#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5x n ASP 4 N 0.00 0.00 -4.63 0.00 10.43 0.54 -4.78 116.55 118.11 1n5x n ASP 4 Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 1n5x n ASP 4 Cb 0.00 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 42.92 1n5x n ASP 4 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1n5x s GLU 5 N 0.00 4.04 -0.26 -1.24 2.12 -1.26 -4.49 118.70 117.61 1n5x s GLU 5 Ca 0.00 0.83 -0.15 0.00 0.36 0.00 0.00 54.97 56.01 1n5x s GLU 5 Cb 0.00 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1n5x s GLU 5 CO 0.00 -0.72 0.40 -1.17 -0.54 0.00 0.00 175.26 173.23 1n5x s LEU 6 N 3.16 4.06 -0.18 2.70 2.96 -0.14 -4.98 118.68 126.26 1n5x s LEU 6 Ca 0.37 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1n5x s LEU 6 Cb -0.14 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.11 1n5x s LEU 6 CO 0.12 -0.18 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.16 1n5x s VAL 7 N 1.98 1.62 0.25 1.68 1.01 -1.26 -0.60 120.40 125.08 1n5x s VAL 7 Ca 0.17 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1n5x s VAL 7 Cb -0.16 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1n5x s VAL 7 CO 0.09 0.29 0.32 0.72 0.00 0.00 0.00 175.10 176.52 1n5x s PHE 8 N 1.43 0.93 0.07 5.22 -0.12 -0.79 0.16 117.98 124.88 1n5x s PHE 8 Ca 0.01 -1.18 0.09 0.00 -0.05 0.00 0.00 56.93 55.81 1n5x s PHE 8 Cb -0.15 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 1n5x s PHE 8 CO -0.09 -0.86 -0.22 -0.06 -0.05 0.00 0.00 175.22 173.94 1n5x s PHE 9 N -3.87 2.44 -0.19 3.49 0.40 -0.88 0.87 117.98 120.24 1n5x s PHE 9 Ca 0.32 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1n5x s PHE 9 Cb 0.03 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.23 1n5x s PHE 9 CO 0.14 0.26 0.01 0.08 0.70 0.00 0.00 175.22 176.40 1n5x s VAL 10 N -0.95 0.77 -1.31 -0.44 1.01 0.10 0.58 120.40 120.15 1n5x s VAL 10 Ca 0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1n5x s VAL 10 Cb -0.10 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1n5x s VAL 10 CO 0.05 -0.13 1.10 0.59 0.00 0.00 0.00 175.10 176.70 1n5x n ASN 11 N 4.96 -4.61 0.00 3.32 3.02 0.50 -2.40 115.26 120.06 1n5x n ASN 11 Ca -0.10 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1n5x n ASN 11 Cb 0.47 -4.98 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 1n5x n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n5x n GLY 12 N -1.68 2.34 3.73 7.41 0.00 -1.26 -5.00 105.19 110.73 1n5x n GLY 12 Ca -0.10 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1n5x n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n5x s LYS 13 N 0.00 4.68 0.01 1.61 2.20 -1.01 -4.95 119.74 122.28 1n5x s LYS 13 Ca 0.00 1.48 -0.30 0.00 -0.36 0.00 0.00 55.97 56.79 1n5x s LYS 13 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1n5x s LYS 13 CO 0.00 0.18 0.98 0.21 -0.36 0.00 0.00 175.35 176.36 1n5x s LYS 14 N 0.05 4.57 -0.10 4.03 2.20 -1.26 -0.72 119.74 128.51 1n5x s LYS 14 Ca 0.48 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 1n5x s LYS 14 Cb -0.24 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1n5x s LYS 14 CO 0.30 -0.03 -0.09 0.08 -0.36 0.00 0.00 175.35 175.25 1n5x s VAL 15 N 0.92 3.45 -0.33 4.02 1.01 0.25 -4.96 120.40 124.76 1n5x s VAL 15 Ca 0.52 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1n5x s VAL 15 Cb -0.21 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 33.84 1n5x s VAL 15 CO 0.28 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.33 1n5x s VAL 16 N -0.22 1.47 -0.37 2.92 1.01 -1.26 -1.89 120.40 122.06 1n5x s VAL 16 Ca 0.02 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.01 1n5x s VAL 16 Cb -0.13 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1n5x s VAL 16 CO 0.03 -0.65 0.39 -0.70 0.00 0.00 0.00 175.10 174.17 1n5x s GLU 17 N 1.28 3.42 0.00 2.72 2.56 0.23 -4.94 118.70 123.97 1n5x s GLU 17 Ca 0.11 -0.52 0.28 0.00 0.00 0.00 0.00 54.97 54.84 1n5x s GLU 17 Cb -0.18 -3.86 1.03 0.00 2.00 0.00 0.00 34.13 33.13 1n5x s GLU 17 CO -0.17 -0.63 1.77 1.63 -0.56 0.00 0.00 175.26 177.29 1n5x n LYS 18 N 5.46 0.15 -2.82 4.30 5.02 -1.26 -0.97 118.16 128.04 1n5x n LYS 18 Ca -0.08 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.03 1n5x n LYS 18 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 1n5x n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n5x n ASN 19 N -1.38 1.50 -4.70 4.39 3.02 -1.26 -4.65 115.26 112.17 1n5x n ASN 19 Ca 0.08 -2.88 -0.43 0.00 -0.03 0.00 0.00 54.58 51.32 1n5x n ASN 19 Cb 0.32 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1n5x n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n5x n ALA 20 N 0.02 2.37 -2.72 5.41 0.00 -1.26 -4.96 120.51 119.38 1n5x n ALA 20 Ca 0.16 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.64 1n5x n ALA 20 Cb 0.75 -2.48 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 1n5x n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n5x s ASP 21 N 1.17 5.79 0.56 0.00 -1.08 -1.26 -3.94 116.67 117.91 1n5x s ASP 21 Ca 0.77 -0.05 0.38 0.00 -0.52 0.00 0.00 52.55 53.13 1n5x s ASP 21 Cb -0.56 -2.07 1.53 0.00 -1.46 0.00 0.00 42.92 40.36 1n5x s ASP 21 CO 0.34 -0.04 1.71 -0.65 0.52 0.00 0.00 175.17 177.05 1n5x h PRO 22 N 8.26 0.00 -0.01 4.34 0.11 -1.89 0.30 132.00 143.11 1n5x h PRO 22 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n5x h PRO 22 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1n5x h PRO 22 CO 0.57 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 1n5x n GLU 23 N -3.97 1.22 -2.98 1.05 1.02 -1.26 -4.80 120.64 110.91 1n5x n GLU 23 Ca 0.28 -0.32 -0.40 0.00 -0.02 0.00 0.00 57.16 56.70 1n5x n GLU 23 Cb 1.41 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 31.32 1n5x n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1n5x s THR 24 N -1.99 5.00 0.38 2.62 2.01 0.11 -5.04 115.64 118.72 1n5x s THR 24 Ca 0.42 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.94 1n5x s THR 24 Cb 0.20 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1n5x s THR 24 CO 0.34 0.19 0.61 0.42 -0.69 0.00 0.00 174.62 175.49 1n5x s THR 25 N 1.14 5.05 0.22 -0.82 -4.23 -1.26 -1.41 115.64 114.33 1n5x s THR 25 Ca 0.39 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1n5x s THR 25 Cb -0.18 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 69.93 1n5x s THR 25 CO 0.18 -0.62 1.74 0.25 -0.54 0.00 0.00 174.62 175.63 1n5x h LEU 26 N 0.68 0.98 -0.84 4.79 5.85 -0.10 -2.18 115.31 124.49 1n5x h LEU 26 Ca -0.49 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.11 1n5x h LEU 26 Cb 1.21 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1n5x h LEU 26 CO 0.62 0.95 0.49 0.25 -0.34 0.00 0.00 178.44 180.41 1n5x h LEU 27 N 0.98 0.73 -0.25 2.25 5.85 -1.53 0.19 115.31 123.53 1n5x h LEU 27 Ca 0.20 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 1n5x h LEU 27 Cb 0.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1n5x h LEU 27 CO 0.00 0.44 -0.56 0.00 -0.34 0.00 0.00 178.44 177.98 1n5x h ALA 28 N 1.44 0.41 0.04 1.25 0.00 -1.80 -2.38 119.26 118.22 1n5x h ALA 28 Ca 0.39 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n5x h ALA 28 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n5x h ALA 28 CO -0.22 0.63 -0.02 -0.92 0.00 0.00 0.00 179.25 178.72 1n5x h TYR 29 N 0.59 -0.05 -0.80 0.00 3.20 -0.71 0.37 116.97 119.56 1n5x h TYR 29 Ca 0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1n5x h TYR 29 Cb 1.17 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 1n5x h TYR 29 CO 0.08 0.07 0.52 -0.07 -1.64 0.00 0.00 178.16 177.12 1n5x h LEU 30 N -0.16 0.78 0.00 2.82 3.38 -0.69 -0.55 115.31 120.89 1n5x h LEU 30 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1n5x h LEU 30 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n5x h LEU 30 CO 0.01 0.51 -0.45 0.03 0.09 0.00 0.00 178.44 178.62 1n5x h ARG 31 N 0.89 0.00 0.07 1.13 3.08 -1.07 0.31 114.38 118.79 1n5x h ARG 31 Ca 0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 1n5x h ARG 31 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1n5x h ARG 31 CO -0.12 0.95 -0.03 0.00 -1.07 0.00 0.00 179.97 179.70 1n5x h ARG 32 N -1.00 -0.09 -0.30 0.04 2.47 -0.29 -3.21 114.38 112.00 1n5x h ARG 32 Ca -0.12 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1n5x h ARG 32 Cb 1.07 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1n5x h ARG 32 CO -0.07 -0.06 -0.14 -0.22 0.56 0.00 0.00 179.97 180.03 1n5x h LYS 33 N -0.40 0.63 -0.03 0.04 1.63 -1.52 -3.31 116.57 113.62 1n5x h LYS 33 Ca -0.01 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1n5x h LYS 33 Cb 0.07 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1n5x h LYS 33 CO 0.02 0.86 0.00 1.28 -3.45 0.00 0.00 179.45 178.15 1n5x n LEU 34 N -4.40 2.10 -1.86 5.20 4.77 -0.27 -4.97 117.00 117.58 1n5x n LEU 34 Ca -0.03 -0.71 -0.17 0.00 -0.03 0.00 0.00 56.01 55.07 1n5x n LEU 34 Cb 0.37 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1n5x n LEU 34 CO 0.42 0.35 -0.18 0.61 -1.33 0.00 0.00 177.39 177.26 1n5x n GLY 35 N 1.25 0.76 3.29 -0.72 0.00 -1.10 -4.92 105.19 103.74 1n5x n GLY 35 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1n5x n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5x s LEU 36 N -4.85 6.33 0.00 0.99 1.43 0.11 -4.91 118.68 117.78 1n5x s LEU 36 Ca 0.00 -3.17 0.05 0.00 -1.03 0.00 0.00 54.13 49.98 1n5x s LEU 36 Cb 0.00 -2.14 0.32 0.00 0.03 0.00 0.00 46.19 44.39 1n5x s LEU 36 CO 0.00 -0.40 1.05 0.54 0.23 0.00 0.00 176.35 177.77 1n5x n ARG 37 N 3.25 0.83 -0.31 1.70 3.00 -1.26 -3.92 116.66 119.95 1n5x n ARG 37 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.99 1n5x n ARG 37 Cb 0.42 -1.10 0.12 0.00 0.00 0.00 0.00 32.46 31.90 1n5x n ARG 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1n5x h GLY 38 N 4.79 1.29 -4.94 -0.13 0.00 -1.91 -3.39 103.07 98.76 1n5x h GLY 38 Ca 0.00 -0.57 -0.57 0.00 0.00 0.00 0.00 47.33 46.19 1n5x h GLY 38 CO 0.00 0.55 0.73 -1.59 0.00 0.00 0.00 176.54 176.22 1n5x s THR 39 N -5.82 4.63 0.41 4.70 2.01 -1.25 -4.82 115.64 115.50 1n5x s THR 39 Ca -0.12 1.94 0.08 0.00 0.31 0.00 0.00 61.69 63.89 1n5x s THR 39 Cb 0.17 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1n5x s THR 39 CO 0.82 -0.10 0.56 -0.54 -0.69 0.00 0.00 174.62 174.67 1n5x s LYS 40 N 2.75 2.88 -0.21 4.92 -0.14 -0.94 -4.91 119.74 124.09 1n5x s LYS 40 Ca 0.48 -1.19 -0.02 0.00 -1.36 0.00 0.00 55.97 53.88 1n5x s LYS 40 Cb -0.18 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.21 1n5x s LYS 40 CO 0.12 -0.22 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.24 1n5x s LEU 41 N -4.33 2.74 0.00 3.17 2.96 -1.26 -3.50 118.68 118.45 1n5x s LEU 41 Ca 0.53 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1n5x s LEU 41 Cb -0.10 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1n5x s LEU 41 CO 0.33 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 1n5x n GLY 42 N 4.73 0.74 0.00 7.98 0.00 -1.26 -4.78 105.19 112.60 1n5x n GLY 42 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1n5x n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5x n GLY 44 N -1.13 0.48 0.38 0.00 0.00 -1.26 -4.51 105.19 99.15 1n5x n GLY 44 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1n5x n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n5x n GLU 45 N -1.91 1.02 -0.70 1.61 1.02 -1.26 -4.85 120.64 115.56 1n5x n GLU 45 Ca 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 1n5x n GLU 45 Cb 0.10 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1n5x n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n5x n GLY 46 N 0.72 0.72 0.09 0.62 0.00 -1.26 -4.96 105.19 101.11 1n5x n GLY 46 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1n5x n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5x n GLY 47 N -2.47 -1.11 0.08 -0.02 0.00 -1.26 -4.55 105.19 95.86 1n5x n GLY 47 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1n5x n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5x n GLY 49 N 1.59 0.68 0.00 0.00 0.00 -0.94 -0.24 105.19 106.28 1n5x n GLY 49 Ca -0.18 -0.84 0.14 0.00 0.00 0.00 0.00 46.02 45.13 1n5x n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5x n ALA 50 N 1.07 2.40 -1.10 4.61 0.00 -1.26 -2.84 120.51 123.39 1n5x n ALA 50 Ca -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1n5x n ALA 50 Cb 0.13 -1.46 0.21 0.00 0.00 0.00 0.00 19.45 18.33 1n5x n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5x s THR 52 N -2.92 3.07 0.11 0.00 2.01 -1.13 -0.99 115.64 115.79 1n5x s THR 52 Ca 0.39 0.77 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1n5x s THR 52 Cb 0.33 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1n5x s THR 52 CO 0.05 0.06 -0.02 0.68 -0.69 0.00 0.00 174.62 174.71 1n5x s VAL 53 N 1.04 0.48 -0.08 3.82 -7.23 -0.75 -4.62 120.40 113.05 1n5x s VAL 53 Ca 0.66 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 1n5x s VAL 53 Cb -0.39 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1n5x s VAL 53 CO 0.31 -0.72 0.12 -0.32 -0.31 0.00 0.00 175.10 174.18 1n5x s MET 54 N -3.91 3.32 -0.11 4.82 1.75 0.03 -2.03 119.30 123.16 1n5x s MET 54 Ca 0.16 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.39 1n5x s MET 54 Cb 0.06 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.67 1n5x s MET 54 CO -0.02 0.74 -0.23 -0.51 -0.65 0.00 0.00 175.02 174.35 1n5x s LEU 55 N -1.23 2.14 -0.02 4.11 1.43 0.09 -0.04 118.68 125.16 1n5x s LEU 55 Ca 0.18 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1n5x s LEU 55 Cb -0.12 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1n5x s LEU 55 CO 0.07 0.14 -0.22 -0.44 0.23 0.00 0.00 176.35 176.13 1n5x s SER 56 N 0.48 2.57 0.17 2.29 0.01 0.21 -1.22 113.70 118.20 1n5x s SER 56 Ca -0.15 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 1n5x s SER 56 Cb -0.17 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.78 1n5x s SER 56 CO 0.06 0.27 0.46 -1.59 0.41 0.00 0.00 173.24 172.84 1n5x s LYS 57 N -0.49 1.26 -0.39 12.44 -2.85 -0.78 -0.88 119.74 128.05 1n5x s LYS 57 Ca 0.08 -0.86 -0.19 0.00 -1.00 0.00 0.00 55.97 53.99 1n5x s LYS 57 Cb -0.09 0.49 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1n5x s LYS 57 CO -0.01 -0.52 0.56 -0.47 0.10 0.00 0.00 175.35 175.02 1n5x s TYR 58 N -3.87 3.13 -0.11 1.78 5.04 -1.26 -0.44 117.35 121.63 1n5x s TYR 58 Ca 0.09 0.02 -0.20 0.00 -2.44 0.00 0.00 57.07 54.53 1n5x s TYR 58 Cb 0.00 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 1n5x s TYR 58 CO -0.05 -0.70 0.57 0.34 -1.34 0.00 0.00 175.55 174.38 1n5x s ASP 59 N 1.86 6.79 -0.22 4.32 2.15 -0.08 -4.96 116.67 126.55 1n5x s ASP 59 Ca 0.20 0.95 -0.11 0.00 0.43 0.00 0.00 52.55 54.01 1n5x s ASP 59 Cb -0.15 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.08 1n5x s ASP 59 CO 0.16 -0.07 0.19 -0.60 -0.17 0.00 0.00 175.17 174.68 1n5x s ARG 60 N 0.83 4.13 0.00 4.34 6.06 -1.26 -1.03 118.95 132.02 1n5x s ARG 60 Ca 0.30 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 1n5x s ARG 60 Cb -0.16 -3.50 0.00 0.00 0.06 0.00 0.00 34.95 31.35 1n5x s ARG 60 CO 0.13 0.13 0.00 -0.11 -2.50 0.00 0.00 175.30 172.95 1n5x n LEU 61 N 4.04 0.00 -0.00 -0.88 0.00 -1.26 -4.74 117.00 114.15 1n5x n LEU 61 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 56.01 55.89 1n5x n LEU 61 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.91 1n5x n LEU 61 CO 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 177.39 177.42 1n5x n GLN 62 N 0.00 2.28 -3.77 1.96 6.02 -1.24 -5.01 117.38 117.62 1n5x n GLN 62 Ca 0.00 -0.03 -0.35 0.00 -0.01 0.00 0.00 57.00 56.62 1n5x n GLN 62 Cb 0.00 -0.95 0.04 0.00 1.02 0.00 0.00 30.24 30.34 1n5x n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1n5x n ASP 63 N -1.44 -5.02 -3.46 1.08 4.64 -0.20 -4.96 116.55 107.19 1n5x n ASP 63 Ca -0.00 -1.08 -0.11 0.00 -1.38 0.00 0.00 54.79 52.22 1n5x n ASP 63 Cb 0.10 -3.03 -0.02 0.00 -1.04 0.00 0.00 41.12 37.13 1n5x n ASP 63 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1n5x s LYS 64 N -6.29 1.10 0.03 -0.67 2.20 -0.99 -5.01 119.74 110.12 1n5x s LYS 64 Ca 0.47 -0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.49 1n5x s LYS 64 Cb -0.19 0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1n5x s LYS 64 CO 0.88 -0.47 0.79 0.42 -0.36 0.00 0.00 175.35 176.61 1n5x s ILE 65 N -3.27 4.78 0.18 5.43 -1.09 -1.26 -0.90 121.20 125.07 1n5x s ILE 65 Ca 0.01 1.66 0.10 0.00 -2.23 0.00 0.00 60.65 60.20 1n5x s ILE 65 Cb -0.01 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1n5x s ILE 65 CO -0.10 0.33 -0.18 0.27 -1.23 0.00 0.00 174.94 174.04 1n5x s ILE 66 N 0.17 2.74 -0.06 2.92 -4.36 0.42 -4.94 121.20 118.09 1n5x s ILE 66 Ca 0.40 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1n5x s ILE 66 Cb -0.20 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.20 1n5x s ILE 66 CO 0.23 -0.10 -0.08 -1.00 0.24 0.00 0.00 174.94 174.23 1n5x s HIS 67 N -1.65 1.11 0.06 1.37 3.76 -1.26 -1.86 115.29 116.82 1n5x s HIS 67 Ca 0.22 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.65 1n5x s HIS 67 Cb -0.08 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1n5x s HIS 67 CO 0.12 -0.26 0.20 -0.59 -0.85 0.00 0.00 174.74 173.36 1n5x s PHE 68 N 0.91 0.09 0.45 1.40 -0.12 -0.36 -4.90 117.98 115.45 1n5x s PHE 68 Ca -0.11 -0.40 -0.04 0.00 -0.05 0.00 0.00 56.93 56.34 1n5x s PHE 68 Cb -0.15 -0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1n5x s PHE 68 CO 0.01 -0.49 0.73 -1.54 -0.05 0.00 0.00 175.22 173.88 1n5x s SER 69 N -2.44 6.23 -0.07 1.98 1.04 -1.26 -0.73 113.70 118.45 1n5x s SER 69 Ca -0.01 0.79 -0.31 0.00 0.48 0.00 0.00 55.95 56.91 1n5x s SER 69 Cb 0.02 -2.16 0.08 0.00 0.10 0.00 0.00 66.02 64.06 1n5x s SER 69 CO -0.07 -0.54 0.74 0.00 0.98 0.00 0.00 173.24 174.35 1n5x s ALA 70 N -2.65 -1.80 -0.38 5.32 0.00 -0.86 -4.49 121.76 116.90 1n5x s ALA 70 Ca 0.46 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.56 1n5x s ALA 70 Cb -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1n5x s ALA 70 CO 0.43 -0.36 0.82 -0.80 0.00 0.00 0.00 175.76 175.85 1n5x s ASN 71 N -1.14 6.56 0.55 0.00 0.01 -1.26 -1.81 114.94 117.84 1n5x s ASN 71 Ca -0.09 0.33 0.22 0.00 -0.71 0.00 0.00 52.86 52.61 1n5x s ASN 71 Cb -0.00 -2.41 1.48 0.00 0.41 0.00 0.00 41.25 40.73 1n5x s ASN 71 CO 0.08 -0.80 2.17 0.00 -1.51 0.00 0.00 177.10 177.05 1n5x h ALA 72 N 8.57 1.86 0.00 0.60 0.00 -1.43 -2.23 119.26 126.64 1n5x h ALA 72 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1n5x h ALA 72 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1n5x h ALA 72 CO 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 180.14 1n5x n LEU 74 N -2.61 0.58 -4.59 0.00 4.77 -0.86 -4.90 117.00 109.39 1n5x n LEU 74 Ca 0.01 -0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 54.97 1n5x n LEU 74 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1n5x n LEU 74 CO 0.22 0.13 0.82 0.00 -1.33 0.00 0.00 177.39 177.23 1n5x s ALA 75 N -1.47 3.30 0.42 -1.18 0.00 -1.07 -4.73 121.76 117.04 1n5x s ALA 75 Ca 0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 1n5x s ALA 75 Cb 0.05 -3.65 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 1n5x s ALA 75 CO 0.25 -1.89 1.11 -2.14 0.00 0.00 0.00 175.76 173.09 1n5x s PRO 76 N 3.78 3.98 0.34 0.00 0.02 -1.26 0.11 135.00 141.97 1n5x s PRO 76 Ca 0.40 1.67 0.13 0.00 0.02 0.00 0.00 61.00 63.22 1n5x s PRO 76 Cb -0.10 -2.51 0.61 0.00 0.02 0.00 0.00 34.50 32.52 1n5x s PRO 76 CO 0.24 -0.33 1.74 -0.84 -0.33 0.00 0.00 177.00 177.48 1n5x h ILE 77 N 2.08 1.24 0.00 2.83 3.07 -1.52 -2.88 117.51 122.34 1n5x h ILE 77 Ca -0.49 -1.59 0.00 0.00 1.55 0.00 0.00 64.86 64.33 1n5x h ILE 77 Cb 1.23 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 39.66 1n5x h ILE 77 CO 0.61 0.44 0.00 0.00 -1.05 0.00 0.00 178.15 178.16 1n5x n THR 79 N -1.01 0.00 -0.47 0.00 -2.24 -1.09 -4.51 114.28 104.97 1n5x n THR 79 Ca 0.05 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1n5x n THR 79 Cb 0.02 1.18 0.34 0.00 -2.10 0.00 0.00 70.33 69.78 1n5x n THR 79 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n5x n LEU 80 N -0.23 4.49 -4.68 3.22 4.77 0.13 -4.95 117.00 119.75 1n5x n LEU 80 Ca 0.07 -2.26 -0.44 0.00 -0.03 0.00 0.00 56.01 53.34 1n5x n LEU 80 Cb 0.35 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1n5x n LEU 80 CO 0.23 0.79 1.48 1.57 -1.33 0.00 0.00 177.39 180.13 1n5x n HIS 81 N 1.13 2.50 -2.31 -1.77 -0.00 -1.26 -1.48 115.22 112.03 1n5x n HIS 81 Ca 0.25 -0.13 -0.15 0.00 0.46 0.00 0.00 57.72 58.15 1n5x n HIS 81 Cb 0.83 -2.71 -0.01 0.00 -0.12 0.00 0.00 29.99 27.98 1n5x n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1n5x n HIS 82 N 6.04 -0.75 -5.05 1.57 8.25 0.12 -4.99 115.22 120.43 1n5x n HIS 82 Ca 0.19 0.02 -0.32 0.00 -0.26 0.00 0.00 57.72 57.35 1n5x n HIS 82 Cb 0.35 -3.14 -0.14 0.00 1.12 0.00 0.00 29.99 28.18 1n5x n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1n5x s VAL 83 N -2.76 2.66 -0.34 1.59 1.01 -0.55 -4.75 120.40 117.25 1n5x s VAL 83 Ca 0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1n5x s VAL 83 Cb -0.01 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1n5x s VAL 83 CO 0.01 0.58 0.27 0.00 0.00 0.00 0.00 175.10 175.97 1n5x s ALA 84 N -0.57 3.50 0.19 5.51 0.00 -0.05 -2.07 121.76 128.26 1n5x s ALA 84 Ca 0.08 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 1n5x s ALA 84 Cb -0.11 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 1n5x s ALA 84 CO 0.01 -1.02 0.64 0.08 0.00 0.00 0.00 175.76 175.46 1n5x s VAL 85 N 1.78 4.71 -0.12 0.00 1.01 0.20 -0.62 120.40 127.36 1n5x s VAL 85 Ca 0.07 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 1n5x s VAL 85 Cb -0.17 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1n5x s VAL 85 CO 0.11 0.22 -0.05 -0.89 0.00 0.00 0.00 175.10 174.48 1n5x s THR 86 N -1.51 0.92 0.55 3.92 2.01 0.94 -0.37 115.64 122.10 1n5x s THR 86 Ca 0.41 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.18 1n5x s THR 86 Cb -0.16 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.40 1n5x s THR 86 CO 0.20 0.28 0.62 0.42 -0.69 0.00 0.00 174.62 175.45 1n5x s THR 87 N 1.74 2.04 0.19 -0.82 -4.23 -1.26 -0.79 115.64 112.50 1n5x s THR 87 Ca 0.04 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.23 1n5x s THR 87 Cb -0.13 -2.24 0.10 0.00 1.34 0.00 0.00 72.50 71.57 1n5x s THR 87 CO -0.08 0.00 1.79 1.62 -0.54 0.00 0.00 174.62 177.41 1n5x h VAL 88 N 0.46 0.95 0.00 2.29 3.04 -1.89 -0.31 116.25 120.78 1n5x h VAL 88 Ca -0.33 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1n5x h VAL 88 Cb 1.29 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1n5x h VAL 88 CO 0.48 0.10 0.00 -1.84 -1.01 0.00 0.00 177.57 175.30 1n5x n GLU 89 N -4.87 0.05 -0.11 4.17 0.00 -1.26 -2.52 120.64 116.11 1n5x n GLU 89 Ca 0.06 0.26 0.10 0.00 0.00 0.00 0.00 57.16 57.57 1n5x n GLU 89 Cb 0.15 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.42 1n5x n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n5x n GLY 90 N -0.23 0.48 0.00 -1.84 0.00 -0.13 -4.06 105.19 99.41 1n5x n GLY 90 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1n5x n GLY 90 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n5x n ILE 91 N 0.47 0.00 0.00 -0.61 -5.35 -1.05 -4.90 119.36 107.92 1n5x n ILE 91 Ca 0.16 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1n5x n ILE 91 Cb 0.35 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 1n5x n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n5x n GLY 92 N 0.63 0.20 3.61 3.28 0.00 -1.25 -4.19 105.19 107.47 1n5x n GLY 92 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1n5x n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n5x s SER 93 N 0.00 -0.09 0.51 1.61 1.04 -1.00 -4.60 113.70 111.18 1n5x s SER 93 Ca 0.00 -0.03 0.32 0.00 0.48 0.00 0.00 55.95 56.72 1n5x s SER 93 Cb 0.00 0.11 1.25 0.00 0.10 0.00 0.00 66.02 67.48 1n5x s SER 93 CO 0.00 -0.19 1.93 0.71 0.98 0.00 0.00 173.24 176.67 1n5x h THR 94 N 2.00 0.00 0.00 2.02 1.35 -1.87 0.25 112.91 116.66 1n5x h THR 94 Ca -0.13 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1n5x h THR 94 Cb 1.16 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1n5x h THR 94 CO 0.23 0.00 -0.02 0.29 -0.25 0.00 0.00 175.52 175.78 1n5x n LYS 95 N -3.01 0.16 0.00 4.72 5.02 -1.26 -4.62 118.16 119.17 1n5x n LYS 95 Ca 0.01 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1n5x n LYS 95 Cb 0.32 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1n5x n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n5x n THR 96 N -1.97 0.00 -3.62 -0.18 -2.24 -0.94 -5.14 114.28 100.19 1n5x n THR 96 Ca 0.06 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1n5x n THR 96 Cb 0.40 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 1n5x n THR 96 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1n5x s ARG 97 N -0.42 0.25 0.63 -0.78 3.52 0.83 -4.97 118.95 118.02 1n5x s ARG 97 Ca 0.00 0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 55.89 1n5x s ARG 97 Cb 0.00 0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.45 1n5x s ARG 97 CO 0.00 -0.06 1.11 -0.51 -0.81 0.00 0.00 175.30 175.03 1n5x s LEU 98 N 1.32 3.47 0.36 -0.88 1.43 -1.14 -2.37 118.68 120.87 1n5x s LEU 98 Ca -0.08 2.02 -0.14 0.00 -1.03 0.00 0.00 54.13 54.90 1n5x s LEU 98 Cb -0.03 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.55 1n5x s LEU 98 CO -0.13 -1.51 0.76 -2.28 0.23 0.00 0.00 176.35 173.42 1n5x s HIS 99 N -2.23 3.41 0.31 0.29 5.65 -1.26 -4.81 115.29 116.64 1n5x s HIS 99 Ca 0.68 1.17 0.07 0.00 0.25 0.00 0.00 55.06 57.23 1n5x s HIS 99 Cb -0.21 -2.52 0.86 0.00 -1.18 0.00 0.00 32.58 29.53 1n5x s HIS 99 CO 0.38 0.00 1.65 -1.35 -0.65 0.00 0.00 174.74 174.77 1n5x h PRO 100 N 1.85 0.24 0.12 2.88 0.11 -1.92 0.20 132.00 135.48 1n5x h PRO 100 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n5x h PRO 100 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1n5x h PRO 100 CO 0.65 0.16 -0.08 0.28 -0.21 0.00 0.00 178.00 178.80 1n5x h VAL 101 N 0.24 0.83 -0.31 3.15 2.07 -1.94 -0.28 116.25 120.01 1n5x h VAL 101 Ca 0.63 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.08 1n5x h VAL 101 Cb 1.34 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1n5x h VAL 101 CO -0.65 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 178.41 1n5x h GLN 102 N -0.20 0.52 0.02 1.57 4.20 -1.32 -2.48 115.11 117.42 1n5x h GLN 102 Ca -0.01 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1n5x h GLN 102 Cb 0.17 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1n5x h GLN 102 CO 0.01 0.62 -0.01 1.49 -0.67 0.00 0.00 178.83 180.27 1n5x h GLU 103 N 0.49 -0.03 -0.07 1.46 4.81 -0.44 -2.96 114.58 117.83 1n5x h GLU 103 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1n5x h GLU 103 Cb 0.46 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1n5x h GLU 103 CO 0.03 0.33 0.04 0.00 -0.73 0.00 0.00 179.01 178.67 1n5x h ARG 104 N -0.39 0.11 -0.58 1.92 3.08 -1.01 -0.71 114.38 116.80 1n5x h ARG 104 Ca -0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1n5x h ARG 104 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1n5x h ARG 104 CO 0.00 0.18 0.38 0.97 -1.07 0.00 0.00 179.97 180.44 1n5x h ILE 105 N 0.00 1.05 -0.03 2.04 2.10 -1.54 0.13 117.51 121.26 1n5x h ILE 105 Ca 0.03 -0.22 -0.03 0.00 1.08 0.00 0.00 64.86 65.71 1n5x h ILE 105 Cb 0.11 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1n5x h ILE 105 CO -0.00 0.12 -0.12 0.00 -1.08 0.00 0.00 178.15 177.06 1n5x h ALA 106 N 1.67 0.05 0.00 0.18 0.00 -1.31 0.54 119.26 120.39 1n5x h ALA 106 Ca 0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1n5x h ALA 106 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n5x h ALA 106 CO -0.07 -0.03 -0.10 0.87 0.00 0.00 0.00 179.25 179.92 1n5x h LYS 107 N -0.47 0.00 -0.07 0.00 1.57 -0.89 -2.91 116.57 113.80 1n5x h LYS 107 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n5x h LYS 107 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1n5x h LYS 107 CO 0.02 0.10 0.00 0.43 -0.57 0.00 0.00 179.45 179.43 1n5x n SER 108 N -3.21 1.02 -1.48 0.86 7.64 0.43 -4.76 113.62 114.11 1n5x n SER 108 Ca 0.01 -1.48 -0.14 0.00 1.01 0.00 0.00 58.87 58.27 1n5x n SER 108 Cb 0.39 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1n5x n SER 108 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n5x n HIS 109 N -0.15 -0.55 1.05 1.43 8.25 -1.10 -4.76 115.22 119.39 1n5x n HIS 109 Ca 0.18 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.67 1n5x n HIS 109 Cb 0.25 -2.87 0.11 0.00 1.12 0.00 0.00 29.99 28.60 1n5x n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5x n GLY 110 N -1.06 0.53 2.80 -1.41 0.00 0.18 -4.75 105.19 101.48 1n5x n GLY 110 Ca -0.16 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 1n5x n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n5x s SER 111 N -0.83 0.30 0.00 1.61 0.15 -1.25 -4.66 113.70 109.03 1n5x s SER 111 Ca 0.16 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1n5x s SER 111 Cb 0.09 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1n5x s SER 111 CO 0.09 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.42 1n5x n GLN 112 N 4.18 0.00 0.10 5.44 6.02 -1.26 -4.77 117.38 127.09 1n5x n GLN 112 Ca -0.27 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1n5x n GLN 112 Cb 0.50 -0.04 0.13 0.00 1.02 0.00 0.00 30.24 31.85 1n5x n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n5x n GLY 114 N 1.25 0.22 0.19 0.00 0.00 -1.26 -4.76 105.19 100.82 1n5x n GLY 114 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1n5x n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n5x h PHE 115 N 0.00 0.00 0.00 1.61 3.57 -1.91 -2.66 116.94 117.55 1n5x h PHE 115 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n5x h PHE 115 Cb 0.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1n5x h PHE 115 CO 0.27 0.37 -0.93 0.00 -2.23 0.00 0.00 178.31 175.79 1n5x h THR 117 N 0.00 0.58 0.17 0.00 2.02 -1.76 -2.29 112.91 111.63 1n5x h THR 117 Ca 0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1n5x h THR 117 Cb 0.99 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1n5x h THR 117 CO 0.00 0.07 -0.12 -0.65 0.37 0.00 0.00 175.52 175.19 1n5x h PRO 118 N 0.39 -0.27 -0.38 6.66 0.11 -1.72 -0.51 132.00 136.28 1n5x h PRO 118 Ca 0.45 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 1n5x h PRO 118 Cb 0.75 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1n5x h PRO 118 CO -0.46 -0.18 0.22 0.78 -0.21 0.00 0.00 178.00 178.14 1n5x h GLY 119 N -0.29 0.54 1.83 -0.55 0.00 -1.66 -1.66 103.07 101.29 1n5x h GLY 119 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 1n5x h GLY 119 CO 0.00 0.21 -0.73 -2.22 0.00 0.00 0.00 176.54 173.80 1n5x h ILE 120 N 0.52 1.46 -0.58 2.60 2.04 -1.21 -1.80 117.51 120.53 1n5x h ILE 120 Ca 0.14 -2.32 -0.09 0.00 1.00 0.00 0.00 64.86 63.58 1n5x h ILE 120 Cb -0.00 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1n5x h ILE 120 CO -0.02 0.68 -0.01 0.58 0.00 0.00 0.00 178.15 179.38 1n5x h VAL 121 N 0.11 1.26 -0.03 1.67 2.07 -0.30 -1.93 116.25 119.10 1n5x h VAL 121 Ca -0.02 -1.14 -0.18 0.00 0.82 0.00 0.00 66.70 66.19 1n5x h VAL 121 Cb 1.29 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1n5x h VAL 121 CO 0.11 0.41 -0.75 0.24 0.02 0.00 0.00 177.57 177.60 1n5x h MET 122 N 0.93 0.24 -0.51 1.57 2.86 -1.21 0.02 114.93 118.83 1n5x h MET 122 Ca 0.17 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 1n5x h MET 122 Cb 0.55 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1n5x h MET 122 CO 0.03 0.88 -0.04 0.77 1.06 0.00 0.00 176.91 179.62 1n5x h SER 123 N 0.16 0.91 0.62 1.22 0.02 -1.14 -0.31 113.55 115.02 1n5x h SER 123 Ca -0.03 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.46 1n5x h SER 123 Cb 1.33 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1n5x h SER 123 CO 0.12 1.02 -0.63 -0.03 -1.14 0.00 0.00 176.83 176.16 1n5x h MET 124 N 0.78 0.01 0.09 3.45 -1.53 -1.31 -2.90 114.93 113.52 1n5x h MET 124 Ca 0.14 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.38 1n5x h MET 124 Cb 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.63 1n5x h MET 124 CO 0.03 0.64 -0.04 -0.92 0.14 0.00 0.00 176.91 176.76 1n5x h TYR 125 N 0.01 -0.11 -0.59 1.39 3.20 -0.63 -2.14 116.97 118.09 1n5x h TYR 125 Ca -0.01 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 1n5x h TYR 125 Cb 1.12 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 39.35 1n5x h TYR 125 CO 0.00 0.28 0.17 1.15 -1.64 0.00 0.00 178.16 178.11 1n5x h THR 126 N -0.53 0.70 0.25 1.81 2.02 -1.09 0.22 112.91 116.29 1n5x h THR 126 Ca -0.01 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1n5x h THR 126 Cb 0.44 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1n5x h THR 126 CO 0.02 0.06 -0.48 0.25 0.37 0.00 0.00 175.52 175.73 1n5x h LEU 127 N 0.31 -1.40 -2.26 2.58 5.85 -1.45 -1.33 115.31 117.62 1n5x h LEU 127 Ca 0.31 0.14 0.03 0.00 0.84 0.00 0.00 57.88 59.20 1n5x h LEU 127 Cb 0.43 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1n5x h LEU 127 CO -0.36 -0.57 0.11 -0.07 -0.34 0.00 0.00 178.44 177.21 1n5x h LEU 128 N -0.81 0.00 -0.07 2.25 3.38 -0.69 0.80 115.31 120.18 1n5x h LEU 128 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n5x h LEU 128 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1n5x h LEU 128 CO -0.20 0.00 0.00 -0.09 0.09 0.00 0.00 178.44 178.24 1n5x h ARG 129 N 0.00 0.00 0.00 1.13 9.65 0.45 -3.00 114.38 122.61 1n5x h ARG 129 Ca 0.05 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.63 1n5x h ARG 129 Cb 0.27 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.79 1n5x h ARG 129 CO -0.00 0.00 -2.14 0.09 2.80 0.00 0.00 179.97 180.72 1n5x n ASN 130 N -2.39 1.83 -3.70 -3.80 3.02 0.53 -4.87 115.26 105.89 1n5x n ASN 130 Ca 0.05 -0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.25 1n5x n ASN 130 Cb 0.43 0.18 -0.16 0.00 -0.61 0.00 0.00 39.78 39.63 1n5x n ASN 130 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1n5x s GLN 131 N -2.40 0.59 0.46 3.52 2.00 0.25 -5.00 119.66 119.08 1n5x s GLN 131 Ca -0.19 -0.61 0.31 0.00 -2.00 0.00 0.00 55.36 52.87 1n5x s GLN 131 Cb 0.06 -1.94 1.33 0.00 0.80 0.00 0.00 33.01 33.27 1n5x s GLN 131 CO 0.55 -0.79 1.92 -1.00 -0.50 0.00 0.00 175.29 175.47 1n5x h PRO 132 N 8.23 0.00 -2.65 1.67 0.13 -1.77 -3.30 132.00 134.31 1n5x h PRO 132 Ca -0.16 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.37 1n5x h PRO 132 Cb 1.08 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.81 1n5x h PRO 132 CO 0.39 0.00 -0.82 -1.21 -0.23 0.00 0.00 178.00 176.13 1n5x s GLU 133 N -3.60 1.47 0.87 0.86 2.02 -1.26 -4.97 118.70 114.09 1n5x s GLU 133 Ca 0.01 -2.53 -0.12 0.00 0.02 0.00 0.00 54.97 52.36 1n5x s GLU 133 Cb 0.09 -2.17 0.11 0.00 0.10 0.00 0.00 34.13 32.26 1n5x s GLU 133 CO 0.47 -1.34 1.13 -1.25 0.02 0.00 0.00 175.26 174.30 1n5x s PRO 134 N -0.44 1.49 0.13 0.39 0.04 -1.25 -4.79 135.00 130.57 1n5x s PRO 134 Ca 0.29 0.35 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1n5x s PRO 134 Cb -0.01 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1n5x s PRO 134 CO -0.17 -1.97 0.28 0.95 0.04 0.00 0.00 177.00 176.13 1n5x s THR 135 N -3.29 5.32 0.52 1.26 -4.23 -1.26 -2.30 115.64 111.66 1n5x s THR 135 Ca 0.63 -0.54 0.31 0.00 -1.18 0.00 0.00 61.69 60.90 1n5x s THR 135 Cb -0.14 -3.71 0.48 0.00 1.34 0.00 0.00 72.50 70.47 1n5x s THR 135 CO 0.53 -0.04 1.86 0.58 -0.54 0.00 0.00 174.62 177.01 1n5x h VAL 136 N 1.74 0.54 -0.03 2.29 2.07 -1.96 -0.51 116.25 120.38 1n5x h VAL 136 Ca -0.47 -0.02 -0.22 0.00 0.82 0.00 0.00 66.70 66.80 1n5x h VAL 136 Cb 1.18 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1n5x h VAL 136 CO 0.70 0.01 -0.90 -0.08 0.02 0.00 0.00 177.57 177.33 1n5x h GLU 137 N 0.06 0.51 -0.03 1.57 4.81 -2.00 -2.80 114.58 116.70 1n5x h GLU 137 Ca 0.46 -0.50 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1n5x h GLU 137 Cb 1.75 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 31.25 1n5x h GLU 137 CO -0.04 1.14 -0.68 0.93 -0.73 0.00 0.00 179.01 179.63 1n5x h GLU 138 N 0.31 0.12 -0.22 1.92 5.08 -1.53 -1.52 114.58 118.73 1n5x h GLU 138 Ca -0.08 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1n5x h GLU 138 Cb 1.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1n5x h GLU 138 CO 0.16 0.75 -0.19 0.82 -1.00 0.00 0.00 179.01 179.56 1n5x h ILE 139 N 0.08 1.24 0.04 3.13 2.04 -1.23 -2.58 117.51 120.23 1n5x h ILE 139 Ca -0.01 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.71 1n5x h ILE 139 Cb 1.21 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1n5x h ILE 139 CO 0.10 0.34 -0.26 -0.08 0.00 0.00 0.00 178.15 178.25 1n5x h GLU 140 N 0.36 0.10 0.00 2.37 4.81 -1.26 -3.26 114.58 117.69 1n5x h GLU 140 Ca 0.06 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1n5x h GLU 140 Cb 0.54 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1n5x h GLU 140 CO 0.04 1.06 0.08 -0.25 -0.73 0.00 0.00 179.01 179.21 1n5x n ASP 141 N -4.46 0.16 0.17 1.04 8.00 -0.59 -1.19 116.55 119.67 1n5x n ASP 141 Ca -0.11 0.51 0.02 0.00 0.71 0.00 0.00 54.79 55.92 1n5x n ASP 141 Cb 0.58 -0.52 0.27 0.00 -0.02 0.00 0.00 41.12 41.43 1n5x n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n5x h ALA 142 N 1.72 1.05 -0.77 2.24 0.00 -1.50 -3.29 119.26 118.71 1n5x h ALA 142 Ca 0.00 -0.44 -0.36 0.00 0.00 0.00 0.00 54.91 54.11 1n5x h ALA 142 Cb 0.16 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.66 1n5x h ALA 142 CO 0.00 0.60 0.38 1.19 0.00 0.00 0.00 179.25 181.42 1n5x n PHE 143 N -3.74 2.40 0.62 0.00 3.01 -0.33 -4.54 117.46 114.88 1n5x n PHE 143 Ca -0.01 -1.63 0.11 0.00 1.01 0.00 0.00 57.45 56.93 1n5x n PHE 143 Cb 0.54 -0.77 0.45 0.00 -0.01 0.00 0.00 39.48 39.69 1n5x n PHE 143 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1n5x n GLN 144 N -0.93 0.10 -0.29 -1.08 6.02 -1.24 -2.34 117.38 117.61 1n5x n GLN 144 Ca 0.48 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.77 1n5x n GLN 144 Cb 1.44 -1.65 0.20 0.00 1.02 0.00 0.00 30.24 31.25 1n5x n GLN 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n5x n GLY 145 N 0.62 3.20 3.29 1.08 0.00 -1.26 -4.45 105.19 107.67 1n5x n GLY 145 Ca 0.04 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1n5x n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n5x s ASN 146 N -1.32 3.21 -0.08 1.61 -0.87 -0.99 -2.20 114.94 114.30 1n5x s ASN 146 Ca 0.31 -0.48 0.05 0.00 -1.57 0.00 0.00 52.86 51.17 1n5x s ASN 146 Cb 0.21 -0.93 -0.00 0.00 -0.02 0.00 0.00 41.25 40.51 1n5x s ASN 146 CO 0.14 0.24 -0.23 -0.76 -2.57 0.00 0.00 177.10 173.92 1n5x s LEU 147 N -0.14 2.03 -0.06 0.60 1.43 0.66 -4.57 118.68 118.63 1n5x s LEU 147 Ca -0.04 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1n5x s LEU 147 Cb -0.14 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 1n5x s LEU 147 CO 0.04 0.18 -0.19 0.00 0.23 0.00 0.00 176.35 176.61 1n5x n ARG 149 N 3.31 1.56 -0.09 0.00 3.00 -1.26 -4.77 116.66 118.42 1n5x n ARG 149 Ca -0.19 -0.67 -0.13 0.00 -0.00 0.00 0.00 57.85 56.86 1n5x n ARG 149 Cb 0.53 -1.31 -0.04 0.00 0.00 0.00 0.00 32.46 31.63 1n5x n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n5x h THR 151 N -0.86 0.00 0.00 0.00 1.35 -1.86 -3.35 112.91 108.19 1n5x h THR 151 Ca -0.18 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1n5x h THR 151 Cb 1.06 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1n5x h THR 151 CO -0.11 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.77 1n5x n GLY 152 N -0.15 0.59 4.71 5.82 0.00 -1.26 -4.14 105.19 110.77 1n5x n GLY 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1n5x n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n5x n TYR 153 N -2.51 0.00 -0.18 1.61 4.02 -1.26 -4.79 117.16 114.04 1n5x n TYR 153 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1n5x n TYR 153 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1n5x n TYR 153 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1n5x h ARG 154 N 0.00 -0.17 -0.82 -0.72 2.43 -1.96 -2.07 114.38 111.08 1n5x h ARG 154 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1n5x h ARG 154 Cb 0.00 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1n5x h ARG 154 CO 0.00 -0.11 0.52 -1.00 -1.51 0.00 0.00 179.97 177.87 1n5x h PRO 155 N -0.17 0.97 -0.61 0.20 0.13 -1.87 -0.19 132.00 130.47 1n5x h PRO 155 Ca 0.22 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.34 1n5x h PRO 155 Cb 0.54 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.41 1n5x h PRO 155 CO -0.65 0.64 0.34 0.82 -0.23 0.00 0.00 178.00 178.92 1n5x h ILE 156 N 1.00 0.99 -0.06 -3.56 2.04 -1.66 -1.16 117.51 115.10 1n5x h ILE 156 Ca 0.33 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.81 1n5x h ILE 156 Cb 0.04 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1n5x h ILE 156 CO -0.12 0.12 -0.68 -0.07 0.00 0.00 0.00 178.15 177.39 1n5x h LEU 157 N 0.64 0.34 -0.22 1.44 3.38 -0.93 -2.79 115.31 117.17 1n5x h LEU 157 Ca 0.26 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1n5x h LEU 157 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1n5x h LEU 157 CO -0.16 0.92 -0.47 -0.61 0.09 0.00 0.00 178.44 178.22 1n5x h GLN 158 N 0.20 0.70 0.07 1.13 4.15 -0.78 -1.64 115.11 118.95 1n5x h GLN 158 Ca -0.02 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1n5x h GLN 158 Cb 1.23 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1n5x h GLN 158 CO 0.11 1.09 -0.04 0.78 -1.93 0.00 0.00 178.83 178.84 1n5x h GLY 159 N 0.41 -0.10 2.00 2.39 0.00 -1.26 -2.70 103.07 103.81 1n5x h GLY 159 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1n5x h GLY 159 CO 0.10 -0.04 0.00 0.74 0.00 0.00 0.00 176.54 177.35 1n5x h PHE 160 N -0.18 0.00 0.00 5.60 0.04 -1.53 -2.78 116.94 118.09 1n5x h PHE 160 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1n5x h PHE 160 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1n5x h PHE 160 CO -0.05 0.00 0.01 -0.09 -0.60 0.00 0.00 178.31 177.58 1n5x h ARG 161 N 0.00 0.00 0.00 1.51 2.43 -0.94 -1.24 114.38 116.14 1n5x h ARG 161 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n5x h ARG 161 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1n5x h ARG 161 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 1n5x n THR 162 N -3.00 0.19 0.07 0.20 -2.24 -1.05 -2.26 114.28 106.20 1n5x n THR 162 Ca -0.03 0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1n5x n THR 162 Cb 0.07 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 1n5x n THR 162 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n5x n PHE 163 N -1.23 0.77 -1.17 4.78 0.99 -0.47 -4.97 117.46 116.18 1n5x n PHE 163 Ca 0.13 0.23 -0.30 0.00 -0.00 0.00 0.00 57.45 57.51 1n5x n PHE 163 Cb 0.17 -0.88 0.22 0.00 -1.00 0.00 0.00 39.48 37.99 1n5x n PHE 163 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1n5x s ALA 164 N -3.35 0.80 0.00 4.37 0.00 -0.96 -4.08 121.76 118.54 1n5x s ALA 164 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1n5x s ALA 164 Cb 0.10 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1n5x s ALA 164 CO 0.82 -3.33 0.00 1.17 0.00 0.00 0.00 175.76 174.42 1n5x n LYS 165 N -4.55 0.00 -0.40 0.00 4.81 -0.97 -4.91 118.16 112.14 1n5x n LYS 165 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1n5x n LYS 165 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1n5x n LYS 165 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1n5x n SER 192 N 7.89 0.00 -4.68 3.14 7.64 -1.26 -5.03 113.62 121.32 1n5x n SER 192 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1n5x n SER 192 Cb 0.00 -0.94 0.15 0.00 -1.01 0.00 0.00 64.21 62.41 1n5x n SER 192 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n5x s PRO 193 N -2.97 1.24 0.10 1.43 0.04 -1.26 -5.05 135.00 128.53 1n5x s PRO 193 Ca 0.00 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.75 1n5x s PRO 193 Cb 0.00 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1n5x s PRO 193 CO 0.00 -2.49 -0.18 -1.54 0.04 0.00 0.00 177.00 172.84 1n5x s SER 194 N -2.46 2.26 0.53 6.66 1.04 -1.26 -4.70 113.70 115.77 1n5x s SER 194 Ca 0.69 -0.70 0.30 0.00 0.48 0.00 0.00 55.95 56.71 1n5x s SER 194 Cb -0.25 -0.11 1.47 0.00 0.10 0.00 0.00 66.02 67.23 1n5x s SER 194 CO 0.55 -0.01 2.06 -0.07 0.98 0.00 0.00 173.24 176.74 1n5x h LEU 195 N 3.96 0.00 -7.19 2.42 3.38 -1.96 -3.46 115.31 112.48 1n5x h LEU 195 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1n5x h LEU 195 Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 1n5x h LEU 195 CO 0.42 0.11 0.06 0.72 0.09 0.00 0.00 178.44 179.84 1n5x s PHE 196 N -4.04 -0.42 -0.37 1.13 -0.12 -1.26 -4.93 117.98 107.97 1n5x s PHE 196 Ca -0.02 0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 57.21 1n5x s PHE 196 Cb 0.12 0.37 0.07 0.00 -0.63 0.00 0.00 43.02 42.95 1n5x s PHE 196 CO 0.57 -0.68 0.15 1.21 -0.05 0.00 0.00 175.22 176.41 1n5x s ASN 197 N -2.17 5.28 0.29 1.98 3.84 -1.26 -4.96 114.94 117.93 1n5x s ASN 197 Ca -0.03 -1.53 0.23 0.00 0.21 0.00 0.00 52.86 51.74 1n5x s ASN 197 Cb -0.00 -1.85 1.06 0.00 -0.55 0.00 0.00 41.25 39.91 1n5x s ASN 197 CO -0.04 -0.43 1.70 -2.65 -2.79 0.00 0.00 177.10 172.89 1n5x n PRO 198 N 4.73 0.18 0.20 0.43 -0.02 -1.26 -2.33 135.00 136.94 1n5x n PRO 198 Ca -0.09 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1n5x n PRO 198 Cb 0.43 -1.91 0.44 0.00 -0.02 0.00 0.00 33.50 32.43 1n5x n PRO 198 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1n5x h GLU 199 N 0.00 0.00 -0.01 -0.52 5.08 -2.04 -2.59 114.58 114.50 1n5x h GLU 199 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n5x h GLU 199 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1n5x h GLU 199 CO 0.00 0.00 -0.23 -0.85 -1.00 0.00 0.00 179.01 176.93 1n5x n GLU 200 N -2.81 1.21 -2.34 2.33 0.28 -0.98 -4.89 120.64 113.44 1n5x n GLU 200 Ca 0.03 -0.81 -0.41 0.00 -0.16 0.00 0.00 57.16 55.81 1n5x n GLU 200 Cb 0.39 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.74 1n5x n GLU 200 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1n5x s PHE 201 N -2.35 3.39 0.04 -1.84 2.99 -0.98 -4.98 117.98 114.25 1n5x s PHE 201 Ca 0.26 1.39 -0.30 0.00 0.00 0.00 0.00 56.93 58.28 1n5x s PHE 201 Cb 0.19 -3.47 -0.05 0.00 0.00 0.00 0.00 43.02 39.69 1n5x s PHE 201 CO 0.47 -1.35 1.21 1.41 -0.00 0.00 0.00 175.22 176.97 1n5x s MET 202 N -0.27 4.41 0.53 0.44 -2.45 -1.26 -5.00 119.30 115.71 1n5x s MET 202 Ca 0.53 1.77 -0.22 0.00 -1.25 0.00 0.00 55.69 56.53 1n5x s MET 202 Cb -0.34 -3.39 -0.05 0.00 1.25 0.00 0.00 34.83 32.30 1n5x s MET 202 CO 0.37 -0.31 1.30 -2.14 1.05 0.00 0.00 175.02 175.29 1n5x s PRO 203 N 1.31 3.24 -0.31 4.11 0.02 -1.26 -4.75 135.00 137.36 1n5x s PRO 203 Ca 0.59 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 1n5x s PRO 203 Cb -0.29 -2.24 0.01 0.00 0.02 0.00 0.00 34.50 32.00 1n5x s PRO 203 CO 0.28 -1.06 1.12 -1.17 -0.33 0.00 0.00 177.00 175.84 1n5x s LEU 204 N -3.50 3.94 -0.51 -5.54 2.96 -1.26 -4.94 118.68 109.83 1n5x s LEU 204 Ca 0.71 1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 55.67 1n5x s LEU 204 Cb -0.37 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 42.92 1n5x s LEU 204 CO 0.43 -0.91 0.35 -0.62 -1.32 0.00 0.00 176.35 174.28 1n5x s ASP 205 N 1.86 5.50 0.48 3.68 3.68 -1.26 -4.96 116.67 125.64 1n5x s ASP 205 Ca 0.48 -2.25 0.14 0.00 2.13 0.00 0.00 52.55 53.05 1n5x s ASP 205 Cb -0.13 -1.92 1.14 0.00 -1.45 0.00 0.00 42.92 40.55 1n5x s ASP 205 CO 0.17 -0.55 2.09 1.55 0.13 0.00 0.00 175.17 178.55 1n5x h PRO 206 N 7.90 0.20 0.00 4.34 0.13 -1.98 -0.96 132.00 141.63 1n5x h PRO 206 Ca -0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1n5x h PRO 206 Cb 1.03 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1n5x h PRO 206 CO 0.76 0.13 0.00 0.25 -0.23 0.00 0.00 178.00 178.92 1n5x n THR 207 N -4.49 0.00 0.03 1.56 -2.24 -1.26 -0.51 114.28 107.36 1n5x n THR 207 Ca 0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1n5x n THR 207 Cb 0.17 -0.90 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1n5x n THR 207 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5x n GLN 208 N -0.96 0.75 -2.51 -0.78 6.02 -0.37 -5.02 117.38 114.51 1n5x n GLN 208 Ca 0.02 -1.00 -0.41 0.00 -0.01 0.00 0.00 57.00 55.60 1n5x n GLN 208 Cb 0.01 -1.04 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 1n5x n GLN 208 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1n5x s GLU 209 N -0.49 4.62 -0.03 -1.09 2.56 0.33 -4.93 118.70 119.67 1n5x s GLU 209 Ca 0.03 1.73 -0.39 0.00 0.00 0.00 0.00 54.97 56.34 1n5x s GLU 209 Cb 0.02 -3.25 -0.17 0.00 2.00 0.00 0.00 34.13 32.72 1n5x s GLU 209 CO 0.02 0.14 1.38 -2.30 -0.56 0.00 0.00 175.26 173.94 1n5x n PRO 210 N 1.99 0.87 -1.43 4.30 -0.02 -1.26 -4.92 135.00 134.53 1n5x n PRO 210 Ca 0.01 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 1n5x n PRO 210 Cb 0.46 -1.93 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 1n5x n PRO 210 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1n5x s ILE 211 N 1.09 3.40 0.31 4.25 2.07 -1.26 -4.98 121.20 126.07 1n5x s ILE 211 Ca 0.89 0.50 -0.29 0.00 -1.41 0.00 0.00 60.65 60.35 1n5x s ILE 211 Cb -1.06 -3.02 -0.10 0.00 0.13 0.00 0.00 42.46 38.40 1n5x s ILE 211 CO 0.54 -0.55 1.31 0.12 -1.91 0.00 0.00 174.94 174.45 1n5x s PHE 212 N -2.78 3.10 -0.50 3.50 5.36 -1.26 -4.84 117.98 120.56 1n5x s PHE 212 Ca 0.62 1.37 -0.34 0.00 -0.96 0.00 0.00 56.93 57.63 1n5x s PHE 212 Cb -0.18 -3.66 -0.13 0.00 -0.34 0.00 0.00 43.02 38.71 1n5x s PHE 212 CO 0.52 -1.86 2.32 -2.30 -1.46 0.00 0.00 175.22 172.43 1n5x n PRO 213 N 1.16 0.78 -0.19 10.12 -0.02 -1.26 -4.84 135.00 140.74 1n5x n PRO 213 Ca 0.01 0.16 -0.02 0.00 -2.02 0.00 0.00 63.50 61.64 1n5x n PRO 213 Cb 0.42 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.59 1n5x n PRO 213 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n5x h PRO 214 N 13.21 -0.00 0.13 0.52 0.11 -1.96 -0.94 132.00 143.06 1n5x h PRO 214 Ca -0.21 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.92 1n5x h PRO 214 Cb 1.32 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1n5x h PRO 214 CO 1.12 -0.00 -0.30 1.49 -0.21 0.00 0.00 178.00 180.09 1n5x h GLU 215 N -0.00 -0.51 -0.89 1.05 4.81 -2.00 0.65 114.58 117.69 1n5x h GLU 215 Ca 0.28 0.03 0.26 0.00 -0.13 0.00 0.00 59.36 59.80 1n5x h GLU 215 Cb 0.42 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1n5x h GLU 215 CO -0.59 -0.34 0.69 1.25 -0.73 0.00 0.00 179.01 179.28 1n5x h LEU 216 N -0.53 0.00 -0.08 1.64 5.85 -1.70 0.26 115.31 120.75 1n5x h LEU 216 Ca 0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1n5x h LEU 216 Cb 0.55 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1n5x h LEU 216 CO -0.17 0.00 -0.56 0.25 -0.34 0.00 0.00 178.44 177.61 1n5x h LEU 217 N 0.00 0.00 -0.53 2.25 5.85 0.41 -3.20 115.31 120.09 1n5x h LEU 217 Ca 0.42 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.98 1n5x h LEU 217 Cb 1.79 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1n5x h LEU 217 CO -0.00 0.56 -0.68 0.03 -0.34 0.00 0.00 178.44 178.01 1n5x h ARG 218 N 0.00 0.27 0.00 1.25 3.08 0.15 -3.10 114.38 116.03 1n5x h ARG 218 Ca -0.01 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1n5x h ARG 218 Cb 1.40 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 1n5x h ARG 218 CO 0.07 0.85 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.69 1n5x h LEU 219 N 0.19 0.00 -2.00 3.04 3.38 -1.48 -2.72 115.31 115.72 1n5x h LEU 219 Ca -0.02 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.09 1n5x h LEU 219 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1n5x h LEU 219 CO 0.11 0.06 0.44 0.07 0.09 0.00 0.00 178.44 179.20 1n5x h LYS 220 N 0.00 0.00 0.49 1.13 2.10 -1.62 -2.10 116.57 116.57 1n5x h LYS 220 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1n5x h LYS 220 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1n5x h LYS 220 CO 0.01 0.00 -0.24 -0.44 -2.00 0.00 0.00 179.45 176.78 1n5x h ASP 221 N 0.00 -0.56 -1.79 7.07 3.45 -1.71 -3.45 116.42 119.44 1n5x h ASP 221 Ca 0.23 -0.07 -0.65 0.00 0.43 0.00 0.00 57.03 56.97 1n5x h ASP 221 Cb 1.10 0.14 0.10 0.00 -0.56 0.00 0.00 39.33 40.11 1n5x h ASP 221 CO -0.00 -0.18 -0.08 0.52 -1.57 0.00 0.00 179.24 177.93 1n5x n VAL 222 N -5.25 1.68 -2.35 -1.35 0.31 -0.79 -4.89 118.33 105.69 1n5x n VAL 222 Ca -0.10 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 1n5x n VAL 222 Cb 0.31 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 1n5x n VAL 222 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1n5x s PRO 223 N -1.06 4.43 0.22 5.55 0.02 -1.26 -4.95 135.00 137.95 1n5x s PRO 223 Ca 0.65 1.87 -0.32 0.00 0.02 0.00 0.00 61.00 63.22 1n5x s PRO 223 Cb -0.84 -3.28 -0.13 0.00 0.02 0.00 0.00 34.50 30.27 1n5x s PRO 223 CO 0.57 -0.23 1.53 -2.30 -0.33 0.00 0.00 177.00 176.24 1n5x n PRO 224 N 3.36 2.27 -4.22 5.54 -0.02 -1.26 -5.00 135.00 135.67 1n5x n PRO 224 Ca 0.08 0.81 -0.26 0.00 -2.02 0.00 0.00 63.50 62.11 1n5x n PRO 224 Cb 0.45 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 1n5x n PRO 224 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1n5x s LYS 225 N 0.17 2.36 -0.03 -0.52 2.20 -1.26 -4.92 119.74 117.74 1n5x s LYS 225 Ca 0.72 -1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 1n5x s LYS 225 Cb -0.62 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 1n5x s LYS 225 CO 0.44 0.44 1.21 -1.14 -0.36 0.00 0.00 175.35 175.94 1n5x s GLN 226 N -3.02 4.36 0.33 4.03 0.74 -1.26 -4.75 119.66 120.09 1n5x s GLN 226 Ca 0.28 1.70 0.07 0.00 0.05 0.00 0.00 55.36 57.46 1n5x s GLN 226 Cb -0.09 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 1n5x s GLN 226 CO 0.18 -0.42 0.40 -0.51 -0.55 0.00 0.00 175.29 174.39 1n5x s LEU 227 N 2.04 3.86 -0.14 3.68 1.43 -1.05 -4.26 118.68 124.25 1n5x s LEU 227 Ca 0.57 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1n5x s LEU 227 Cb -0.26 -2.58 0.05 0.00 0.03 0.00 0.00 46.19 43.43 1n5x s LEU 227 CO 0.23 -0.38 0.34 -0.60 0.23 0.00 0.00 176.35 176.16 1n5x s ARG 228 N -4.10 0.33 0.04 1.70 3.52 -1.26 -2.20 118.95 116.98 1n5x s ARG 228 Ca 0.43 0.61 0.06 0.00 -0.13 0.00 0.00 55.73 56.69 1n5x s ARG 228 Cb -0.08 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 1n5x s ARG 228 CO 0.29 -0.12 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.43 1n5x s PHE 229 N 0.97 1.46 -0.25 5.12 0.40 0.53 -0.34 117.98 125.86 1n5x s PHE 229 Ca -0.06 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1n5x s PHE 229 Cb -0.07 -0.87 0.07 0.00 0.51 0.00 0.00 43.02 42.66 1n5x s PHE 229 CO -0.07 0.06 0.01 -1.21 0.70 0.00 0.00 175.22 174.71 1n5x s GLU 230 N -1.13 1.13 0.10 0.44 2.02 -1.25 -1.21 118.70 118.79 1n5x s GLU 230 Ca 0.04 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1n5x s GLU 230 Cb -0.08 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1n5x s GLU 230 CO 0.01 -0.73 0.13 0.41 0.02 0.00 0.00 175.26 175.11 1n5x n GLY 231 N 4.79 1.27 0.33 -1.39 0.00 -0.14 -4.77 105.19 105.27 1n5x n GLY 231 Ca -0.08 -2.04 0.03 0.00 0.00 0.00 0.00 46.02 43.93 1n5x n GLY 231 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n5x h GLU 232 N 0.00 0.89 0.00 1.61 4.81 -1.96 -3.36 114.58 116.57 1n5x h GLU 232 Ca -0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1n5x h GLU 232 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1n5x h GLU 232 CO 0.05 0.59 -0.55 0.54 -0.73 0.00 0.00 179.01 178.91 1n5x n ARG 233 N -4.67 2.52 -4.32 1.92 1.74 -1.26 -5.09 116.66 107.50 1n5x n ARG 233 Ca 0.15 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.96 1n5x n ARG 233 Cb 0.26 -0.76 -0.10 0.00 -1.02 0.00 0.00 32.46 30.85 1n5x n ARG 233 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n5x s VAL 234 N -1.16 3.04 -0.11 1.55 1.01 -1.26 -4.55 120.40 118.92 1n5x s VAL 234 Ca 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.24 1n5x s VAL 234 Cb 0.00 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1n5x s VAL 234 CO 0.00 -0.14 -0.18 -0.89 0.00 0.00 0.00 175.10 173.89 1n5x s THR 235 N -1.77 1.70 -0.18 3.92 2.01 0.31 -0.97 115.64 120.66 1n5x s THR 235 Ca 0.25 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1n5x s THR 235 Cb -0.08 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1n5x s THR 235 CO 0.15 0.48 -0.06 0.86 -0.69 0.00 0.00 174.62 175.35 1n5x s TRP 236 N 0.78 2.94 -0.29 4.92 -0.11 -0.35 -0.14 118.94 126.69 1n5x s TRP 236 Ca -0.10 -0.66 0.03 0.00 1.22 0.00 0.00 56.10 56.58 1n5x s TRP 236 Cb -0.16 -2.00 0.08 0.00 -1.50 0.00 0.00 33.47 29.89 1n5x s TRP 236 CO 0.01 -0.31 -0.03 0.42 -4.62 0.00 0.00 176.95 172.42 1n5x s ILE 237 N 0.86 2.04 -0.64 5.86 1.01 0.06 -0.35 121.20 130.04 1n5x s ILE 237 Ca -0.02 -1.82 -0.28 0.00 0.00 0.00 0.00 60.65 58.54 1n5x s ILE 237 Cb -0.15 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.03 1n5x s ILE 237 CO 0.01 -0.28 1.26 -1.58 0.00 0.00 0.00 174.94 174.34 1n5x s GLN 238 N 1.10 3.36 0.46 2.79 2.00 -0.94 -1.95 119.66 126.48 1n5x s GLN 238 Ca -0.00 0.08 -0.21 0.00 -2.00 0.00 0.00 55.36 53.22 1n5x s GLN 238 Cb -0.19 -4.09 -0.09 0.00 0.80 0.00 0.00 33.01 29.44 1n5x s GLN 238 CO -0.07 -1.91 1.04 0.00 -0.50 0.00 0.00 175.29 173.85 1n5x s ALA 239 N 5.42 2.94 -0.18 1.58 0.00 -0.84 -2.54 121.76 128.14 1n5x s ALA 239 Ca 0.41 0.64 0.08 0.00 0.00 0.00 0.00 51.96 53.09 1n5x s ALA 239 Cb -0.08 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1n5x s ALA 239 CO 0.21 -0.28 0.26 -1.13 0.00 0.00 0.00 175.76 174.82 1n5x n SER 240 N -0.67 1.83 -4.00 0.00 3.41 -1.26 -4.37 113.62 108.56 1n5x n SER 240 Ca 0.08 -0.32 -0.08 0.00 -0.26 0.00 0.00 58.87 58.28 1n5x n SER 240 Cb 0.52 1.20 -0.10 0.00 -0.26 0.00 0.00 64.21 65.57 1n5x n SER 240 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1n5x s THR 241 N -2.19 0.16 0.21 6.66 -4.23 -1.26 -4.30 115.64 110.70 1n5x s THR 241 Ca -0.00 -1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1n5x s THR 241 Cb 0.06 -1.03 0.15 0.00 1.34 0.00 0.00 72.50 73.01 1n5x s THR 241 CO 0.34 -0.75 1.86 0.25 -0.54 0.00 0.00 174.62 175.78 1n5x h LEU 242 N 3.63 0.78 -0.68 4.79 5.85 -1.96 -1.49 115.31 126.23 1n5x h LEU 242 Ca -0.33 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.48 1n5x h LEU 242 Cb 1.17 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 1n5x h LEU 242 CO 0.55 0.55 0.29 0.50 -0.34 0.00 0.00 178.44 179.99 1n5x h LYS 243 N 0.92 0.48 -0.43 1.25 3.64 -1.99 0.48 116.57 120.91 1n5x h LYS 243 Ca 0.28 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1n5x h LYS 243 Cb -0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1n5x h LYS 243 CO -0.09 0.31 -0.11 0.93 -2.27 0.00 0.00 179.45 178.23 1n5x h GLU 244 N 0.49 0.77 -0.27 1.90 5.08 -1.83 -0.99 114.58 119.72 1n5x h GLU 244 Ca 0.35 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1n5x h GLU 244 Cb 0.43 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1n5x h GLU 244 CO -0.32 0.85 0.09 1.25 -1.00 0.00 0.00 179.01 179.89 1n5x h LEU 245 N 0.70 0.39 -0.75 1.33 5.85 -0.14 0.16 115.31 122.85 1n5x h LEU 245 Ca 0.12 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1n5x h LEU 245 Cb 0.59 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1n5x h LEU 245 CO 0.04 0.47 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.35 1n5x h LEU 246 N 0.28 0.75 -0.21 2.25 3.38 -0.82 -1.27 115.31 119.67 1n5x h LEU 246 Ca 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1n5x h LEU 246 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1n5x h LEU 246 CO -0.00 0.93 0.01 0.44 0.09 0.00 0.00 178.44 179.91 1n5x h ASP 247 N 0.66 0.35 -0.29 -0.43 3.32 -0.97 -2.02 116.42 117.04 1n5x h ASP 247 Ca 0.10 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1n5x h ASP 247 Cb 0.68 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1n5x h ASP 247 CO 0.05 0.56 0.04 -0.07 -1.72 0.00 0.00 179.24 178.11 1n5x h LEU 248 N 0.13 -0.02 -1.66 1.55 3.38 -0.46 -1.31 115.31 116.92 1n5x h LEU 248 Ca 0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1n5x h LEU 248 Cb 0.38 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1n5x h LEU 248 CO 0.01 0.02 0.02 0.11 0.09 0.00 0.00 178.44 178.69 1n5x h LYS 249 N 0.14 0.23 -0.00 1.13 1.79 -1.18 0.27 116.57 118.95 1n5x h LYS 249 Ca 0.14 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1n5x h LYS 249 Cb 0.16 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1n5x h LYS 249 CO -0.20 0.24 -0.00 0.00 -1.08 0.00 0.00 179.45 178.42 1n5x h ALA 250 N 1.79 0.00 0.00 3.86 0.00 -0.59 -2.72 119.26 121.61 1n5x h ALA 250 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1n5x h ALA 250 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1n5x h ALA 250 CO 0.00 -0.33 -0.39 1.96 0.00 0.00 0.00 179.25 180.49 1n5x h GLN 251 N -0.32 0.00 -2.49 0.00 4.20 -0.71 -3.38 115.11 112.41 1n5x h GLN 251 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1n5x h GLN 251 Cb 0.33 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.72 1n5x h GLN 251 CO 0.00 0.39 -0.91 -1.01 -0.67 0.00 0.00 178.83 176.63 1n5x s HIS 252 N -3.69 1.35 0.14 2.96 3.76 0.91 -5.00 115.29 115.72 1n5x s HIS 252 Ca -0.00 -2.37 -0.16 0.00 -0.15 0.00 0.00 55.06 52.37 1n5x s HIS 252 Cb 0.12 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.67 1n5x s HIS 252 CO 0.69 -0.80 1.74 -1.35 -0.85 0.00 0.00 174.74 174.17 1n5x h PRO 253 N 5.78 0.58 0.00 8.40 0.11 -1.67 -3.03 132.00 142.17 1n5x h PRO 253 Ca 0.22 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1n5x h PRO 253 Cb 0.90 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1n5x h PRO 253 CO 0.40 0.48 -0.06 1.05 -0.21 0.00 0.00 178.00 179.67 1n5x h GLU 254 N 0.52 0.00 -6.50 1.05 9.09 -1.88 -3.45 114.58 113.41 1n5x h GLU 254 Ca 0.14 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.96 1n5x h GLU 254 Cb 0.08 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 27.25 1n5x h GLU 254 CO -0.02 0.06 0.74 0.00 0.05 0.00 0.00 179.01 179.84 1n5x n ALA 255 N -2.19 1.15 -2.31 1.06 0.00 -1.15 -4.97 120.51 112.10 1n5x n ALA 255 Ca -0.02 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 1n5x n ALA 255 Cb 0.20 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1n5x n ALA 255 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n5x s LYS 256 N 0.64 3.95 0.12 0.00 -0.14 -1.06 -4.87 119.74 118.38 1n5x s LYS 256 Ca 0.77 0.49 -0.09 0.00 -1.36 0.00 0.00 55.97 55.78 1n5x s LYS 256 Cb -0.69 -2.73 -0.06 0.00 -1.68 0.00 0.00 37.83 32.67 1n5x s LYS 256 CO 0.41 0.35 0.44 -0.51 -0.76 0.00 0.00 175.35 175.27 1n5x s LEU 257 N -2.46 4.30 -0.02 3.17 1.43 -1.26 -1.16 118.68 122.69 1n5x s LEU 257 Ca 0.45 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1n5x s LEU 257 Cb -0.13 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.92 1n5x s LEU 257 CO 0.20 0.10 0.00 -0.69 0.23 0.00 0.00 176.35 176.19 1n5x s VAL 258 N -1.52 0.11 0.00 -1.59 1.01 -0.49 -4.90 120.40 113.02 1n5x s VAL 258 Ca 0.37 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1n5x s VAL 258 Cb -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1n5x s VAL 258 CO 0.20 0.09 0.00 0.52 0.00 0.00 0.00 175.10 175.91 1n5x n VAL 259 N 3.73 0.00 0.30 2.92 0.31 -1.26 -4.11 118.33 120.22 1n5x n VAL 259 Ca -0.22 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1n5x n VAL 259 Cb 0.54 -0.42 0.15 0.00 -0.91 0.00 0.00 33.84 33.20 1n5x n VAL 259 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1n5x h GLY 260 N 0.00 0.00 -0.01 2.92 0.00 -1.94 -3.47 103.07 100.57 1n5x h GLY 260 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n5x h GLY 260 CO 0.00 0.00 -0.00 -2.01 0.00 0.00 0.00 176.54 174.53 1n5x n ASN 261 N -2.66 -5.88 0.00 0.19 5.15 -1.26 -4.76 115.26 106.04 1n5x n ASN 261 Ca 0.03 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.13 1n5x n ASN 261 Cb 0.51 -3.45 0.70 0.00 -0.53 0.00 0.00 39.78 37.00 1n5x n ASN 261 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1n5x n THR 262 N -1.96 0.00 0.02 -0.44 -2.24 -1.26 -0.84 114.28 107.55 1n5x n THR 262 Ca -0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1n5x n THR 262 Cb 0.49 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1n5x n THR 262 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1n5x n GLU 263 N -0.97 0.03 -0.13 -0.78 4.07 -1.26 -4.59 120.64 117.01 1n5x n GLU 263 Ca 0.18 0.01 0.01 0.00 -0.06 0.00 0.00 57.16 57.30 1n5x n GLU 263 Cb 0.08 -0.55 0.28 0.00 -0.06 0.00 0.00 31.44 31.19 1n5x n GLU 263 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1n5x h ILE 264 N -0.06 1.18 -0.46 6.31 1.08 -1.95 -1.78 117.51 121.84 1n5x h ILE 264 Ca -0.02 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1n5x h ILE 264 Cb 0.58 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 1n5x h ILE 264 CO -0.01 0.20 0.25 1.23 -0.69 0.00 0.00 178.15 179.13 1n5x h GLY 265 N 0.89 0.66 1.08 5.37 0.00 -1.28 -0.81 103.07 108.99 1n5x h GLY 265 Ca 0.21 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 1n5x h GLY 265 CO -0.04 0.27 -0.81 -2.22 0.00 0.00 0.00 176.54 173.74 1n5x h ILE 266 N 0.63 1.31 -0.42 2.60 1.08 -1.53 -2.54 117.51 118.63 1n5x h ILE 266 Ca 0.16 -2.07 -0.05 0.00 -0.39 0.00 0.00 64.86 62.51 1n5x h ILE 266 Cb 0.01 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.01 1n5x h ILE 266 CO -0.03 0.64 0.03 -0.33 -0.69 0.00 0.00 178.15 177.78 1n5x h GLU 267 N 0.32 0.67 -0.00 2.37 5.08 -0.99 0.23 114.58 122.25 1n5x h GLU 267 Ca -0.08 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1n5x h GLU 267 Cb 1.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1n5x h GLU 267 CO 0.16 0.66 -0.24 0.52 -1.00 0.00 0.00 179.01 179.12 1n5x h MET 268 N 0.64 0.17 0.05 2.33 2.86 -1.20 -1.84 114.93 117.94 1n5x h MET 268 Ca 0.13 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1n5x h MET 268 Cb 0.35 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1n5x h MET 268 CO 0.01 0.91 -0.02 -0.22 1.06 0.00 0.00 176.91 178.64 1n5x h LYS 269 N -0.50 -0.07 0.02 1.72 1.63 -1.39 -3.26 116.57 114.73 1n5x h LYS 269 Ca -0.03 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.43 1n5x h LYS 269 Cb 0.99 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.58 1n5x h LYS 269 CO 0.05 0.32 -2.14 1.19 -3.45 0.00 0.00 179.45 175.42 1n5x n PHE 270 N -4.93 0.53 0.81 1.91 3.01 0.80 -4.39 117.46 115.19 1n5x n PHE 270 Ca -0.08 0.15 0.08 0.00 1.01 0.00 0.00 57.45 58.61 1n5x n PHE 270 Cb 0.22 -1.08 0.24 0.00 -0.01 0.00 0.00 39.48 38.85 1n5x n PHE 270 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1n5x n LYS 271 N -3.08 1.93 -3.55 -1.08 4.76 -0.72 -4.96 118.16 111.46 1n5x n LYS 271 Ca -0.31 -1.43 -0.20 0.00 -2.87 0.00 0.00 58.31 53.50 1n5x n LYS 271 Cb 1.07 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.92 1n5x n LYS 271 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1n5x n ASN 272 N 0.66 -5.85 -4.33 4.39 3.02 -1.07 -4.93 115.26 107.15 1n5x n ASN 272 Ca 0.15 -0.72 -0.28 0.00 -0.03 0.00 0.00 54.58 53.70 1n5x n ASN 272 Cb 0.36 -3.21 -0.14 0.00 -0.61 0.00 0.00 39.78 36.18 1n5x n ASN 272 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1n5x s GLN 273 N -4.70 1.48 -0.27 3.52 -1.52 -1.02 -5.00 119.66 112.14 1n5x s GLN 273 Ca 0.14 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 1n5x s GLN 273 Cb -0.05 -1.75 0.08 0.00 -0.22 0.00 0.00 33.01 31.06 1n5x s GLN 273 CO 0.85 0.43 0.02 -1.17 -0.25 0.00 0.00 175.29 175.17 1n5x s LEU 274 N -1.57 2.54 -0.74 2.90 2.96 -1.26 -4.48 118.68 119.03 1n5x s LEU 274 Ca 0.11 -1.40 -0.13 0.00 -0.22 0.00 0.00 54.13 52.48 1n5x s LEU 274 Cb -0.10 -1.04 0.19 0.00 0.50 0.00 0.00 46.19 45.74 1n5x s LEU 274 CO 0.03 -0.32 0.68 -0.36 -1.32 0.00 0.00 176.35 175.06 1n5x s PHE 275 N 1.47 3.62 0.61 5.38 2.99 -1.26 -4.92 117.98 125.88 1n5x s PHE 275 Ca 0.02 -1.90 0.30 0.00 0.00 0.00 0.00 56.93 55.36 1n5x s PHE 275 Cb -0.18 -3.76 1.66 0.00 0.00 0.00 0.00 43.02 40.73 1n5x s PHE 275 CO -0.13 -0.99 2.02 -1.00 -0.00 0.00 0.00 175.22 175.13 1n5x h PRO 276 N 7.98 0.00 -3.46 0.24 0.13 -1.95 -3.41 132.00 131.54 1n5x h PRO 276 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.78 1n5x h PRO 276 Cb 1.05 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.81 1n5x h PRO 276 CO 0.81 0.00 -0.74 1.41 -0.23 0.00 0.00 178.00 179.25 1n5x s MET 277 N -4.48 0.05 0.05 0.86 -2.45 -1.26 -0.53 119.30 111.55 1n5x s MET 277 Ca -0.04 0.26 0.09 0.00 -1.25 0.00 0.00 55.69 54.75 1n5x s MET 277 Cb 0.14 -0.49 -0.03 0.00 1.25 0.00 0.00 34.83 35.70 1n5x s MET 277 CO 0.48 -0.26 -0.26 0.42 1.05 0.00 0.00 175.02 176.45 1n5x s ILE 278 N 1.72 2.10 -0.09 10.11 1.01 0.80 -2.55 121.20 134.31 1n5x s ILE 278 Ca -0.00 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.26 1n5x s ILE 278 Cb -0.12 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1n5x s ILE 278 CO -0.03 0.32 -0.16 -0.63 0.00 0.00 0.00 174.94 174.44 1n5x s ILE 279 N -0.83 1.51 -0.37 2.92 1.01 -0.31 -0.76 121.20 124.37 1n5x s ILE 279 Ca 0.11 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1n5x s ILE 279 Cb -0.10 -1.36 0.06 0.00 0.01 0.00 0.00 42.46 41.07 1n5x s ILE 279 CO 0.02 0.44 0.17 0.00 0.00 0.00 0.00 174.94 175.57 1n5x n PRO 281 N 4.84 0.36 -0.25 0.00 -0.04 -1.26 -1.99 135.00 136.66 1n5x n PRO 281 Ca -0.11 -0.10 0.25 0.00 -0.04 0.00 0.00 63.50 63.50 1n5x n PRO 281 Cb 0.44 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.86 1n5x n PRO 281 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5x n ALA 282 N -1.23 0.80 -0.09 0.55 0.00 -1.26 -1.08 120.51 118.19 1n5x n ALA 282 Ca 0.11 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 1n5x n ALA 282 Cb 0.30 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1n5x n ALA 282 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1n5x h TRP 283 N 0.00 0.77 -0.17 0.00 6.55 -1.78 -3.45 115.95 117.86 1n5x h TRP 283 Ca 0.66 -0.22 -0.78 0.00 0.95 0.00 0.00 58.89 59.51 1n5x h TRP 283 Cb 1.75 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 29.84 1n5x h TRP 283 CO -0.02 0.93 1.26 -0.89 -1.05 0.00 0.00 178.44 178.67 1n5x n ILE 284 N -4.34 0.01 -0.23 1.49 5.41 -0.24 -4.85 119.36 116.62 1n5x n ILE 284 Ca -0.04 -0.01 0.14 0.00 1.00 0.00 0.00 62.75 63.84 1n5x n ILE 284 Cb 0.43 -0.56 0.43 0.00 -0.71 0.00 0.00 39.64 39.23 1n5x n ILE 284 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1n5x h PRO 285 N 8.73 0.56 0.00 0.38 0.13 -1.87 -1.22 132.00 138.70 1n5x h PRO 285 Ca -0.15 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1n5x h PRO 285 Cb 1.41 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1n5x h PRO 285 CO 1.07 0.37 -0.02 0.93 -0.23 0.00 0.00 178.00 180.13 1n5x h GLU 286 N 0.57 0.00 -0.16 0.86 3.07 -1.97 -0.38 114.58 116.57 1n5x h GLU 286 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1n5x h GLU 286 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1n5x h GLU 286 CO -0.17 0.02 0.00 1.28 -1.40 0.00 0.00 179.01 178.74 1n5x n LEU 287 N -3.14 1.64 0.00 1.33 4.77 -0.46 -3.58 117.00 117.57 1n5x n LEU 287 Ca -0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1n5x n LEU 287 Cb 0.24 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1n5x n LEU 287 CO 0.26 0.34 0.23 0.59 -1.33 0.00 0.00 177.39 177.48 1n5x n ASN 288 N 0.31 0.74 -4.78 -1.43 3.02 -0.28 0.67 115.26 113.50 1n5x n ASN 288 Ca 0.16 -1.21 -0.36 0.00 -0.03 0.00 0.00 54.58 53.14 1n5x n ASN 288 Cb 0.33 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1n5x n ASN 288 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n5x s ALA 289 N -0.21 2.99 -0.09 5.41 0.00 -0.47 -4.62 121.76 124.78 1n5x s ALA 289 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1n5x s ALA 289 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1n5x s ALA 289 CO 0.00 -0.38 -0.16 0.08 0.00 0.00 0.00 175.76 175.30 1n5x s VAL 290 N -1.70 1.47 -0.01 0.00 1.01 -1.26 -0.00 120.40 119.91 1n5x s VAL 290 Ca 0.62 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1n5x s VAL 290 Cb -0.23 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1n5x s VAL 290 CO 0.28 0.43 -0.07 -1.61 0.00 0.00 0.00 175.10 174.14 1n5x s GLU 291 N 0.77 0.63 -0.68 2.72 2.02 0.25 -4.95 118.70 119.45 1n5x s GLU 291 Ca -0.11 -0.22 -0.06 0.00 0.02 0.00 0.00 54.97 54.59 1n5x s GLU 291 Cb -0.16 -0.61 0.18 0.00 0.10 0.00 0.00 34.13 33.64 1n5x s GLU 291 CO 0.02 0.10 0.54 -1.01 0.02 0.00 0.00 175.26 174.93 1n5x s HIS 292 N 0.06 3.52 0.71 1.61 3.76 -1.26 0.12 115.29 123.81 1n5x s HIS 292 Ca -0.00 -2.47 0.02 0.00 -0.15 0.00 0.00 55.06 52.46 1n5x s HIS 292 Cb -0.05 -3.40 0.13 0.00 1.11 0.00 0.00 32.58 30.38 1n5x s HIS 292 CO -0.00 -0.89 0.98 0.20 -0.85 0.00 0.00 174.74 174.18 1n5x s GLY 293 N 1.20 1.73 0.52 -2.22 0.00 -0.15 -4.98 107.32 103.42 1n5x s GLY 293 Ca 0.17 -1.95 0.29 0.00 0.00 0.00 0.00 44.72 43.23 1n5x s GLY 293 CO -0.05 -1.35 2.00 -0.56 0.00 0.00 0.00 173.10 173.14 1n5x h PRO 294 N -0.43 0.00 0.00 2.90 0.13 -2.03 -2.98 132.00 129.58 1n5x h PRO 294 Ca -0.33 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.68 1n5x h PRO 294 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1n5x h PRO 294 CO 0.38 0.11 -1.12 0.93 -0.23 0.00 0.00 178.00 178.07 1n5x h GLU 295 N 0.00 0.00 0.00 0.86 4.39 -1.98 -3.47 114.58 114.38 1n5x h GLU 295 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n5x h GLU 295 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1n5x h GLU 295 CO 0.01 0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.53 1n5x n GLY 296 N 1.31 -1.31 3.82 -3.84 0.00 -1.13 -1.50 105.19 102.55 1n5x n GLY 296 Ca -0.05 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1n5x n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n5x s ILE 297 N -2.97 5.30 -0.07 -0.61 1.01 -1.01 -0.97 121.20 121.87 1n5x s ILE 297 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1n5x s ILE 297 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1n5x s ILE 297 CO 0.00 0.54 -0.09 -0.55 0.00 0.00 0.00 174.94 174.85 1n5x s SER 298 N -0.63 4.49 -0.01 3.58 0.15 0.32 -1.41 113.70 120.19 1n5x s SER 298 Ca 0.18 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.81 1n5x s SER 298 Cb -0.14 -1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 62.99 1n5x s SER 298 CO 0.07 0.34 -0.20 -0.36 1.20 0.00 0.00 173.24 174.28 1n5x s PHE 299 N -0.65 1.80 0.51 3.44 0.40 0.11 -0.58 117.98 123.01 1n5x s PHE 299 Ca 0.10 -0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 55.88 1n5x s PHE 299 Cb -0.11 -1.14 -0.07 0.00 0.51 0.00 0.00 43.02 42.20 1n5x s PHE 299 CO 0.02 -0.01 1.13 0.20 0.70 0.00 0.00 175.22 177.25 1n5x s GLY 300 N -0.58 2.67 0.00 4.36 0.00 1.00 -0.61 107.32 114.15 1n5x s GLY 300 Ca 0.08 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.67 1n5x s GLY 300 CO -0.00 1.22 0.85 0.00 0.00 0.00 0.00 173.10 175.17 1n5x n ALA 301 N -0.99 1.48 0.71 3.20 0.00 -0.09 -1.56 120.51 123.27 1n5x n ALA 301 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1n5x n ALA 301 Cb 0.50 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 1n5x n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5x n ALA 302 N -1.17 3.89 -1.69 0.00 0.00 0.21 -1.12 120.51 120.63 1n5x n ALA 302 Ca 0.02 -0.43 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 1n5x n ALA 302 Cb 0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1n5x n ALA 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5x s ALA 304 N -0.21 3.17 0.29 0.00 0.00 -1.26 -1.01 121.76 122.73 1n5x s ALA 304 Ca 0.65 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.12 1n5x s ALA 304 Cb -0.60 -3.16 0.71 0.00 0.00 0.00 0.00 23.12 20.07 1n5x s ALA 304 CO 0.51 0.17 1.71 -0.07 0.00 0.00 0.00 175.76 178.08 1n5x h LEU 305 N 2.79 0.40 -1.53 0.00 3.38 -1.15 0.56 115.31 119.76 1n5x h LEU 305 Ca -0.47 0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.72 1n5x h LEU 305 Cb 1.19 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1n5x h LEU 305 CO 0.64 0.05 0.43 0.77 0.09 0.00 0.00 178.44 180.41 1n5x h SER 306 N 0.46 0.48 0.01 -0.43 4.64 -1.26 0.74 113.55 118.19 1n5x h SER 306 Ca 0.55 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1n5x h SER 306 Cb 1.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1n5x h SER 306 CO -0.49 0.30 -0.00 0.28 -0.87 0.00 0.00 176.83 176.04 1n5x h SER 307 N 0.54 -0.01 -0.59 4.97 0.02 -0.17 -1.32 113.55 117.00 1n5x h SER 307 Ca 0.29 -0.58 0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1n5x h SER 307 Cb 0.44 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 1n5x h SER 307 CO -0.09 0.58 0.22 0.58 -1.14 0.00 0.00 176.83 176.98 1n5x h VAL 308 N -0.60 0.79 -0.14 2.27 2.07 -0.38 0.14 116.25 120.41 1n5x h VAL 308 Ca -0.00 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1n5x h VAL 308 Cb 0.59 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1n5x h VAL 308 CO 0.00 0.07 -0.05 -0.08 0.02 0.00 0.00 177.57 177.54 1n5x h GLU 309 N 0.41 -0.02 -0.41 1.57 4.81 0.50 0.15 114.58 121.59 1n5x h GLU 309 Ca 0.29 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1n5x h GLU 309 Cb 0.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1n5x h GLU 309 CO -0.29 -0.01 0.18 -0.22 -0.73 0.00 0.00 179.01 177.94 1n5x h LYS 310 N -0.02 0.36 0.25 1.92 3.64 -0.01 -0.46 116.57 122.24 1n5x h LYS 310 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1n5x h LYS 310 Cb 0.13 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1n5x h LYS 310 CO -0.15 0.24 -0.12 1.15 -2.27 0.00 0.00 179.45 178.29 1n5x h THR 311 N 0.37 0.78 -0.73 1.00 2.02 -0.44 -2.53 112.91 113.37 1n5x h THR 311 Ca 0.18 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1n5x h THR 311 Cb 0.12 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1n5x h THR 311 CO -0.15 0.04 0.43 -0.07 0.37 0.00 0.00 175.52 176.13 1n5x h LEU 312 N -0.41 0.65 -0.88 2.58 4.07 -0.75 0.37 115.31 120.94 1n5x h LEU 312 Ca -0.03 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1n5x h LEU 312 Cb 0.31 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 1n5x h LEU 312 CO 0.06 0.41 0.55 -0.07 -1.08 0.00 0.00 178.44 178.31 1n5x h LEU 313 N 0.78 1.04 -0.53 1.67 3.38 -1.00 0.27 115.31 120.91 1n5x h LEU 313 Ca 0.33 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1n5x h LEU 313 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1n5x h LEU 313 CO -0.18 0.78 -0.35 -0.33 0.09 0.00 0.00 178.44 178.45 1n5x h GLU 314 N 1.20 0.81 -0.81 1.13 5.08 -0.95 -1.33 114.58 119.71 1n5x h GLU 314 Ca 0.32 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1n5x h GLU 314 Cb -0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1n5x h GLU 314 CO -0.06 1.03 0.42 0.00 -1.00 0.00 0.00 179.01 179.39 1n5x h ALA 315 N 0.93 1.04 -0.29 3.43 0.00 -0.07 -0.73 119.26 123.57 1n5x h ALA 315 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1n5x h ALA 315 Cb 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1n5x h ALA 315 CO 0.08 0.58 -0.23 0.28 0.00 0.00 0.00 179.25 179.97 1n5x h VAL 316 N 1.14 1.26 -0.02 0.00 2.07 -0.21 0.18 116.25 120.67 1n5x h VAL 316 Ca 0.28 -1.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.38 1n5x h VAL 316 Cb 0.08 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1n5x h VAL 316 CO -0.04 0.41 -0.74 0.00 0.02 0.00 0.00 177.57 177.22 1n5x h ALA 317 N 1.27 0.73 0.09 1.67 0.00 -0.78 -3.36 119.26 118.87 1n5x h ALA 317 Ca 0.07 -0.65 -0.36 0.00 0.00 0.00 0.00 54.91 53.97 1n5x h ALA 317 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1n5x h ALA 317 CO 0.05 0.86 -2.08 1.63 0.00 0.00 0.00 179.25 179.70 1n5x n LYS 318 N -3.73 0.73 -2.91 0.00 4.01 -0.32 -4.97 118.16 110.96 1n5x n LYS 318 Ca -0.02 0.24 -0.29 0.00 -0.51 0.00 0.00 58.31 57.73 1n5x n LYS 318 Cb 0.71 -1.67 -0.02 0.00 -0.51 0.00 0.00 35.03 33.54 1n5x n LYS 318 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1n5x s LEU 319 N -6.81 3.83 0.57 -0.35 1.43 0.04 -5.04 118.68 112.34 1n5x s LEU 319 Ca -0.23 0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 53.62 1n5x s LEU 319 Cb 0.07 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1n5x s LEU 319 CO 0.74 -0.41 1.34 -2.84 0.23 0.00 0.00 176.35 175.42 1n5x s PRO 320 N -4.07 3.01 0.36 1.29 0.02 -1.26 -4.81 135.00 129.54 1n5x s PRO 320 Ca 0.48 2.19 0.13 0.00 0.02 0.00 0.00 61.00 63.81 1n5x s PRO 320 Cb -0.10 -2.16 0.94 0.00 0.02 0.00 0.00 34.50 33.20 1n5x s PRO 320 CO 0.35 -1.28 1.78 1.15 -0.33 0.00 0.00 177.00 178.68 1n5x h THR 321 N 1.23 0.62 0.00 0.99 2.02 -1.96 -1.47 112.91 114.34 1n5x h THR 321 Ca -0.51 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1n5x h THR 321 Cb 1.31 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1n5x h THR 321 CO 0.56 0.10 -0.10 -0.61 0.37 0.00 0.00 175.52 175.85 1n5x h GLN 322 N 0.56 0.00 0.00 6.66 5.75 -1.90 -2.75 115.11 123.43 1n5x h GLN 322 Ca 0.57 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.07 1n5x h GLN 322 Cb 1.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1n5x h GLN 322 CO -0.33 0.10 -0.76 1.63 -2.65 0.00 0.00 178.83 176.83 1n5x n LYS 323 N -3.41 0.16 -0.60 1.69 5.02 -0.56 -4.15 118.16 116.30 1n5x n LYS 323 Ca -0.01 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1n5x n LYS 323 Cb 0.26 -1.57 0.32 0.00 -0.02 0.00 0.00 35.03 34.02 1n5x n LYS 323 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n5x n THR 324 N -1.78 2.21 -0.25 -0.18 -2.24 -1.04 0.73 114.28 111.72 1n5x n THR 324 Ca 0.04 -1.48 -0.01 0.00 -2.27 0.00 0.00 64.05 60.33 1n5x n THR 324 Cb 0.39 -0.09 0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1n5x n THR 324 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1n5x h GLU 325 N 3.07 0.73 0.01 -0.78 4.39 -1.74 0.10 114.58 120.37 1n5x h GLU 325 Ca 0.00 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 1n5x h GLU 325 Cb 1.55 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1n5x h GLU 325 CO 0.29 0.48 -0.90 0.28 -1.16 0.00 0.00 179.01 178.01 1n5x h VAL 326 N 0.76 1.59 0.16 3.13 2.07 -1.83 -3.01 116.25 119.11 1n5x h VAL 326 Ca 0.32 -2.90 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 1n5x h VAL 326 Cb 0.20 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1n5x h VAL 326 CO -0.19 0.83 -0.08 -0.26 0.02 0.00 0.00 177.57 177.90 1n5x h PHE 327 N 0.03 -0.20 -0.13 1.57 0.04 -1.61 -1.39 116.94 115.26 1n5x h PHE 327 Ca -0.03 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.78 1n5x h PHE 327 Cb 1.56 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.77 1n5x h PHE 327 CO 0.01 -0.03 0.15 0.00 -0.60 0.00 0.00 178.31 177.83 1n5x h ARG 328 N -0.33 0.00 -0.05 1.51 -0.00 -0.89 -1.32 114.38 113.30 1n5x h ARG 328 Ca -0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.43 1n5x h ARG 328 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.23 1n5x h ARG 328 CO 0.04 0.00 -0.08 0.78 0.00 0.00 0.00 179.97 180.70 1n5x h GLY 329 N 0.00 0.16 1.02 0.04 0.00 -1.14 -2.27 103.07 100.89 1n5x h GLY 329 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1n5x h GLY 329 CO -0.00 0.17 0.48 -2.08 0.00 0.00 0.00 176.54 175.10 1n5x h VAL 330 N -0.34 1.25 -0.98 4.60 2.07 -0.58 -2.70 116.25 119.57 1n5x h VAL 330 Ca 0.00 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1n5x h VAL 330 Cb 0.64 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1n5x h VAL 330 CO 0.02 0.28 0.65 -0.07 0.02 0.00 0.00 177.57 178.47 1n5x h LEU 331 N 1.21 1.11 -1.32 2.57 3.38 -1.24 0.16 115.31 121.18 1n5x h LEU 331 Ca 0.31 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1n5x h LEU 331 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1n5x h LEU 331 CO -0.05 0.79 -0.16 -0.33 0.09 0.00 0.00 178.44 178.77 1n5x h GLU 332 N 1.30 0.26 0.09 1.13 4.39 -1.09 -0.68 114.58 119.97 1n5x h GLU 332 Ca 0.37 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1n5x h GLU 332 Cb -0.10 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1n5x h GLU 332 CO -0.09 0.42 -0.04 1.96 -1.16 0.00 0.00 179.01 180.10 1n5x h GLN 333 N 0.24 -0.11 0.00 2.33 1.08 -1.05 -3.11 115.11 114.49 1n5x h GLN 333 Ca 0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1n5x h GLN 333 Cb 0.44 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1n5x h GLN 333 CO 0.03 0.41 0.17 -0.07 -0.95 0.00 0.00 178.83 178.42 1n5x h LEU 334 N -0.89 0.00 -1.06 1.46 3.38 -0.65 -0.79 115.31 116.75 1n5x h LEU 334 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1n5x h LEU 334 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1n5x h LEU 334 CO 0.02 0.00 -0.24 -0.09 0.09 0.00 0.00 178.44 178.22 1n5x h ARG 335 N 0.00 0.38 0.00 1.13 2.43 -1.04 -3.13 114.38 114.15 1n5x h ARG 335 Ca 0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1n5x h ARG 335 Cb 0.35 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1n5x h ARG 335 CO 0.00 0.60 -0.50 0.91 -1.51 0.00 0.00 179.97 179.46 1n5x n TRP 336 N -4.15 0.00 -3.20 2.20 7.02 -0.33 -4.95 117.44 114.04 1n5x n TRP 336 Ca -0.00 -1.21 -0.42 0.00 -1.02 0.00 0.00 57.50 54.85 1n5x n TRP 336 Cb 0.38 -0.21 -0.07 0.00 -2.42 0.00 0.00 31.31 28.98 1n5x n TRP 336 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1n5x s PHE 337 N -2.56 3.16 0.00 -5.99 5.99 -1.05 -3.92 117.98 113.60 1n5x s PHE 337 Ca 0.35 0.18 0.00 0.00 0.00 0.00 0.00 56.93 57.46 1n5x s PHE 337 Cb 0.34 -3.02 0.00 0.00 0.00 0.00 0.00 43.02 40.35 1n5x s PHE 337 CO -0.07 -0.60 0.00 0.00 -0.00 0.00 0.00 175.22 174.56 1n5x n ALA 338 N 5.86 0.00 -3.05 11.12 0.00 -1.26 -4.83 120.51 128.35 1n5x n ALA 338 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n5x n ALA 338 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1n5x n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5x n GLY 339 N 0.00 5.20 0.28 0.00 0.00 -1.26 -3.76 105.19 105.64 1n5x n GLY 339 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1n5x n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5x h LYS 340 N 0.00 0.99 -0.98 1.61 1.79 -1.83 -2.49 116.57 115.66 1n5x h LYS 340 Ca 0.00 -0.46 0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1n5x h LYS 340 Cb 0.00 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 1n5x h LYS 340 CO 0.00 1.13 0.65 1.96 -1.08 0.00 0.00 179.45 182.11 1n5x h GLN 341 N 0.83 1.27 0.15 3.15 7.50 -1.91 -1.96 115.11 124.13 1n5x h GLN 341 Ca 0.09 -0.08 -0.29 0.00 0.50 0.00 0.00 58.65 58.88 1n5x h GLN 341 Cb 0.86 -0.29 0.01 0.00 0.05 0.00 0.00 27.48 28.12 1n5x h GLN 341 CO 0.08 0.84 -1.28 0.28 -1.50 0.00 0.00 178.83 177.24 1n5x h VAL 342 N 1.31 1.46 0.00 -0.54 2.07 -1.86 -3.28 116.25 115.41 1n5x h VAL 342 Ca 0.37 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1n5x h VAL 342 Cb -0.11 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1n5x h VAL 342 CO -0.09 0.88 0.00 0.11 0.02 0.00 0.00 177.57 178.49 1n5x h LYS 343 N 0.09 0.00 0.00 1.57 1.57 -1.32 0.43 116.57 118.91 1n5x h LYS 343 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1n5x h LYS 343 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 1n5x h LYS 343 CO 0.22 0.00 -0.31 0.43 -0.57 0.00 0.00 179.45 179.22 1n5x n SER 344 N -2.68 0.59 0.00 0.86 7.64 -0.75 -0.81 113.62 118.47 1n5x n SER 344 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1n5x n SER 344 Cb 0.32 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1n5x n SER 344 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1n5x n VAL 345 N -1.97 0.00 -1.89 0.44 0.24 -1.06 -4.88 118.33 109.22 1n5x n VAL 345 Ca 0.05 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.93 1n5x n VAL 345 Cb 0.40 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.92 1n5x n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n5x s ALA 346 N -1.89 3.81 0.12 2.33 0.00 0.15 -3.51 121.76 122.78 1n5x s ALA 346 Ca 0.00 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 1n5x s ALA 346 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 1n5x s ALA 346 CO 0.00 -0.81 0.35 -1.54 0.00 0.00 0.00 175.76 173.76 1n5x s SER 347 N 1.13 6.48 0.11 0.00 1.04 -1.26 -1.56 113.70 119.65 1n5x s SER 347 Ca 0.71 0.56 -0.24 0.00 0.48 0.00 0.00 55.95 57.46 1n5x s SER 347 Cb -0.45 -2.08 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 1n5x s SER 347 CO 0.32 0.08 1.69 0.25 0.98 0.00 0.00 173.24 176.56 1n5x h LEU 348 N 2.95 -0.32 -0.51 2.42 6.46 -1.21 -1.98 115.31 123.12 1n5x h LEU 348 Ca -0.46 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.41 1n5x h LEU 348 Cb 1.17 0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 1n5x h LEU 348 CO 0.72 -0.16 0.20 1.23 -0.62 0.00 0.00 178.44 179.81 1n5x h GLY 349 N -0.20 0.69 0.18 3.75 0.00 -1.38 -2.33 103.07 103.77 1n5x h GLY 349 Ca 0.03 -0.12 0.17 0.00 0.00 0.00 0.00 47.33 47.42 1n5x h GLY 349 CO -0.10 0.03 0.53 -1.33 0.00 0.00 0.00 176.54 175.67 1n5x h GLY 350 N 0.39 1.60 0.78 4.60 0.00 -1.53 -2.21 103.07 106.71 1n5x h GLY 350 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1n5x h GLY 350 CO -0.23 -0.05 -0.02 -0.57 0.00 0.00 0.00 176.54 175.67 1n5x h ASN 351 N 0.71 0.31 0.81 0.19 -1.24 -0.87 -2.83 115.58 112.66 1n5x h ASN 351 Ca 0.52 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1n5x h ASN 351 Cb 0.78 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1n5x h ASN 351 CO -0.37 0.58 -0.45 0.40 -1.29 0.00 0.00 177.43 176.29 1n5x h ILE 352 N 0.04 0.09 0.00 2.57 2.04 -1.24 -3.21 117.51 117.78 1n5x h ILE 352 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1n5x h ILE 352 Cb 0.43 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1n5x h ILE 352 CO 0.01 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.36 1n5x h ILE 353 N -1.17 1.13 -0.36 -0.67 1.08 -1.53 -2.29 117.51 113.71 1n5x h ILE 353 Ca -0.11 -0.71 0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1n5x h ILE 353 Cb 0.92 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 1n5x h ILE 353 CO 0.14 0.20 0.24 0.74 -0.69 0.00 0.00 178.15 178.78 1n5x h THR 354 N 0.00 0.96 -6.00 -0.27 2.02 -1.50 -3.45 112.91 104.67 1n5x h THR 354 Ca -0.00 -0.09 -0.38 0.00 0.77 0.00 0.00 66.41 66.70 1n5x h THR 354 Cb 0.37 0.67 0.11 0.00 -1.74 0.00 0.00 68.15 67.56 1n5x h THR 354 CO 0.03 0.05 -0.90 0.00 0.37 0.00 0.00 175.52 175.06 1n5x n ALA 355 N -2.53 -2.45 -2.70 6.16 0.00 -0.86 -4.75 120.51 113.37 1n5x n ALA 355 Ca 0.04 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 1n5x n ALA 355 Cb 0.23 -4.26 -0.04 0.00 0.00 0.00 0.00 19.45 15.39 1n5x n ALA 355 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n5x s SER 356 N -3.58 7.14 0.58 0.00 0.15 -1.26 -3.74 113.70 112.98 1n5x s SER 356 Ca 0.40 1.38 0.34 0.00 0.70 0.00 0.00 55.95 58.77 1n5x s SER 356 Cb -0.11 -2.49 1.40 0.00 -1.71 0.00 0.00 66.02 63.11 1n5x s SER 356 CO 0.82 -0.24 1.67 -0.65 1.20 0.00 0.00 173.24 176.04 1n5x h PRO 357 N 6.89 0.00 -0.46 5.44 0.11 -1.88 0.21 132.00 142.31 1n5x h PRO 357 Ca -0.38 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.47 1n5x h PRO 357 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1n5x h PRO 357 CO 0.77 0.00 -0.02 0.44 -0.21 0.00 0.00 178.00 178.99 1n5x n ILE 358 N -3.77 2.67 -2.06 4.15 -6.64 -1.26 -1.49 119.36 110.95 1n5x n ILE 358 Ca 0.23 -2.78 -0.40 0.00 -1.77 0.00 0.00 62.75 58.03 1n5x n ILE 358 Cb 1.28 -0.41 -0.01 0.00 -1.44 0.00 0.00 39.64 39.06 1n5x n ILE 358 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1n5x s SER 359 N -2.46 6.48 0.08 7.28 0.15 0.73 -4.49 113.70 121.47 1n5x s SER 359 Ca 0.47 2.70 0.23 0.00 0.70 0.00 0.00 55.95 60.04 1n5x s SER 359 Cb 0.42 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1n5x s SER 359 CO 0.01 -0.74 0.96 0.47 1.20 0.00 0.00 173.24 175.15 1n5x n ASP 360 N 0.39 0.59 -0.09 5.45 8.00 -1.26 -4.44 116.55 125.19 1n5x n ASP 360 Ca 0.02 -0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 1n5x n ASP 360 Cb 0.43 0.86 -0.12 0.00 -0.02 0.00 0.00 41.12 42.27 1n5x n ASP 360 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n5x n LEU 361 N -2.18 2.18 -0.25 0.64 4.77 -1.26 -4.35 117.00 116.55 1n5x n LEU 361 Ca 0.01 0.30 0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1n5x n LEU 361 Cb 0.48 -0.97 0.13 0.00 -2.33 0.00 0.00 43.42 40.74 1n5x n LEU 361 CO 0.41 0.55 0.80 0.78 -1.33 0.00 0.00 177.39 178.59 1n5x h ASN 362 N -0.64 -0.43 -0.86 -1.43 2.35 -1.92 0.14 115.58 112.79 1n5x h ASN 362 Ca -0.47 0.20 0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1n5x h ASN 362 Cb 1.61 0.37 -0.09 0.00 0.05 0.00 0.00 38.32 40.26 1n5x h ASN 362 CO -0.18 -0.19 0.47 -0.65 -1.65 0.00 0.00 177.43 175.23 1n5x h PRO 363 N 0.07 0.68 -0.32 0.81 0.11 -1.78 0.02 132.00 131.59 1n5x h PRO 363 Ca 0.39 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.35 1n5x h PRO 363 Cb 0.66 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1n5x h PRO 363 CO -0.68 0.45 -0.22 0.28 -0.21 0.00 0.00 178.00 177.62 1n5x h VAL 364 N 0.70 1.29 -0.14 3.15 2.07 -0.99 -2.50 116.25 119.83 1n5x h VAL 364 Ca 0.45 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1n5x h VAL 364 Cb 0.58 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1n5x h VAL 364 CO -0.33 0.44 -0.12 -0.26 0.02 0.00 0.00 177.57 177.33 1n5x h PHE 365 N 0.47 0.22 0.07 1.57 0.05 -0.29 -2.91 116.94 116.12 1n5x h PHE 365 Ca 0.06 -0.02 -0.28 0.00 3.82 0.00 0.00 57.97 61.55 1n5x h PHE 365 Cb 0.77 -0.07 0.03 0.00 2.00 0.00 0.00 35.95 38.68 1n5x h PHE 365 CO 0.06 0.34 -1.12 1.98 -0.18 0.00 0.00 178.31 179.39 1n5x h MET 366 N 0.21 0.64 0.00 1.51 4.05 -0.96 -1.19 114.93 119.19 1n5x h MET 366 Ca 0.04 -0.78 0.00 0.00 -0.28 0.00 0.00 59.70 58.68 1n5x h MET 366 Cb 0.34 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1n5x h MET 366 CO 0.02 1.35 0.00 0.00 0.23 0.00 0.00 176.91 178.50 1n5x n ALA 367 N -2.66 1.57 0.06 0.39 0.00 -0.95 -2.35 120.51 116.57 1n5x n ALA 367 Ca -0.12 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1n5x n ALA 367 Cb 0.92 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 19.06 1n5x n ALA 367 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n5x n SER 368 N -2.13 1.87 -4.03 0.00 3.41 -1.11 -4.55 113.62 107.08 1n5x n SER 368 Ca 0.02 -1.59 -0.32 0.00 -0.26 0.00 0.00 58.87 56.72 1n5x n SER 368 Cb 0.19 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1n5x n SER 368 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n5x n GLY 369 N 0.09 -0.43 3.65 5.00 0.00 -0.83 -4.83 105.19 107.83 1n5x n GLY 369 Ca 0.04 0.16 -0.49 0.00 0.00 0.00 0.00 46.02 45.73 1n5x n GLY 369 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n5x n THR 370 N -4.51 0.08 -2.10 2.61 -1.04 -0.51 -4.14 114.28 104.66 1n5x n THR 370 Ca -0.01 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1n5x n THR 370 Cb 0.54 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 1n5x n THR 370 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1n5x s LYS 371 N 1.26 4.20 -0.27 -2.82 -0.14 -1.05 -2.05 119.74 118.87 1n5x s LYS 371 Ca 0.83 2.07 -0.06 0.00 -1.36 0.00 0.00 55.97 57.45 1n5x s LYS 371 Cb -0.79 -3.92 -0.00 0.00 -1.68 0.00 0.00 37.83 31.44 1n5x s LYS 371 CO 0.44 -0.81 0.04 -0.51 -0.76 0.00 0.00 175.35 173.75 1n5x s LEU 372 N 3.87 3.51 -0.58 3.17 1.43 -0.56 -0.54 118.68 128.98 1n5x s LEU 372 Ca 0.69 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1n5x s LEU 372 Cb -0.31 -1.85 0.11 0.00 0.03 0.00 0.00 46.19 44.17 1n5x s LEU 372 CO 0.26 -0.11 0.66 -0.89 0.23 0.00 0.00 176.35 176.50 1n5x s THR 373 N 1.51 4.90 -0.04 5.49 2.01 -0.35 -1.69 115.64 127.47 1n5x s THR 373 Ca 0.04 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 1n5x s THR 373 Cb -0.16 -4.45 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 1n5x s THR 373 CO 0.01 -1.06 0.35 -0.63 -0.69 0.00 0.00 174.62 172.60 1n5x s ILE 374 N 2.47 5.15 0.25 1.82 1.01 -0.13 -0.94 121.20 130.83 1n5x s ILE 374 Ca 0.10 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.47 1n5x s ILE 374 Cb -0.25 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1n5x s ILE 374 CO 0.06 0.55 0.13 0.68 0.00 0.00 0.00 174.94 176.36 1n5x s VAL 375 N -0.80 0.27 -0.07 2.92 -7.23 -0.84 -1.26 120.40 113.39 1n5x s VAL 375 Ca 0.22 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 1n5x s VAL 375 Cb -0.15 -2.55 0.11 0.00 0.56 0.00 0.00 36.38 34.35 1n5x s VAL 375 CO 0.11 0.00 0.98 -0.94 -0.31 0.00 0.00 175.10 174.93 1n5x s SER 376 N -3.28 -0.31 -0.36 4.85 1.04 -1.10 -1.67 113.70 112.87 1n5x s SER 376 Ca 0.38 0.04 -0.38 0.00 0.48 0.00 0.00 55.95 56.47 1n5x s SER 376 Cb 0.07 0.32 -0.14 0.00 0.10 0.00 0.00 66.02 66.37 1n5x s SER 376 CO 0.15 -0.50 2.09 -1.14 0.98 0.00 0.00 173.24 174.82 1n5x n ARG 377 N -0.10 0.92 0.00 4.02 0.63 -1.26 -1.62 116.66 119.24 1n5x n ARG 377 Ca -0.07 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1n5x n ARG 377 Cb 0.60 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1n5x n ARG 377 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n5x n GLY 378 N 6.24 2.66 3.92 5.14 0.00 -1.26 -5.02 105.19 116.86 1n5x n GLY 378 Ca 0.41 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1n5x n GLY 378 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n5x s THR 379 N 0.00 3.62 -0.30 2.61 -4.23 -0.64 -5.10 115.64 111.60 1n5x s THR 379 Ca 0.00 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 1n5x s THR 379 Cb 0.00 -3.45 0.18 0.00 1.34 0.00 0.00 72.50 70.57 1n5x s THR 379 CO 0.00 -0.47 1.12 -0.60 -0.54 0.00 0.00 174.62 174.13 1n5x s ARG 380 N -5.02 0.12 0.23 3.99 3.52 -1.26 -2.72 118.95 117.81 1n5x s ARG 380 Ca 0.54 0.21 0.07 0.00 -0.13 0.00 0.00 55.73 56.42 1n5x s ARG 380 Cb -0.11 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.35 1n5x s ARG 380 CO 0.46 -0.14 -0.12 -0.98 -0.81 0.00 0.00 175.30 173.71 1n5x s ARG 381 N 2.97 1.40 -0.18 5.12 1.70 -0.39 -5.01 118.95 124.55 1n5x s ARG 381 Ca -0.02 -1.65 -0.02 0.00 -0.47 0.00 0.00 55.73 53.58 1n5x s ARG 381 Cb -0.09 -1.12 0.05 0.00 -0.57 0.00 0.00 34.95 33.22 1n5x s ARG 381 CO -0.11 0.14 -0.00 0.99 -1.08 0.00 0.00 175.30 175.24 1n5x s THR 382 N -2.99 0.80 0.01 4.99 2.01 -1.26 -0.95 115.64 118.25 1n5x s THR 382 Ca 0.25 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.71 1n5x s THR 382 Cb 0.01 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1n5x s THR 382 CO 0.08 -0.06 -0.19 0.68 -0.69 0.00 0.00 174.62 174.45 1n5x s VAL 383 N 1.75 1.48 0.27 3.82 -7.23 -0.68 -4.90 120.40 114.90 1n5x s VAL 383 Ca -0.01 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 1n5x s VAL 383 Cb -0.16 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 1n5x s VAL 383 CO -0.07 0.31 1.01 -2.16 -0.31 0.00 0.00 175.10 173.88 1n5x s PRO 384 N -0.72 4.73 0.24 4.82 0.04 -1.26 -1.50 135.00 141.34 1n5x s PRO 384 Ca 0.07 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1n5x s PRO 384 Cb -0.08 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 1n5x s PRO 384 CO 0.00 0.35 1.37 1.41 0.04 0.00 0.00 177.00 180.17 1n5x s MET 385 N -1.39 4.33 0.38 4.56 1.75 -0.87 -4.92 119.30 123.14 1n5x s MET 385 Ca 0.44 2.19 -0.08 0.00 -1.25 0.00 0.00 55.69 56.98 1n5x s MET 385 Cb -0.28 -3.14 0.03 0.00 2.84 0.00 0.00 34.83 34.28 1n5x s MET 385 CO 0.35 -0.31 0.63 0.16 -0.65 0.00 0.00 175.02 175.20 1n5x s ASP 386 N 0.22 0.59 0.58 1.11 1.47 -1.26 -3.95 116.67 115.43 1n5x s ASP 386 Ca 0.57 -1.39 0.28 0.00 1.18 0.00 0.00 52.55 53.19 1n5x s ASP 386 Cb -0.39 0.77 1.51 0.00 -0.34 0.00 0.00 42.92 44.47 1n5x s ASP 386 CO 0.42 -1.52 1.97 1.12 0.68 0.00 0.00 175.17 177.84 1n5x h HIS 387 N 2.04 0.00 0.00 2.11 2.07 -1.94 -1.83 115.15 117.60 1n5x h HIS 387 Ca -0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1n5x h HIS 387 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1n5x h HIS 387 CO 1.58 0.00 0.00 1.79 -3.07 0.00 0.00 177.93 178.23 1n5x h THR 388 N 0.00 0.00 -0.29 6.12 1.35 -1.96 -3.23 112.91 114.90 1n5x h THR 388 Ca 0.19 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1n5x h THR 388 Cb 0.99 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1n5x h THR 388 CO -0.00 0.00 0.04 0.15 -0.25 0.00 0.00 175.52 175.46 1n5x h PHE 389 N 0.00 0.43 -3.33 4.73 3.57 -1.71 -3.31 116.94 117.31 1n5x h PHE 389 Ca 0.00 -0.03 -0.74 0.00 3.53 0.00 0.00 57.97 60.73 1n5x h PHE 389 Cb 0.53 -0.13 -0.33 0.00 2.79 0.00 0.00 35.95 38.82 1n5x h PHE 389 CO 0.00 0.41 0.13 1.19 -2.23 0.00 0.00 178.31 177.81 1n5x n PHE 390 N -4.34 4.45 0.01 0.41 3.01 -1.22 -1.41 117.46 118.37 1n5x n PHE 390 Ca 0.01 -3.97 -0.15 0.00 1.01 0.00 0.00 57.45 54.35 1n5x n PHE 390 Cb 0.19 -1.32 -0.09 0.00 -0.01 0.00 0.00 39.48 38.25 1n5x n PHE 390 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1n5x h PRO 391 N 6.11 -0.56 0.00 -1.08 0.11 -1.67 -3.47 132.00 131.44 1n5x h PRO 391 Ca 0.17 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1n5x h PRO 391 Cb 0.81 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1n5x h PRO 391 CO 0.94 -0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 1n5x n SER 392 N -5.29 0.44 -4.63 -2.05 3.41 -1.26 -5.06 113.62 99.18 1n5x n SER 392 Ca -0.06 -0.96 -0.47 0.00 -0.26 0.00 0.00 58.87 57.12 1n5x n SER 392 Cb 0.37 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1n5x n SER 392 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n5x n TYR 393 N 0.00 1.79 -2.60 7.33 9.36 -1.26 -2.21 117.16 129.58 1n5x n TYR 393 Ca 0.00 0.52 -0.04 0.00 3.32 0.00 0.00 57.90 61.70 1n5x n TYR 393 Cb 0.00 -2.39 -0.01 0.00 -0.63 0.00 0.00 39.34 36.31 1n5x n TYR 393 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1n5x n ARG 394 N 2.22 -2.70 -4.33 2.98 1.74 -1.25 -4.91 116.66 110.42 1n5x n ARG 394 Ca 0.15 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 57.01 1n5x n ARG 394 Cb 0.27 -4.31 -0.12 0.00 -1.02 0.00 0.00 32.46 27.28 1n5x n ARG 394 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1n5x s LYS 395 N -4.98 1.26 0.31 5.56 2.20 -0.94 -4.80 119.74 118.36 1n5x s LYS 395 Ca 0.08 -1.35 0.03 0.00 -0.36 0.00 0.00 55.97 54.37 1n5x s LYS 395 Cb -0.04 -1.42 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 1n5x s LYS 395 CO 0.09 0.30 0.16 0.95 -0.36 0.00 0.00 175.35 176.49 1n5x s THR 396 N -1.73 0.37 -0.33 3.43 -4.23 -1.26 -3.84 115.64 108.04 1n5x s THR 396 Ca 0.14 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1n5x s THR 396 Cb -0.07 -2.51 0.14 0.00 1.34 0.00 0.00 72.50 71.40 1n5x s THR 396 CO 0.06 0.00 2.30 0.18 -0.54 0.00 0.00 174.62 176.62 1n5x n LEU 397 N -0.61 6.39 -4.84 4.79 4.77 -0.50 -4.84 117.00 122.17 1n5x n LEU 397 Ca 0.01 -3.49 -0.31 0.00 -0.03 0.00 0.00 56.01 52.19 1n5x n LEU 397 Cb 0.65 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 1n5x n LEU 397 CO 0.35 1.38 -0.21 -0.76 -1.33 0.00 0.00 177.39 176.82 1n5x s LEU 398 N -1.79 4.08 0.52 2.23 2.01 -1.26 -5.10 118.68 119.37 1n5x s LEU 398 Ca 0.40 0.15 -0.16 0.00 0.01 0.00 0.00 54.13 54.52 1n5x s LEU 398 Cb 0.28 -2.65 -0.07 0.00 0.01 0.00 0.00 46.19 43.75 1n5x s LEU 398 CO -0.06 0.19 0.99 -0.83 1.01 0.00 0.00 176.35 177.65 1n5x s GLY 399 N -2.31 2.03 0.33 -3.19 0.00 -1.26 -4.92 107.32 97.99 1n5x s GLY 399 Ca 0.30 0.16 0.22 0.00 0.00 0.00 0.00 44.72 45.41 1n5x s GLY 399 CO 0.23 0.44 1.68 -1.55 0.00 0.00 0.00 173.10 173.89 1n5x n PRO 400 N -1.69 0.14 -0.17 2.90 -0.04 -1.26 -0.45 135.00 134.44 1n5x n PRO 400 Ca 0.07 0.64 0.05 0.00 -0.04 0.00 0.00 63.50 64.21 1n5x n PRO 400 Cb 0.54 -1.97 0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1n5x n PRO 400 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n5x n GLU 401 N -2.27 2.88 -3.87 0.54 1.02 -1.26 -4.57 120.64 113.11 1n5x n GLU 401 Ca -0.01 -2.02 -0.29 0.00 -0.02 0.00 0.00 57.16 54.82 1n5x n GLU 401 Cb 0.04 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1n5x n GLU 401 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1n5x s GLU 402 N -1.03 3.47 -0.02 3.49 2.02 0.40 -4.55 118.70 122.49 1n5x s GLU 402 Ca 0.21 -0.43 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 1n5x s GLU 402 Cb 0.11 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.38 1n5x s GLU 402 CO 0.14 0.54 0.04 0.96 0.02 0.00 0.00 175.26 176.96 1n5x s ILE 403 N -1.65 -0.01 -0.05 -1.63 -5.25 -0.67 -4.71 121.20 107.23 1n5x s ILE 403 Ca 0.36 0.02 -0.30 0.00 -0.99 0.00 0.00 60.65 59.74 1n5x s ILE 403 Cb -0.12 -0.07 -0.04 0.00 2.95 0.00 0.00 42.46 45.18 1n5x s ILE 403 CO 0.28 0.01 1.32 -0.22 -1.79 0.00 0.00 174.94 174.53 1n5x s LEU 404 N 0.14 4.28 -0.22 0.37 2.96 -1.26 -1.99 118.68 122.96 1n5x s LEU 404 Ca -0.01 1.94 -0.11 0.00 -0.22 0.00 0.00 54.13 55.73 1n5x s LEU 404 Cb -0.02 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.94 1n5x s LEU 404 CO -0.00 -0.69 -0.01 -0.11 -1.32 0.00 0.00 176.35 174.22 1n5x n LEU 405 N 5.60 2.30 -3.77 -0.68 7.94 -0.12 -4.58 117.00 123.69 1n5x n LEU 405 Ca 0.13 0.23 -0.10 0.00 -1.11 0.00 0.00 56.01 55.16 1n5x n LEU 405 Cb 0.45 -0.95 -0.05 0.00 0.53 0.00 0.00 43.42 43.40 1n5x n LEU 405 CO 0.57 0.64 0.09 -0.94 -1.11 0.00 0.00 177.39 176.64 1n5x s SER 406 N -7.01 -0.11 -0.03 1.96 1.04 -1.14 -0.91 113.70 107.50 1n5x s SER 406 Ca -0.32 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1n5x s SER 406 Cb 0.09 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1n5x s SER 406 CO 0.60 -0.88 -0.07 -0.63 0.98 0.00 0.00 173.24 173.24 1n5x s ILE 407 N -3.87 0.68 -0.37 -1.02 1.09 0.22 -1.21 121.20 116.72 1n5x s ILE 407 Ca 0.08 -0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1n5x s ILE 407 Cb 0.02 -0.64 0.10 0.00 -1.06 0.00 0.00 42.46 40.88 1n5x s ILE 407 CO -0.07 0.23 0.13 -0.70 -0.10 0.00 0.00 174.94 174.43 1n5x s GLU 408 N 0.48 1.76 -0.17 2.79 2.12 0.30 0.10 118.70 126.08 1n5x s GLU 408 Ca -0.07 -1.84 -0.29 0.00 0.36 0.00 0.00 54.97 53.13 1n5x s GLU 408 Cb -0.11 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1n5x s GLU 408 CO 0.01 -1.00 1.24 0.42 -0.54 0.00 0.00 175.26 175.39 1n5x s ILE 409 N 1.03 4.31 0.45 -3.70 1.01 -0.50 -2.53 121.20 121.28 1n5x s ILE 409 Ca 0.09 1.59 -0.25 0.00 0.00 0.00 0.00 60.65 62.09 1n5x s ILE 409 Cb -0.21 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 1n5x s ILE 409 CO -0.06 -0.13 1.35 -2.16 0.00 0.00 0.00 174.94 173.93 1n5x s PRO 410 N 3.41 3.68 0.93 2.79 0.04 -1.26 -2.39 135.00 142.20 1n5x s PRO 410 Ca 0.54 2.23 -0.12 0.00 0.04 0.00 0.00 61.00 63.69 1n5x s PRO 410 Cb -0.21 -2.59 0.15 0.00 0.04 0.00 0.00 34.50 31.89 1n5x s PRO 410 CO 0.14 -0.75 1.13 0.71 0.04 0.00 0.00 177.00 178.26 1n5x s TYR 411 N -1.27 2.41 -0.20 0.56 4.12 -0.56 -4.58 117.35 117.83 1n5x s TYR 411 Ca 0.62 0.89 -0.06 0.00 0.02 0.00 0.00 57.07 58.54 1n5x s TYR 411 Cb -0.40 -3.35 -0.03 0.00 -1.52 0.00 0.00 41.96 36.66 1n5x s TYR 411 CO 0.50 -2.49 0.02 0.45 0.02 0.00 0.00 175.55 174.05 1n5x s SER 412 N -3.88 5.03 0.73 2.29 0.15 0.22 -4.89 113.70 113.35 1n5x s SER 412 Ca 0.64 -0.15 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 1n5x s SER 412 Cb -0.16 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.32 1n5x s SER 412 CO 0.54 0.07 1.11 -0.13 1.20 0.00 0.00 173.24 176.04 1n5x s ARG 413 N 0.95 2.61 0.67 5.44 0.52 -1.26 -3.58 118.95 124.30 1n5x s ARG 413 Ca 0.02 0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 55.41 1n5x s ARG 413 Cb -0.14 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.32 1n5x s ARG 413 CO 0.02 -1.18 1.18 -1.21 0.02 0.00 0.00 175.30 174.14 1n5x s GLU 414 N -5.40 2.55 -1.59 3.54 0.41 -1.26 -2.71 118.70 114.23 1n5x s GLU 414 Ca 0.59 1.70 0.00 0.00 -0.41 0.00 0.00 54.97 56.85 1n5x s GLU 414 Cb -0.11 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1n5x s GLU 414 CO 0.51 -1.51 0.00 -0.25 -0.49 0.00 0.00 175.26 173.52 1n5x n ASP 415 N -2.29 -4.89 -3.98 -0.19 8.00 -1.26 -4.82 116.55 107.12 1n5x n ASP 415 Ca 0.13 0.19 -0.28 0.00 0.71 0.00 0.00 54.79 55.54 1n5x n ASP 415 Cb 0.50 -4.20 -0.17 0.00 -0.02 0.00 0.00 41.12 37.24 1n5x n ASP 415 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1n5x s GLU 416 N -4.52 1.92 0.05 -1.24 2.12 -1.10 -1.03 118.70 114.91 1n5x s GLU 416 Ca 0.00 -0.42 0.07 0.00 0.36 0.00 0.00 54.97 54.98 1n5x s GLU 416 Cb 0.00 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 1n5x s GLU 416 CO 0.00 -0.21 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.26 1n5x s PHE 417 N 1.46 1.64 0.23 5.30 0.40 -0.25 -4.72 117.98 122.03 1n5x s PHE 417 Ca 0.02 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.06 1n5x s PHE 417 Cb -0.13 -0.96 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 1n5x s PHE 417 CO -0.08 0.09 -0.14 0.12 0.70 0.00 0.00 175.22 175.92 1n5x s PHE 418 N -0.88 1.84 0.04 0.36 5.36 -1.26 -1.59 117.98 121.85 1n5x s PHE 418 Ca 0.05 -0.55 -0.24 0.00 -0.96 0.00 0.00 56.93 55.23 1n5x s PHE 418 Cb -0.09 -0.87 0.06 0.00 -0.34 0.00 0.00 43.02 41.78 1n5x s PHE 418 CO 0.02 0.40 0.57 -1.12 -1.46 0.00 0.00 175.22 173.63 1n5x s SER 419 N -3.37 -0.51 -0.14 6.13 0.01 -0.30 -4.95 113.70 110.58 1n5x s SER 419 Ca 0.25 0.27 -0.06 0.00 1.31 0.00 0.00 55.95 57.71 1n5x s SER 419 Cb -0.01 0.52 0.06 0.00 0.21 0.00 0.00 66.02 66.80 1n5x s SER 419 CO 0.09 -0.73 0.32 0.00 0.41 0.00 0.00 173.24 173.33 1n5x s ALA 420 N -2.37 -0.78 0.15 1.44 0.00 -1.26 -0.64 121.76 118.30 1n5x s ALA 420 Ca -0.06 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1n5x s ALA 420 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1n5x s ALA 420 CO -0.01 -0.41 -0.17 -0.06 0.00 0.00 0.00 175.76 175.12 1n5x s PHE 421 N 1.79 1.66 -0.14 0.00 2.99 -1.12 -4.83 117.98 118.33 1n5x s PHE 421 Ca -0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 56.93 56.24 1n5x s PHE 421 Cb -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 43.02 42.11 1n5x s PHE 421 CO -0.10 0.25 0.37 0.21 -0.00 0.00 0.00 175.22 175.95 1n5x s LYS 422 N -2.73 0.43 -0.07 0.44 2.20 -1.26 -0.44 119.74 118.31 1n5x s LYS 422 Ca 0.13 0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 56.23 1n5x s LYS 422 Cb -0.05 0.20 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1n5x s LYS 422 CO 0.05 -0.06 0.15 -1.14 -0.36 0.00 0.00 175.35 173.99 1n5x s GLN 423 N 0.23 0.08 0.00 4.03 2.00 -0.79 -5.01 119.66 120.21 1n5x s GLN 423 Ca -0.00 0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 1n5x s GLN 423 Cb -0.03 -0.19 0.00 0.00 0.80 0.00 0.00 33.01 33.59 1n5x s GLN 423 CO 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 175.29 174.61 1n5x n ALA 424 N 4.34 0.00 -0.10 1.58 0.00 -1.26 -0.39 120.51 124.68 1n5x n ALA 424 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1n5x n ALA 424 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1n5x n ALA 424 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n5x n SER 425 N 0.00 1.91 -4.03 0.00 7.64 -1.26 -4.79 113.62 113.08 1n5x n SER 425 Ca 0.00 -0.08 -0.23 0.00 1.01 0.00 0.00 58.87 59.56 1n5x n SER 425 Cb 0.00 0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.06 1n5x n SER 425 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1n5x s ARG 426 N -2.42 1.44 0.15 1.43 3.52 -1.26 -4.70 118.95 117.11 1n5x s ARG 426 Ca -0.23 -0.40 -0.17 0.00 -0.13 0.00 0.00 55.73 54.80 1n5x s ARG 426 Cb 0.07 -1.25 0.06 0.00 -1.56 0.00 0.00 34.95 32.28 1n5x s ARG 426 CO 0.55 0.09 1.71 -0.09 -0.81 0.00 0.00 175.30 176.75 1n5x h ARG 427 N 6.66 0.11 -6.47 5.12 2.43 -1.96 -3.40 114.38 116.86 1n5x h ARG 427 Ca -0.32 -0.01 -0.53 0.00 -0.81 0.00 0.00 59.98 58.31 1n5x h ARG 427 Cb 1.18 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1n5x h ARG 427 CO 0.48 0.08 0.37 -1.21 -1.51 0.00 0.00 179.97 178.17 1n5x s GLU 428 N -6.18 4.61 -0.07 0.20 8.01 -1.26 -4.58 118.70 119.43 1n5x s GLU 428 Ca -0.13 1.43 -0.06 0.00 0.01 0.00 0.00 54.97 56.22 1n5x s GLU 428 Cb 0.13 -3.43 0.01 0.00 -4.31 0.00 0.00 34.13 26.53 1n5x s GLU 428 CO 0.70 0.05 0.11 -3.47 0.01 0.00 0.00 175.26 172.66 1n5x n ASP 429 N 3.46 -5.29 -3.57 -0.19 2.03 -1.25 -5.01 116.55 106.73 1n5x n ASP 429 Ca 0.05 0.24 -0.17 0.00 0.52 0.00 0.00 54.79 55.43 1n5x n ASP 429 Cb 0.50 -1.31 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 1n5x n ASP 429 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1n5x s ASP 430 N -0.90 -0.57 -0.05 1.67 2.15 -1.26 -4.88 116.67 112.83 1n5x s ASP 430 Ca 0.06 0.59 -0.30 0.00 0.43 0.00 0.00 52.55 53.33 1n5x s ASP 430 Cb -0.01 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 43.06 1n5x s ASP 430 CO 0.14 -0.58 1.44 -0.63 -0.17 0.00 0.00 175.17 175.37 1n5x s ILE 431 N -1.24 3.79 0.36 4.11 1.01 -1.26 -4.87 121.20 123.09 1n5x s ILE 431 Ca -0.11 1.08 -0.28 0.00 0.00 0.00 0.00 60.65 61.34 1n5x s ILE 431 Cb -0.01 -3.70 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 1n5x s ILE 431 CO 0.09 -0.05 1.37 0.00 0.00 0.00 0.00 174.94 176.35 1n5x s ALA 432 N 3.06 3.49 -0.15 9.38 0.00 -1.26 -4.65 121.76 131.63 1n5x s ALA 432 Ca 0.64 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.69 1n5x s ALA 432 Cb -0.30 -3.52 -0.25 0.00 0.00 0.00 0.00 23.12 19.05 1n5x s ALA 432 CO 0.25 -0.80 0.71 0.87 0.00 0.00 0.00 175.76 176.78 1n5x h LYS 433 N 3.17 0.00 -3.15 0.00 1.79 -1.05 -3.46 116.57 113.87 1n5x h LYS 433 Ca -0.50 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.75 1n5x h LYS 433 Cb 1.23 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.57 1n5x h LYS 433 CO 0.65 1.00 -0.56 0.08 -1.08 0.00 0.00 179.45 179.54 1n5x s VAL 434 N -2.24 -0.07 0.04 0.50 1.01 -1.16 -4.34 120.40 114.15 1n5x s VAL 434 Ca -0.20 0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1n5x s VAL 434 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1n5x s VAL 434 CO 0.68 0.07 -0.08 0.28 0.00 0.00 0.00 175.10 176.05 1n5x s THR 435 N 1.30 0.54 0.27 3.92 -1.32 -0.84 -1.88 115.64 117.64 1n5x s THR 435 Ca -0.08 -1.09 -0.08 0.00 -1.21 0.00 0.00 61.69 59.23 1n5x s THR 435 Cb -0.11 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1n5x s THR 435 CO -0.07 -0.39 0.43 0.00 -2.21 0.00 0.00 174.62 172.39 1n5x s GLY 437 N -3.10 0.20 -0.07 0.00 0.00 -0.19 -2.81 107.32 101.33 1n5x s GLY 437 Ca 0.27 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.22 1n5x s GLY 437 CO 0.13 0.98 -0.14 1.06 0.00 0.00 0.00 173.10 175.13 1n5x s MET 438 N 1.56 1.94 0.01 2.90 -1.94 0.19 -1.82 119.30 122.15 1n5x s MET 438 Ca -0.03 -0.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 1n5x s MET 438 Cb -0.13 -1.58 -0.01 0.00 2.01 0.00 0.00 34.83 35.12 1n5x s MET 438 CO -0.03 0.04 -0.07 0.50 -0.01 0.00 0.00 175.02 175.45 1n5x s ARG 439 N 0.66 0.50 -0.01 2.03 3.52 -0.62 -1.14 118.95 123.89 1n5x s ARG 439 Ca -0.14 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1n5x s ARG 439 Cb -0.16 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 1n5x s ARG 439 CO 0.04 0.10 0.04 0.54 -0.81 0.00 0.00 175.30 175.21 1n5x s VAL 440 N -0.58 0.02 -0.08 7.11 0.11 -0.62 -1.10 120.40 125.25 1n5x s VAL 440 Ca -0.02 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1n5x s VAL 440 Cb -0.05 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1n5x s VAL 440 CO 0.00 -0.09 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.39 1n5x s LEU 441 N -0.26 1.25 0.33 2.54 2.96 0.70 -1.09 118.68 125.10 1n5x s LEU 441 Ca -0.03 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1n5x s LEU 441 Cb -0.02 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 1n5x s LEU 441 CO -0.00 -0.08 0.32 -0.36 -1.32 0.00 0.00 176.35 174.91 1n5x s PHE 442 N 1.34 2.95 0.44 5.38 0.40 -0.20 0.95 117.98 129.24 1n5x s PHE 442 Ca -0.03 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1n5x s PHE 442 Cb -0.14 -1.82 -0.08 0.00 0.51 0.00 0.00 43.02 41.50 1n5x s PHE 442 CO -0.03 0.16 1.23 -0.65 0.70 0.00 0.00 175.22 176.62 1n5x s GLN 443 N -4.02 3.81 -0.14 0.44 -1.52 -0.21 -4.75 119.66 113.27 1n5x s GLN 443 Ca 0.41 1.95 -0.20 0.00 -1.95 0.00 0.00 55.36 55.58 1n5x s GLN 443 Cb -0.06 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 30.09 1n5x s GLN 443 CO 0.27 -0.56 0.62 -2.30 -0.25 0.00 0.00 175.29 173.08 1n5x n PRO 444 N -0.25 0.00 -0.99 2.91 -0.02 -1.26 -0.39 135.00 135.01 1n5x n PRO 444 Ca 0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.48 1n5x n PRO 444 Cb 0.46 -0.66 -0.02 0.00 -0.02 0.00 0.00 33.50 33.26 1n5x n PRO 444 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5x n GLY 445 N 1.37 0.53 2.04 -1.23 0.00 -1.26 -4.91 105.19 101.72 1n5x n GLY 445 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1n5x n GLY 445 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n5x n SER 446 N 0.52 1.91 -0.44 1.61 3.41 0.48 -5.02 113.62 116.08 1n5x n SER 446 Ca -0.06 -2.01 0.07 0.00 -0.26 0.00 0.00 58.87 56.62 1n5x n SER 446 Cb 0.23 -0.03 0.18 0.00 -0.26 0.00 0.00 64.21 64.33 1n5x n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1n5x n MET 447 N -1.21 1.61 -3.71 4.33 2.81 -1.26 -4.69 117.12 115.01 1n5x n MET 447 Ca -0.01 -2.91 -0.37 0.00 -1.81 0.00 0.00 57.70 52.61 1n5x n MET 447 Cb 0.33 -1.61 -0.11 0.00 -0.71 0.00 0.00 33.22 31.13 1n5x n MET 447 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1n5x s GLN 448 N -3.03 3.90 0.14 0.03 0.74 -1.26 -0.57 119.66 119.61 1n5x s GLN 448 Ca 0.36 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 55.11 1n5x s GLN 448 Cb 0.33 -3.48 -0.10 0.00 1.10 0.00 0.00 33.01 30.86 1n5x s GLN 448 CO 0.00 -0.06 1.70 0.08 -0.55 0.00 0.00 175.29 176.46 1n5x s VAL 449 N 1.36 2.55 -0.10 1.34 1.01 -0.23 -1.04 120.40 125.29 1n5x s VAL 449 Ca 0.06 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1n5x s VAL 449 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1n5x s VAL 449 CO 0.06 0.01 -0.22 1.17 0.00 0.00 0.00 175.10 176.12 1n5x n LYS 450 N 4.85 0.34 -5.08 2.72 4.81 0.27 0.25 118.16 126.32 1n5x n LYS 450 Ca 0.16 0.14 -0.28 0.00 -0.87 0.00 0.00 58.31 57.45 1n5x n LYS 450 Cb 0.38 -1.09 -0.16 0.00 0.02 0.00 0.00 35.03 34.18 1n5x n LYS 450 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1n5x s GLU 451 N -2.51 1.93 -0.15 1.64 2.02 -0.25 -4.68 118.70 116.71 1n5x s GLU 451 Ca -0.20 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 53.96 1n5x s GLU 451 Cb 0.04 -1.78 0.08 0.00 0.10 0.00 0.00 34.13 32.56 1n5x s GLU 451 CO 0.28 0.42 0.28 -1.17 0.02 0.00 0.00 175.26 175.09 1n5x s LEU 452 N -0.36 -0.33 -0.08 1.80 2.96 -1.26 -0.21 118.68 121.20 1n5x s LEU 452 Ca 0.04 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1n5x s LEU 452 Cb -0.10 0.74 0.01 0.00 0.50 0.00 0.00 46.19 47.34 1n5x s LEU 452 CO 0.00 -0.26 -0.13 0.00 -1.32 0.00 0.00 176.35 174.65 1n5x s ALA 453 N 2.43 1.42 -0.25 5.97 0.00 -0.26 -4.80 121.76 126.27 1n5x s ALA 453 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1n5x s ALA 453 Cb -0.13 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.40 1n5x s ALA 453 CO -0.10 0.06 -0.05 -0.51 0.00 0.00 0.00 175.76 175.16 1n5x s LEU 454 N 0.77 2.82 -0.14 0.00 1.43 -1.26 -1.60 118.68 120.70 1n5x s LEU 454 Ca -0.12 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.71 1n5x s LEU 454 Cb -0.16 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1n5x s LEU 454 CO 0.02 -0.24 -0.18 0.00 0.23 0.00 0.00 176.35 176.18 1n5x s TYR 456 N 0.70 2.48 0.12 0.00 1.51 -0.06 -1.03 117.35 121.07 1n5x s TYR 456 Ca -0.08 -0.28 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 1n5x s TYR 456 Cb -0.16 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1n5x s TYR 456 CO 0.01 0.60 -0.23 0.20 -1.11 0.00 0.00 175.55 175.03 1n5x s GLY 457 N -3.22 1.37 0.00 0.71 0.00 0.20 -2.24 107.32 104.15 1n5x s GLY 457 Ca 0.27 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1n5x s GLY 457 CO 0.15 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1n5x n GLY 458 N 0.94 0.63 0.00 0.20 0.00 -0.56 -1.98 105.19 104.43 1n5x n GLY 458 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 1n5x n GLY 458 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n5x n MET 459 N -2.72 3.94 -2.79 1.61 2.00 -1.26 -4.75 117.12 113.14 1n5x n MET 459 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 57.70 57.62 1n5x n MET 459 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 33.22 32.42 1n5x n MET 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1n5x n ALA 460 N -1.25 0.06 0.17 3.04 0.00 -1.26 -4.99 120.51 116.27 1n5x n ALA 460 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 53.44 52.70 1n5x n ALA 460 Cb 0.05 0.63 0.20 0.00 0.00 0.00 0.00 19.45 20.33 1n5x n ALA 460 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n5x n ASP 461 N -2.14 3.17 -3.56 0.00 5.68 -1.26 -4.82 116.55 113.62 1n5x n ASP 461 Ca 0.02 -2.40 -0.06 0.00 -0.50 0.00 0.00 54.79 51.85 1n5x n ASP 461 Cb 0.26 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 39.68 1n5x n ASP 461 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n5x s ARG 462 N -1.83 0.53 0.26 0.11 1.70 -1.26 -3.95 118.95 114.51 1n5x s ARG 462 Ca 0.27 -0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 1n5x s ARG 462 Cb 0.20 0.24 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 1n5x s ARG 462 CO 0.09 -0.23 1.50 0.99 -1.08 0.00 0.00 175.30 176.57 1n5x s THR 463 N -2.59 2.45 0.13 4.99 2.01 -1.26 -4.84 115.64 116.54 1n5x s THR 463 Ca 0.07 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1n5x s THR 463 Cb -0.01 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1n5x s THR 463 CO -0.06 0.06 -0.09 0.27 -0.69 0.00 0.00 174.62 174.11 1n5x s ILE 464 N 0.03 1.02 -0.10 1.82 -4.36 -0.95 -4.88 121.20 113.78 1n5x s ILE 464 Ca 0.61 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1n5x s ILE 464 Cb -0.44 -1.81 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 1n5x s ILE 464 CO 0.44 -0.78 -0.17 -0.55 0.24 0.00 0.00 174.94 174.13 1n5x s SER 465 N -3.13 3.71 -1.39 4.36 0.15 -1.26 -0.88 113.70 115.26 1n5x s SER 465 Ca 0.15 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.35 1n5x s SER 465 Cb 0.03 -1.29 -0.09 0.00 -1.71 0.00 0.00 66.02 62.96 1n5x s SER 465 CO -0.01 0.21 2.78 0.00 1.20 0.00 0.00 173.24 177.42 1n5x n ALA 466 N 3.18 6.82 -0.13 5.45 0.00 0.87 -4.72 120.51 131.98 1n5x n ALA 466 Ca -0.18 -3.08 -0.04 0.00 0.00 0.00 0.00 53.44 50.14 1n5x n ALA 466 Cb 0.53 -3.24 0.02 0.00 0.00 0.00 0.00 19.45 16.75 1n5x n ALA 466 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n5x h LEU 467 N 7.23 -0.38 0.16 0.00 3.38 -1.95 -0.88 115.31 122.87 1n5x h LEU 467 Ca 0.76 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.87 1n5x h LEU 467 Cb 0.30 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1n5x h LEU 467 CO 1.64 -0.14 -0.46 0.11 0.09 0.00 0.00 178.44 179.68 1n5x h LYS 468 N 0.01 -0.70 -0.74 1.13 1.57 -2.01 0.57 116.57 116.40 1n5x h LYS 468 Ca 0.21 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1n5x h LYS 468 Cb 0.31 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1n5x h LYS 468 CO -0.43 -0.47 0.48 1.15 -0.57 0.00 0.00 179.45 179.62 1n5x h THR 469 N -0.72 1.10 0.00 -0.16 2.02 -1.82 -2.55 112.91 110.77 1n5x h THR 469 Ca 0.00 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1n5x h THR 469 Cb 0.73 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1n5x h THR 469 CO -0.24 0.16 -0.27 0.71 0.37 0.00 0.00 175.52 176.26 1n5x h THR 470 N 0.88 0.50 0.23 3.16 1.35 -0.60 -3.32 112.91 115.11 1n5x h THR 470 Ca 0.30 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1n5x h THR 470 Cb 0.08 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1n5x h THR 470 CO -0.09 0.26 -0.11 1.56 -0.25 0.00 0.00 175.52 176.89 1n5x h GLN 471 N 0.00 -0.30 0.00 4.72 1.08 -0.46 -2.82 115.11 117.33 1n5x h GLN 471 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1n5x h GLN 471 Cb 1.07 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1n5x h GLN 471 CO 0.03 -0.07 0.07 1.63 -0.95 0.00 0.00 178.83 179.55 1n5x n LYS 472 N -5.15 0.00 -0.00 1.46 5.02 -1.22 -1.25 118.16 117.02 1n5x n LYS 472 Ca -0.09 0.27 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 1n5x n LYS 472 Cb 0.20 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 1n5x n LYS 472 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1n5x n GLN 473 N -1.23 2.15 -1.74 1.97 1.13 -1.07 -4.84 117.38 113.74 1n5x n GLN 473 Ca 0.00 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.61 1n5x n GLN 473 Cb 0.07 -1.17 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 1n5x n GLN 473 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1n5x n LEU 474 N -1.46 4.26 0.00 1.08 4.77 -0.38 -1.06 117.00 124.21 1n5x n LEU 474 Ca 0.01 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1n5x n LEU 474 Cb 0.24 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1n5x n LEU 474 CO 0.27 0.12 0.00 -0.24 -1.33 0.00 0.00 177.39 176.21 1n5x n SER 475 N 2.31 0.00 -4.88 -1.43 2.88 0.14 -4.99 113.62 107.65 1n5x n SER 475 Ca 0.09 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.34 1n5x n SER 475 Cb 0.36 -0.02 0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1n5x n SER 475 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1n5x s LYS 476 N 0.00 2.15 0.13 -1.46 3.01 -0.22 -4.58 119.74 118.77 1n5x s LYS 476 Ca 0.00 0.25 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 1n5x s LYS 476 Cb 0.00 -1.96 -0.04 0.00 -1.01 0.00 0.00 37.83 34.82 1n5x s LYS 476 CO 0.00 -1.49 0.30 -0.06 0.51 0.00 0.00 175.35 174.61 1n5x s PHE 477 N -3.47 3.49 -0.79 3.18 0.40 -1.26 -1.06 117.98 118.47 1n5x s PHE 477 Ca 0.61 0.26 -0.26 0.00 -0.60 0.00 0.00 56.93 56.95 1n5x s PHE 477 Cb -0.11 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.63 1n5x s PHE 477 CO 0.50 0.50 1.68 -0.46 0.70 0.00 0.00 175.22 178.14 1n5x s TRP 478 N -1.69 1.99 0.21 0.36 -0.11 0.26 -4.52 118.94 115.45 1n5x s TRP 478 Ca 0.36 0.27 -0.16 0.00 1.22 0.00 0.00 56.10 57.79 1n5x s TRP 478 Cb -0.12 -4.31 0.02 0.00 -1.50 0.00 0.00 33.47 27.56 1n5x s TRP 478 CO 0.28 -2.05 0.51 0.54 -4.62 0.00 0.00 176.95 171.61 1n5x s ASN 479 N 6.53 -0.20 0.54 5.86 2.20 -1.26 -5.02 114.94 123.59 1n5x s ASN 479 Ca 0.57 -0.63 0.46 0.00 -0.94 0.00 0.00 52.86 52.32 1n5x s ASN 479 Cb -0.08 0.58 1.67 0.00 -2.00 0.00 0.00 41.25 41.43 1n5x s ASN 479 CO 0.09 -1.09 1.62 -0.08 -2.94 0.00 0.00 177.10 174.69 1n5x h GLU 480 N 2.22 0.01 0.04 3.55 4.57 -1.99 0.65 114.58 123.62 1n5x h GLU 480 Ca -0.27 -0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.68 1n5x h GLU 480 Cb 1.25 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.86 1n5x h GLU 480 CO 0.36 0.01 -0.92 -0.22 -1.18 0.00 0.00 179.01 177.06 1n5x h LYS 481 N 0.01 0.56 -0.33 1.92 3.11 -1.96 -2.36 116.57 117.53 1n5x h LYS 481 Ca 0.86 -0.65 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1n5x h LYS 481 Cb 3.38 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 34.79 1n5x h LYS 481 CO -0.06 1.26 0.21 1.25 -2.81 0.00 0.00 179.45 179.29 1n5x h LEU 482 N 0.14 0.39 -0.54 5.20 6.46 0.04 0.15 115.31 127.15 1n5x h LEU 482 Ca -0.12 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.70 1n5x h LEU 482 Cb 1.61 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 41.36 1n5x h LEU 482 CO 0.18 0.30 0.09 0.25 -0.62 0.00 0.00 178.44 178.64 1n5x h LEU 483 N 0.43 -0.04 -0.04 2.25 5.85 -1.32 0.46 115.31 122.89 1n5x h LEU 483 Ca 0.12 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1n5x h LEU 483 Cb -0.02 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1n5x h LEU 483 CO -0.02 -0.00 0.02 1.56 -0.34 0.00 0.00 178.44 179.66 1n5x h GLN 484 N 0.22 0.06 0.64 1.25 4.20 -0.73 -2.34 115.11 118.42 1n5x h GLN 484 Ca 0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1n5x h GLN 484 Cb 0.40 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1n5x h GLN 484 CO -0.38 0.13 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.15 1n5x h ASP 485 N -0.02 -0.78 -0.51 1.46 3.32 -0.11 -2.40 116.42 117.37 1n5x h ASP 485 Ca 0.02 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.19 1n5x h ASP 485 Cb 0.09 0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 1n5x h ASP 485 CO -0.00 -0.54 -0.34 0.58 -1.72 0.00 0.00 179.24 177.21 1n5x h VAL 486 N -0.89 0.18 -0.94 -1.35 2.07 -0.95 0.57 116.25 114.94 1n5x h VAL 486 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1n5x h VAL 486 Cb 0.69 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1n5x h VAL 486 CO 0.13 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.29 1n5x h ALA 488 N 1.53 0.61 0.83 0.00 0.00 -0.36 -0.84 119.26 121.03 1n5x h ALA 488 Ca 0.48 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1n5x h ALA 488 Cb 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n5x h ALA 488 CO -0.29 0.39 -0.49 0.78 0.00 0.00 0.00 179.25 179.65 1n5x h GLY 489 N 0.64 -1.36 0.09 0.00 0.00 0.29 -2.35 103.07 100.38 1n5x h GLY 489 Ca 0.13 0.55 0.12 0.00 0.00 0.00 0.00 47.33 48.13 1n5x h GLY 489 CO 0.02 -0.46 0.11 1.41 0.00 0.00 0.00 176.54 177.62 1n5x h LEU 490 N -1.23 -0.05 -2.32 3.11 3.38 0.49 0.34 115.31 119.04 1n5x h LEU 490 Ca -0.11 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1n5x h LEU 490 Cb 0.98 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1n5x h LEU 490 CO 0.12 -0.02 0.11 0.00 0.09 0.00 0.00 178.44 178.74 1n5x h ALA 491 N 1.52 1.70 0.02 1.53 0.00 -0.97 -0.13 119.26 122.93 1n5x h ALA 491 Ca 0.33 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.85 1n5x h ALA 491 Cb 0.52 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1n5x h ALA 491 CO -0.45 -0.16 -2.33 -1.91 0.00 0.00 0.00 179.25 174.41 1n5x n GLU 492 N -3.86 0.64 0.06 0.00 2.13 0.09 -4.19 120.64 115.50 1n5x n GLU 492 Ca -0.01 0.23 -0.04 0.00 0.66 0.00 0.00 57.16 58.01 1n5x n GLU 492 Cb 0.21 -1.56 0.17 0.00 0.27 0.00 0.00 31.44 30.53 1n5x n GLU 492 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1n5x h GLU 493 N -0.35 0.34 -0.73 5.31 4.81 -0.23 -3.26 114.58 120.47 1n5x h GLU 493 Ca -0.57 -0.18 -0.48 0.00 -0.13 0.00 0.00 59.36 58.00 1n5x h GLU 493 Cb 1.79 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.90 1n5x h GLU 493 CO -0.17 0.72 0.06 1.28 -0.73 0.00 0.00 179.01 180.17 1n5x n LEU 494 N -4.00 5.71 -4.70 1.64 4.77 -0.08 -5.04 117.00 115.30 1n5x n LEU 494 Ca -0.02 -4.22 -0.33 0.00 -0.03 0.00 0.00 56.01 51.41 1n5x n LEU 494 Cb 0.51 -0.67 0.12 0.00 -2.33 0.00 0.00 43.42 41.05 1n5x n LEU 494 CO 0.43 1.57 0.77 -0.94 -1.33 0.00 0.00 177.39 177.89 1n5x s SER 495 N -2.53 3.72 -0.06 -1.43 1.04 -1.23 -4.94 113.70 108.27 1n5x s SER 495 Ca 0.54 2.34 0.03 0.00 0.48 0.00 0.00 55.95 59.34 1n5x s SER 495 Cb 0.45 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.99 1n5x s SER 495 CO 0.02 -2.58 -0.14 -0.76 0.98 0.00 0.00 173.24 170.76 1n5x s LEU 496 N -5.62 1.74 0.39 2.42 1.43 -1.26 -5.09 118.68 112.70 1n5x s LEU 496 Ca 0.73 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 1n5x s LEU 496 Cb -0.28 -0.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 1n5x s LEU 496 CO 0.50 0.07 1.04 -0.94 0.23 0.00 0.00 176.35 177.25 1n5x s SER 497 N 0.45 6.80 0.40 2.29 1.04 -1.26 -4.90 113.70 118.52 1n5x s SER 497 Ca -0.11 2.02 0.24 0.00 0.48 0.00 0.00 55.95 58.58 1n5x s SER 497 Cb -0.14 -2.58 1.30 0.00 0.10 0.00 0.00 66.02 64.70 1n5x s SER 497 CO 0.03 -0.46 1.64 -0.65 0.98 0.00 0.00 173.24 174.78 1n5x h PRO 498 N 2.55 0.15 -0.96 4.02 0.11 -2.02 1.35 132.00 137.19 1n5x h PRO 498 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n5x h PRO 498 Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1n5x h PRO 498 CO 0.62 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 1n5x n ASP 499 N -4.86 1.56 -4.73 -2.05 5.75 -1.26 -4.90 116.55 106.06 1n5x n ASP 499 Ca 0.35 -2.10 -0.42 0.00 -0.01 0.00 0.00 54.79 52.60 1n5x n ASP 499 Cb 1.25 -0.52 -0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1n5x n ASP 499 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n5x n ALA 500 N 0.07 1.71 -1.77 2.12 0.00 0.46 -4.91 120.51 118.20 1n5x n ALA 500 Ca 0.03 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 1n5x n ALA 500 Cb 0.36 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 1n5x n ALA 500 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n5x s PRO 501 N -1.90 4.25 0.00 0.00 0.02 -1.26 -2.09 135.00 134.02 1n5x s PRO 501 Ca 0.55 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1n5x s PRO 501 Cb -0.53 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1n5x s PRO 501 CO 0.62 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 1n5x n GLY 502 N 0.78 2.44 7.00 0.52 0.00 -1.26 -4.93 105.19 109.75 1n5x n GLY 502 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1n5x n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5x n GLY 503 N -2.00 1.34 3.44 -0.02 0.00 -0.89 -4.86 105.19 102.21 1n5x n GLY 503 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1n5x n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n5x n MET 504 N 4.19 -4.73 -0.13 1.61 2.81 -1.26 -4.88 117.12 114.73 1n5x n MET 504 Ca 0.00 0.66 -0.13 0.00 -1.81 0.00 0.00 57.70 56.41 1n5x n MET 504 Cb 0.00 -5.49 -0.10 0.00 -0.71 0.00 0.00 33.22 26.93 1n5x n MET 504 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1n5x h ILE 505 N -1.53 0.00 -0.10 2.02 5.03 -1.93 -0.14 117.51 120.86 1n5x h ILE 505 Ca -0.51 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.27 1n5x h ILE 505 Cb 1.34 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.09 1n5x h ILE 505 CO 0.59 0.00 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.56 1n5x h GLU 506 N -0.40 -0.21 -0.40 2.37 3.07 -1.96 -1.73 114.58 115.32 1n5x h GLU 506 Ca 0.07 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1n5x h GLU 506 Cb 0.58 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1n5x h GLU 506 CO -0.56 -0.14 0.26 0.35 -1.40 0.00 0.00 179.01 177.52 1n5x h PHE 507 N -0.22 0.50 -0.38 4.33 3.57 -1.86 0.38 116.94 123.25 1n5x h PHE 507 Ca 0.09 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1n5x h PHE 507 Cb 0.34 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1n5x h PHE 507 CO -0.27 0.31 0.22 0.00 -2.23 0.00 0.00 178.31 176.34 1n5x h ARG 508 N 0.53 0.53 -0.45 1.11 3.08 -0.84 -0.73 114.38 117.61 1n5x h ARG 508 Ca 0.15 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1n5x h ARG 508 Cb -0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1n5x h ARG 508 CO -0.04 0.41 -0.01 0.00 -1.07 0.00 0.00 179.97 179.27 1n5x h ARG 509 N 0.50 0.80 -0.69 0.04 3.08 -1.13 -2.67 114.38 114.31 1n5x h ARG 509 Ca 0.14 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1n5x h ARG 509 Cb 0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1n5x h ARG 509 CO -0.02 0.87 0.45 1.15 -1.07 0.00 0.00 179.97 181.35 1n5x h THR 510 N 0.65 1.08 0.00 2.04 2.02 -0.67 -1.89 112.91 116.14 1n5x h THR 510 Ca 0.13 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1n5x h THR 510 Cb 0.51 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1n5x h THR 510 CO 0.03 0.15 -0.17 -0.07 0.37 0.00 0.00 175.52 175.82 1n5x h LEU 511 N 0.80 0.00 -0.21 2.58 3.38 -0.79 0.09 115.31 121.16 1n5x h LEU 511 Ca 0.28 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.03 1n5x h LEU 511 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1n5x h LEU 511 CO -0.08 0.17 -0.91 0.71 0.09 0.00 0.00 178.44 178.42 1n5x h THR 512 N 0.00 1.42 0.06 0.22 1.35 -1.22 -0.47 112.91 114.27 1n5x h THR 512 Ca -0.00 -2.46 -0.27 0.00 -0.55 0.00 0.00 66.41 63.12 1n5x h THR 512 Cb 0.39 2.41 0.02 0.00 -1.73 0.00 0.00 68.15 69.24 1n5x h THR 512 CO 0.02 0.73 -1.11 -0.07 -0.25 0.00 0.00 175.52 174.85 1n5x h LEU 513 N 0.21 0.87 -0.64 3.87 3.38 -1.36 -2.69 115.31 118.95 1n5x h LEU 513 Ca -0.07 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 57.05 1n5x h LEU 513 Cb 1.54 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1n5x h LEU 513 CO 0.15 1.55 0.13 0.28 0.09 0.00 0.00 178.44 180.65 1n5x h SER 514 N 0.29 1.00 -0.49 -0.43 0.02 -1.04 0.05 113.55 112.95 1n5x h SER 514 Ca -0.16 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1n5x h SER 514 Cb 1.78 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 1n5x h SER 514 CO 0.22 0.99 0.31 -0.26 -1.14 0.00 0.00 176.83 176.95 1n5x h PHE 515 N 0.96 0.64 -0.41 3.45 0.05 -1.12 -1.44 116.94 119.08 1n5x h PHE 515 Ca 0.20 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.92 1n5x h PHE 515 Cb 0.40 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.12 1n5x h PHE 515 CO 0.03 0.43 -0.06 0.35 -0.18 0.00 0.00 178.31 178.88 1n5x h PHE 516 N 0.66 0.74 -0.63 -0.55 3.57 -1.11 -1.35 116.94 118.28 1n5x h PHE 516 Ca 0.18 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1n5x h PHE 516 Cb -0.04 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1n5x h PHE 516 CO -0.03 0.73 0.40 0.35 -2.23 0.00 0.00 178.31 177.53 1n5x h PHE 517 N 0.64 0.76 -0.50 0.41 3.57 -0.41 0.76 116.94 122.18 1n5x h PHE 517 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1n5x h PHE 517 Cb 0.49 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1n5x h PHE 517 CO 0.02 0.45 0.18 0.87 -2.23 0.00 0.00 178.31 177.61 1n5x h LYS 518 N 0.81 0.76 -0.46 1.11 1.57 -0.88 0.16 116.57 119.62 1n5x h LYS 518 Ca 0.24 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1n5x h LYS 518 Cb -0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1n5x h LYS 518 CO -0.08 0.69 0.30 0.35 -0.57 0.00 0.00 179.45 180.13 1n5x h PHE 519 N 0.67 0.56 -0.06 -1.35 3.57 -0.30 0.64 116.94 120.66 1n5x h PHE 519 Ca 0.16 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1n5x h PHE 519 Cb 0.22 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1n5x h PHE 519 CO 0.01 0.34 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.45 1n5x h TYR 520 N 0.60 -0.14 -0.54 0.41 3.20 0.94 -0.89 116.97 120.55 1n5x h TYR 520 Ca 0.18 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 1n5x h TYR 520 Cb -0.04 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1n5x h TYR 520 CO -0.05 -0.09 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.29 1n5x h LEU 521 N -0.07 0.91 -0.45 2.82 3.38 -0.70 -2.55 115.31 118.64 1n5x h LEU 521 Ca 0.05 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1n5x h LEU 521 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1n5x h LEU 521 CO -0.11 0.98 0.10 0.74 0.09 0.00 0.00 178.44 180.24 1n5x h THR 522 N 0.86 1.24 -0.89 0.22 2.02 -0.65 -1.82 112.91 113.88 1n5x h THR 522 Ca 0.16 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1n5x h THR 522 Cb 0.53 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1n5x h THR 522 CO 0.03 0.30 0.51 0.58 0.37 0.00 0.00 175.52 177.30 1n5x h VAL 523 N 0.61 1.25 0.09 3.16 2.07 -1.06 0.19 116.25 122.55 1n5x h VAL 523 Ca 0.14 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1n5x h VAL 523 Cb 0.35 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1n5x h VAL 523 CO 0.00 0.28 -0.08 -0.07 0.02 0.00 0.00 177.57 177.72 1n5x h LEU 524 N 1.25 -0.21 -0.58 2.57 3.38 -1.17 1.18 115.31 121.72 1n5x h LEU 524 Ca 0.32 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.40 1n5x h LEU 524 Cb 0.00 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1n5x h LEU 524 CO -0.05 -0.13 0.20 0.50 0.09 0.00 0.00 178.44 179.05 1n5x h LYS 525 N -0.19 0.36 0.00 1.13 3.64 -0.74 0.16 116.57 120.94 1n5x h LYS 525 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1n5x h LYS 525 Cb 0.18 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1n5x h LYS 525 CO -0.02 0.24 -0.07 0.87 -2.27 0.00 0.00 179.45 178.20 1n5x h LYS 526 N 0.37 0.00 -0.01 1.90 1.57 0.35 -0.33 116.57 120.43 1n5x h LYS 526 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1n5x h LYS 526 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1n5x h LYS 526 CO -0.30 0.07 -0.03 1.28 -0.57 0.00 0.00 179.45 179.89 1n5x n LEU 527 N -3.19 0.80 -0.39 2.94 4.77 0.40 -3.62 117.00 118.71 1n5x n LEU 527 Ca 0.01 -0.23 0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1n5x n LEU 527 Cb 0.35 -0.04 0.42 0.00 -2.33 0.00 0.00 43.42 41.82 1n5x n LEU 527 CO 0.29 0.14 0.79 0.61 -1.33 0.00 0.00 177.39 177.89 1n5x n GLY 528 N 1.15 -0.09 7.00 -0.72 0.00 -0.13 -4.80 105.19 107.59 1n5x n GLY 528 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1n5x n GLY 528 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n5x n LYS 529 N 0.00 0.00 0.00 1.61 4.01 -1.24 -4.62 118.16 117.93 1n5x n LYS 529 Ca 0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 1n5x n LYS 529 Cb 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.77 1n5x n LYS 529 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1n5x n ASP 530 N 9.53 0.00 0.00 4.39 8.00 -1.26 -4.99 116.55 132.22 1n5x n ASP 530 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1n5x n ASP 530 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1n5x n ASP 530 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1n5x n SER 531 N 0.87 0.00 0.00 -2.24 2.88 -1.26 -5.32 113.62 108.55 1n5x n SER 531 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n5x n SER 531 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n5x n SER 531 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1n5x n LYS 537 N -2.00 0.00 -3.63 -1.46 3.00 -1.26 -5.29 118.16 107.52 1n5x n LYS 537 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1n5x n LYS 537 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1n5x n LYS 537 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1n5x s LEU 538 N 0.00 -0.01 0.68 3.14 2.96 -1.26 -3.96 118.68 120.23 1n5x s LEU 538 Ca 0.00 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 1n5x s LEU 538 Cb 0.00 1.02 -0.03 0.00 0.50 0.00 0.00 46.19 47.68 1n5x s LEU 538 CO 0.00 -0.01 0.82 -0.67 -1.32 0.00 0.00 176.35 175.17 1n5x n ASP 539 N -0.11 0.02 -0.33 3.68 -0.08 -1.26 -4.91 116.55 113.56 1n5x n ASP 539 Ca 0.02 0.69 -0.03 0.00 -1.51 0.00 0.00 54.79 53.97 1n5x n ASP 539 Cb 0.58 -1.34 0.09 0.00 2.34 0.00 0.00 41.12 42.80 1n5x n ASP 539 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1n5x h PRO 540 N -0.04 1.18 -0.89 -0.67 0.11 -2.01 -2.85 132.00 126.83 1n5x h PRO 540 Ca -0.47 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 1n5x h PRO 540 Cb 1.35 -0.27 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1n5x h PRO 540 CO 0.47 0.78 0.14 0.25 -0.21 0.00 0.00 178.00 179.43 1n5x n THR 541 N -4.46 1.65 -0.02 -1.15 -2.24 -1.26 -4.39 114.28 102.40 1n5x n THR 541 Ca 0.10 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 61.07 1n5x n THR 541 Cb 0.02 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1n5x n THR 541 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1n5x n TYR 542 N 0.04 0.00 -0.69 4.78 4.02 -1.07 -2.79 117.16 121.45 1n5x n TYR 542 Ca 0.20 0.00 0.52 0.00 -0.01 0.00 0.00 57.90 58.61 1n5x n TYR 542 Cb 0.86 -0.17 0.82 0.00 -0.02 0.00 0.00 39.34 40.83 1n5x n TYR 542 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1n5x h THR 543 N -0.03 0.02 -0.10 -0.72 2.02 -1.77 0.78 112.91 113.11 1n5x h THR 543 Ca -0.10 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1n5x h THR 543 Cb 1.15 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1n5x h THR 543 CO -0.03 0.00 0.09 -1.28 0.37 0.00 0.00 175.52 174.68 1n5x h SER 544 N 0.00 0.00 -0.31 4.18 0.87 -1.89 0.20 113.55 116.60 1n5x h SER 544 Ca 0.93 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.49 1n5x h SER 544 Cb 3.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 65.65 1n5x h SER 544 CO -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.26 1n5x n ALA 545 N -2.42 2.59 -1.86 6.23 0.00 0.27 -3.47 120.51 121.86 1n5x n ALA 545 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 53.44 52.86 1n5x n ALA 545 Cb 0.20 -0.99 0.15 0.00 0.00 0.00 0.00 19.45 18.82 1n5x n ALA 545 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n5x n THR 546 N 0.41 1.64 -4.77 0.00 -2.24 0.70 -4.70 114.28 105.32 1n5x n THR 546 Ca 0.11 -2.69 -0.26 0.00 -2.27 0.00 0.00 64.05 58.94 1n5x n THR 546 Cb 0.36 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 1n5x n THR 546 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n5x s LEU 547 N -2.42 1.82 0.63 3.22 1.43 -1.23 -4.96 118.68 117.18 1n5x s LEU 547 Ca 0.37 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1n5x s LEU 547 Cb 0.38 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1n5x s LEU 547 CO -0.09 0.10 1.05 -0.76 0.23 0.00 0.00 176.35 176.88 1n5x s LEU 548 N 0.34 3.34 0.42 1.79 1.43 -1.26 -4.98 118.68 119.75 1n5x s LEU 548 Ca -0.10 1.67 -0.23 0.00 -1.03 0.00 0.00 54.13 54.44 1n5x s LEU 548 Cb -0.14 -4.51 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 1n5x s LEU 548 CO 0.04 -1.19 0.64 0.33 0.23 0.00 0.00 176.35 176.40 1n5x n PHE 549 N -2.50 -0.15 -3.80 0.29 7.35 -1.26 -5.00 117.46 112.39 1n5x n PHE 549 Ca 0.08 0.60 -0.16 0.00 -0.76 0.00 0.00 57.45 57.21 1n5x n PHE 549 Cb 0.53 -2.04 -0.16 0.00 0.35 0.00 0.00 39.48 38.16 1n5x n PHE 549 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1n5x s GLN 550 N -1.66 0.05 -0.35 -4.13 -1.52 -1.26 -5.12 119.66 105.66 1n5x s GLN 550 Ca 0.63 0.18 -0.18 0.00 -1.95 0.00 0.00 55.36 54.05 1n5x s GLN 550 Cb -0.60 -0.35 -0.00 0.00 -0.22 0.00 0.00 33.01 31.83 1n5x s GLN 550 CO 0.58 -0.18 0.50 0.15 -0.25 0.00 0.00 175.29 176.08 1n5x s LYS 551 N 1.22 3.60 0.48 2.91 1.02 -1.26 -5.07 119.74 122.64 1n5x s LYS 551 Ca -0.07 -0.20 -0.16 0.00 0.02 0.00 0.00 55.97 55.55 1n5x s LYS 551 Cb -0.13 -3.81 -0.08 0.00 -0.52 0.00 0.00 37.83 33.29 1n5x s LYS 551 CO -0.03 -0.64 0.94 -1.58 -0.92 0.00 0.00 175.35 173.13 1n5x s HIS 552 N 2.35 3.43 0.11 3.18 2.46 -1.26 -5.01 115.29 120.55 1n5x s HIS 552 Ca 0.18 1.42 -0.31 0.00 0.47 0.00 0.00 55.06 56.82 1n5x s HIS 552 Cb -0.16 -2.74 -0.08 0.00 -0.13 0.00 0.00 32.58 29.47 1n5x s HIS 552 CO 0.13 -0.28 1.51 -1.25 -2.47 0.00 0.00 174.74 172.38 1n5x s PRO 553 N -3.89 4.25 0.56 2.88 0.04 -1.26 -5.00 135.00 132.58 1n5x s PRO 553 Ca 0.58 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 63.64 1n5x s PRO 553 Cb -0.10 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1n5x s PRO 553 CO 0.28 -0.58 1.26 -1.25 0.04 0.00 0.00 177.00 176.75 1n5x s PRO 554 N 1.65 3.12 -0.24 0.56 0.04 -1.26 -4.92 135.00 133.95 1n5x s PRO 554 Ca 0.69 1.98 -0.02 0.00 0.04 0.00 0.00 61.00 63.68 1n5x s PRO 554 Cb -0.39 -2.11 0.12 0.00 0.04 0.00 0.00 34.50 32.15 1n5x s PRO 554 CO 0.31 -1.12 0.27 0.00 0.04 0.00 0.00 177.00 176.50 1n5x s ALA 555 N -1.47 -0.47 -0.03 8.56 0.00 -1.02 -5.00 121.76 122.33 1n5x s ALA 555 Ca 0.74 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.89 1n5x s ALA 555 Cb -0.34 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1n5x s ALA 555 CO 0.39 -1.42 -0.25 -0.80 0.00 0.00 0.00 175.76 173.68 1n5x s ASN 556 N 2.37 2.93 -0.03 0.00 0.01 -1.26 -2.97 114.94 115.99 1n5x s ASN 556 Ca 0.09 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.81 1n5x s ASN 556 Cb -0.15 -0.48 -0.00 0.00 0.41 0.00 0.00 41.25 41.03 1n5x s ASN 556 CO -0.21 0.28 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.91 1n5x s ILE 557 N -0.45 1.08 -0.09 0.60 1.09 -1.16 -4.99 121.20 117.28 1n5x s ILE 557 Ca 0.05 -0.53 0.03 0.00 -1.10 0.00 0.00 60.65 59.11 1n5x s ILE 557 Cb -0.11 -0.94 0.01 0.00 -1.06 0.00 0.00 42.46 40.36 1n5x s ILE 557 CO 0.00 0.32 -0.18 -1.10 -0.10 0.00 0.00 174.94 173.88 1n5x s GLN 558 N 0.10 2.43 -0.03 2.79 1.11 -1.26 -1.69 119.66 123.10 1n5x s GLN 558 Ca -0.03 -0.66 -0.00 0.00 0.01 0.00 0.00 55.36 54.68 1n5x s GLN 558 Cb -0.10 -1.90 0.03 0.00 -1.01 0.00 0.00 33.01 30.04 1n5x s GLN 558 CO 0.01 0.10 0.02 -0.48 0.01 0.00 0.00 175.29 174.95 1n5x s LEU 559 N 0.51 0.94 0.00 2.90 2.34 -0.78 -4.91 118.68 119.69 1n5x s LEU 559 Ca -0.16 0.01 0.06 0.00 0.06 0.00 0.00 54.13 54.09 1n5x s LEU 559 Cb -0.17 -0.18 -0.02 0.00 -0.56 0.00 0.00 46.19 45.26 1n5x s LEU 559 CO 0.06 -0.14 0.21 2.22 -1.06 0.00 0.00 176.35 177.64 1n5x n PHE 560 N 4.41 -0.35 -3.73 3.48 1.16 -1.26 -1.57 117.46 119.59 1n5x n PHE 560 Ca -0.22 -2.55 -0.36 0.00 -1.87 0.00 0.00 57.45 52.45 1n5x n PHE 560 Cb 0.50 0.15 -0.06 0.00 -1.61 0.00 0.00 39.48 38.46 1n5x n PHE 560 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1n5x s GLN 561 N -3.36 3.62 0.72 3.97 0.74 -1.26 -4.61 119.66 119.48 1n5x s GLN 561 Ca 0.29 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.61 1n5x s GLN 561 Cb 0.01 -3.13 0.03 0.00 1.10 0.00 0.00 33.01 31.02 1n5x s GLN 561 CO 0.21 0.69 1.08 -2.00 -0.55 0.00 0.00 175.29 174.71 1n5x s GLU 562 N -1.45 2.66 0.46 1.67 2.56 -1.26 -5.00 118.70 118.34 1n5x s GLU 562 Ca 0.24 1.07 -0.07 0.00 0.00 0.00 0.00 54.97 56.21 1n5x s GLU 562 Cb -0.14 -1.95 -0.05 0.00 2.00 0.00 0.00 34.13 34.00 1n5x s GLU 562 CO 0.13 -1.33 0.78 0.14 -0.56 0.00 0.00 175.26 174.42 1n5x s VAL 563 N -2.93 4.87 -0.19 3.70 -7.23 -1.26 -4.96 120.40 112.40 1n5x s VAL 563 Ca 0.60 0.34 -0.41 0.00 -1.81 0.00 0.00 61.98 60.70 1n5x s VAL 563 Cb -0.16 -3.82 -0.18 0.00 0.56 0.00 0.00 36.38 32.78 1n5x s VAL 563 CO 0.54 -0.74 1.47 -2.65 -0.31 0.00 0.00 175.10 173.41 1n5x n PRO 564 N -1.94 0.64 -0.37 4.82 -0.02 -1.26 -4.78 135.00 132.09 1n5x n PRO 564 Ca 0.01 0.23 0.33 0.00 -2.02 0.00 0.00 63.50 62.06 1n5x n PRO 564 Cb 0.55 -1.82 0.58 0.00 -0.02 0.00 0.00 33.50 32.78 1n5x n PRO 564 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1n5x n ASN 565 N 3.56 0.24 -3.47 2.55 5.15 -1.26 -1.80 115.26 120.23 1n5x n ASN 565 Ca 0.24 1.36 -0.33 0.00 -0.60 0.00 0.00 54.58 55.26 1n5x n ASN 565 Cb 0.09 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.64 1n5x n ASN 565 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n5x n GLY 566 N -1.37 5.30 3.38 8.20 0.00 -1.26 -5.01 105.19 114.43 1n5x n GLY 566 Ca 0.36 -2.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.33 1n5x n GLY 566 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n5x s GLN 567 N -3.08 2.38 0.26 1.61 0.74 -0.75 -5.08 119.66 115.74 1n5x s GLN 567 Ca 0.40 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.69 1n5x s GLN 567 Cb 0.16 -2.23 -0.13 0.00 1.10 0.00 0.00 33.01 31.91 1n5x s GLN 567 CO -0.03 0.56 1.32 0.45 -0.55 0.00 0.00 175.29 177.04 1n5x n SER 568 N 2.48 2.46 0.21 6.67 2.88 -1.26 -4.80 113.62 122.26 1n5x n SER 568 Ca -0.17 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.67 1n5x n SER 568 Cb 0.52 -1.40 0.72 0.00 -0.75 0.00 0.00 64.21 63.30 1n5x n SER 568 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1n5x h LYS 569 N 3.61 0.00 0.00 -1.46 3.64 -2.00 0.56 116.57 120.92 1n5x h LYS 569 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1n5x h LYS 569 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1n5x h LYS 569 CO 0.71 0.00 -0.56 0.39 -2.27 0.00 0.00 179.45 177.73 1n5x n GLU 570 N -2.51 0.07 -2.97 1.90 1.02 -1.26 -4.58 120.64 112.31 1n5x n GLU 570 Ca -0.01 0.01 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 1n5x n GLU 570 Cb 0.10 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 1n5x n GLU 570 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1n5x s ASP 571 N -3.26 6.66 0.55 1.62 2.15 0.19 -4.67 116.67 119.90 1n5x s ASP 571 Ca 0.10 -2.14 0.33 0.00 0.43 0.00 0.00 52.55 51.27 1n5x s ASP 571 Cb 0.17 -2.38 1.47 0.00 -0.30 0.00 0.00 42.92 41.88 1n5x s ASP 571 CO 0.71 -1.00 2.03 0.71 -0.17 0.00 0.00 175.17 177.45 1n5x h THR 572 N 5.69 0.18 -1.88 1.71 1.35 -1.82 -3.45 112.91 114.70 1n5x h THR 572 Ca 0.16 -0.54 -0.62 0.00 -0.55 0.00 0.00 66.41 64.86 1n5x h THR 572 Cb 1.02 1.45 0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1n5x h THR 572 CO 1.07 0.06 1.21 0.52 -0.25 0.00 0.00 175.52 178.13 1n5x n VAL 573 N -3.23 0.49 0.00 6.82 0.31 -1.26 -0.53 118.33 120.94 1n5x n VAL 573 Ca -0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1n5x n VAL 573 Cb 0.28 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1n5x n VAL 573 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n5x n GLY 574 N 4.94 2.25 3.92 2.92 0.00 0.32 -4.99 105.19 114.55 1n5x n GLY 574 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1n5x n GLY 574 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5x s ARG 575 N -0.59 3.55 -1.53 1.61 0.52 0.32 -4.51 118.95 118.32 1n5x s ARG 575 Ca 0.00 -0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.88 1n5x s ARG 575 Cb 0.00 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 1n5x s ARG 575 CO 0.00 0.28 2.66 -0.35 0.02 0.00 0.00 175.30 177.91 1n5x n PRO 576 N -1.00 3.58 -2.32 3.54 -0.04 -1.26 -4.16 135.00 133.35 1n5x n PRO 576 Ca -0.04 -2.52 -0.43 0.00 -0.04 0.00 0.00 63.50 60.48 1n5x n PRO 576 Cb 0.54 -2.91 -0.02 0.00 -0.04 0.00 0.00 33.50 31.07 1n5x n PRO 576 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1n5x s LEU 577 N 0.42 4.13 0.77 1.53 2.96 -1.26 -4.78 118.68 122.45 1n5x s LEU 577 Ca 0.61 1.70 -0.14 0.00 -0.22 0.00 0.00 54.13 56.08 1n5x s LEU 577 Cb 0.17 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.38 1n5x s LEU 577 CO -0.07 -0.89 1.19 -2.16 -1.32 0.00 0.00 176.35 173.10 1n5x s PRO 578 N 3.83 1.88 -0.26 0.98 0.04 -1.26 -4.75 135.00 135.46 1n5x s PRO 578 Ca 0.60 1.71 -0.37 0.00 0.04 0.00 0.00 61.00 62.98 1n5x s PRO 578 Cb -0.23 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1n5x s PRO 578 CO 0.20 -2.02 1.96 1.58 0.04 0.00 0.00 177.00 178.76 1n5x n HIS 579 N -3.08 1.96 0.15 0.56 -0.00 -1.26 -4.79 115.22 108.75 1n5x n HIS 579 Ca 0.13 0.28 0.03 0.00 0.46 0.00 0.00 57.72 58.62 1n5x n HIS 579 Cb 0.51 -2.55 0.16 0.00 -0.12 0.00 0.00 29.99 27.99 1n5x n HIS 579 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1n5x n LEU 580 N 7.50 0.15 -0.24 0.27 4.77 -1.26 -0.11 117.00 128.09 1n5x n LEU 580 Ca 0.31 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.70 1n5x n LEU 580 Cb 0.21 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1n5x n LEU 580 CO 0.77 -0.43 0.31 0.00 -1.33 0.00 0.00 177.39 176.71 1n5x n ALA 581 N -1.38 2.52 -0.24 -1.18 0.00 -1.26 -4.73 120.51 114.24 1n5x n ALA 581 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 1n5x n ALA 581 Cb 0.52 -0.22 0.07 0.00 0.00 0.00 0.00 19.45 19.81 1n5x n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5x h ALA 582 N 1.26 0.38 -0.57 0.00 0.00 -0.85 -0.10 119.26 119.38 1n5x h ALA 582 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1n5x h ALA 582 Cb 0.26 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1n5x h ALA 582 CO 0.00 -0.46 0.34 0.00 0.00 0.00 0.00 179.25 179.13 1n5x h ALA 583 N 1.59 0.74 0.00 0.00 0.00 -1.85 0.16 119.26 119.91 1n5x h ALA 583 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1n5x h ALA 583 Cb 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n5x h ALA 583 CO -0.74 0.06 -0.04 0.52 0.00 0.00 0.00 179.25 179.06 1n5x h MET 584 N 0.68 0.00 0.09 0.00 2.86 -1.57 -2.37 114.93 114.61 1n5x h MET 584 Ca 0.23 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.59 1n5x h MET 584 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1n5x h MET 584 CO -0.11 0.04 -1.39 1.96 1.06 0.00 0.00 176.91 178.47 1n5x h GLN 585 N 0.00 0.19 0.00 1.72 4.20 -0.48 0.23 115.11 120.97 1n5x h GLN 585 Ca -0.00 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1n5x h GLN 585 Cb 0.73 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1n5x h GLN 585 CO 0.00 1.06 0.00 0.00 -0.67 0.00 0.00 178.83 179.23 1n5x n ALA 586 N -2.57 2.53 -0.20 3.87 0.00 0.51 -3.15 120.51 121.50 1n5x n ALA 586 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1n5x n ALA 586 Cb 1.02 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1n5x n ALA 586 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n5x n SER 587 N -0.87 0.43 0.00 0.00 3.41 -0.92 -4.69 113.62 110.99 1n5x n SER 587 Ca 0.16 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1n5x n SER 587 Cb 0.07 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1n5x n SER 587 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n5x n GLY 588 N 0.25 0.69 0.14 5.00 0.00 -0.98 -4.03 105.19 106.27 1n5x n GLY 588 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1n5x n GLY 588 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n5x h GLU 589 N 1.86 0.00 -6.79 1.61 5.08 -1.42 -3.35 114.58 111.57 1n5x h GLU 589 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1n5x h GLU 589 Cb 0.00 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.32 1n5x h GLU 589 CO 0.00 0.04 0.81 0.00 -1.00 0.00 0.00 179.01 178.85 1n5x s ALA 590 N -3.28 3.66 -0.18 3.43 0.00 0.65 -4.97 121.76 121.07 1n5x s ALA 590 Ca 0.01 1.44 -0.08 0.00 0.00 0.00 0.00 51.96 53.34 1n5x s ALA 590 Cb 0.08 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1n5x s ALA 590 CO 0.76 -0.86 0.07 0.08 0.00 0.00 0.00 175.76 175.81 1n5x s VAL 591 N -0.14 4.84 0.28 0.00 1.01 -1.26 -4.96 120.40 120.17 1n5x s VAL 591 Ca 0.60 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.66 1n5x s VAL 591 Cb -0.44 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1n5x s VAL 591 CO 0.47 0.46 -0.01 -0.31 0.00 0.00 0.00 175.10 175.71 1n5x s TYR 592 N 0.37 2.65 0.14 5.22 1.51 -1.26 -4.63 117.35 121.35 1n5x s TYR 592 Ca 0.03 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.68 1n5x s TYR 592 Cb -0.12 -1.24 0.09 0.00 -0.11 0.00 0.00 41.96 40.58 1n5x s TYR 592 CO -0.00 0.59 1.05 0.00 -1.11 0.00 0.00 175.55 176.08 1n5x h ASP 594 N 0.00 0.00 0.78 0.00 3.58 -1.95 -2.72 116.42 116.11 1n5x h ASP 594 Ca 0.19 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 1n5x h ASP 594 Cb 0.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1n5x h ASP 594 CO -0.66 0.00 -0.19 0.44 -2.88 0.00 0.00 179.24 175.95 1n5x h ASP 595 N 0.00 0.00 -2.55 2.28 3.45 0.42 -3.43 116.42 116.59 1n5x h ASP 595 Ca 0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 1n5x h ASP 595 Cb 0.65 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 39.48 1n5x h ASP 595 CO 0.00 0.19 0.97 -0.38 -1.57 0.00 0.00 179.24 178.45 1n5x n ILE 596 N -3.43 0.03 -0.80 0.35 5.41 -0.99 -4.89 119.36 115.03 1n5x n ILE 596 Ca -0.00 -0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.41 1n5x n ILE 596 Cb 0.38 -1.89 0.12 0.00 -0.71 0.00 0.00 39.64 37.54 1n5x n ILE 596 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1n5x n PRO 597 N 3.97 -0.28 -4.16 0.38 -0.02 -1.26 -4.98 135.00 128.64 1n5x n PRO 597 Ca 0.16 -0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 1n5x n PRO 597 Cb 0.34 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 1n5x n PRO 597 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n5x s ARG 598 N -3.69 2.99 0.51 -0.52 3.52 -1.26 -5.10 118.95 115.41 1n5x s ARG 598 Ca 0.58 -0.51 -0.20 0.00 -0.13 0.00 0.00 55.73 55.48 1n5x s ARG 598 Cb -0.22 -2.81 -0.07 0.00 -1.56 0.00 0.00 34.95 30.29 1n5x s ARG 598 CO 0.66 0.65 1.07 0.71 -0.81 0.00 0.00 175.30 177.58 1n5x s TYR 599 N -1.14 2.89 0.54 5.12 1.51 -1.26 -4.92 117.35 120.09 1n5x s TYR 599 Ca 0.21 1.56 0.27 0.00 -1.01 0.00 0.00 57.07 58.11 1n5x s TYR 599 Cb -0.12 -3.14 1.44 0.00 -0.11 0.00 0.00 41.96 40.03 1n5x s TYR 599 CO 0.12 -1.09 1.96 1.05 -1.11 0.00 0.00 175.55 176.48 1n5x h GLU 600 N 1.38 0.00 -0.21 -0.62 4.11 -2.01 -0.71 114.58 116.52 1n5x h GLU 600 Ca -0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 1n5x h GLU 600 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1n5x h GLU 600 CO 0.58 0.00 -0.03 0.27 0.07 0.00 0.00 179.01 179.90 1n5x n ASN 601 N -4.26 3.19 -4.70 3.06 6.94 -1.26 -5.02 115.26 113.21 1n5x n ASN 601 Ca 0.11 -3.21 -0.42 0.00 -0.02 0.00 0.00 54.58 51.04 1n5x n ASN 601 Cb 0.69 -0.54 -0.03 0.00 -2.36 0.00 0.00 39.78 37.55 1n5x n ASN 601 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1n5x s GLU 602 N -2.94 4.41 0.28 -3.83 2.12 -0.28 -4.37 118.70 114.09 1n5x s GLU 602 Ca 0.40 1.71 0.06 0.00 0.36 0.00 0.00 54.97 57.50 1n5x s GLU 602 Cb 0.34 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1n5x s GLU 602 CO 0.05 -0.31 0.40 -0.51 -0.54 0.00 0.00 175.26 174.36 1n5x s LEU 603 N 1.48 4.17 -0.01 2.70 1.43 -0.21 -4.93 118.68 123.31 1n5x s LEU 603 Ca 0.57 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1n5x s LEU 603 Cb -0.27 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1n5x s LEU 603 CO 0.27 -0.22 -0.13 -0.36 0.23 0.00 0.00 176.35 176.14 1n5x s PHE 604 N -2.06 2.72 -0.07 0.29 0.40 -0.39 -2.07 117.98 116.79 1n5x s PHE 604 Ca 0.39 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.62 1n5x s PHE 604 Cb -0.09 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1n5x s PHE 604 CO 0.30 0.27 -0.25 -1.17 0.70 0.00 0.00 175.22 175.07 1n5x s LEU 605 N -1.16 2.08 -0.14 -0.37 0.20 -0.95 -0.99 118.68 117.35 1n5x s LEU 605 Ca 0.14 -0.52 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1n5x s LEU 605 Cb -0.11 -1.38 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 1n5x s LEU 605 CO 0.04 0.22 -0.13 -0.60 -0.29 0.00 0.00 176.35 175.60 1n5x s ARG 606 N -0.04 2.13 0.31 1.98 6.06 -0.37 -4.65 118.95 124.37 1n5x s ARG 606 Ca -0.07 -0.49 -0.29 0.00 -2.50 0.00 0.00 55.73 52.38 1n5x s ARG 606 Cb -0.15 -1.99 -0.10 0.00 0.06 0.00 0.00 34.95 32.77 1n5x s ARG 606 CO 0.05 -0.24 1.28 -0.51 -2.50 0.00 0.00 175.30 173.38 1n5x s LEU 607 N 1.53 4.44 -0.37 -0.88 1.43 -1.26 -1.22 118.68 122.36 1n5x s LEU 607 Ca 0.05 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.65 1n5x s LEU 607 Cb -0.13 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1n5x s LEU 607 CO -0.10 -0.48 0.20 -0.69 0.23 0.00 0.00 176.35 175.51 1n5x s VAL 608 N -1.03 4.55 0.32 -1.59 1.01 0.35 -4.90 120.40 119.11 1n5x s VAL 608 Ca 0.49 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1n5x s VAL 608 Cb -0.38 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1n5x s VAL 608 CO 0.50 -0.20 0.20 0.42 0.00 0.00 0.00 175.10 176.02 1n5x s THR 609 N 1.56 3.51 0.24 3.92 -4.23 -1.26 -1.11 115.64 118.27 1n5x s THR 609 Ca 0.02 -1.53 -0.30 0.00 -1.18 0.00 0.00 61.69 58.71 1n5x s THR 609 Cb -0.19 -3.12 -0.09 0.00 1.34 0.00 0.00 72.50 70.43 1n5x s THR 609 CO 0.06 -0.22 1.29 -0.55 -0.54 0.00 0.00 174.62 174.67 1n5x s SER 610 N -3.89 6.89 0.00 3.99 0.15 0.95 -4.82 113.70 116.97 1n5x s SER 610 Ca 0.38 2.47 0.18 0.00 0.70 0.00 0.00 55.95 59.67 1n5x s SER 610 Cb -0.05 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.69 1n5x s SER 610 CO 0.24 -0.50 0.97 0.35 1.20 0.00 0.00 173.24 175.51 1n5x n THR 611 N 2.05 0.00 -4.56 6.45 -2.24 -1.26 0.43 114.28 115.15 1n5x n THR 611 Ca 0.04 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 1n5x n THR 611 Cb 0.43 1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 69.82 1n5x n THR 611 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n5x s ARG 612 N -1.80 2.60 0.49 -0.78 1.81 -1.26 -4.89 118.95 115.12 1n5x s ARG 612 Ca 0.17 -0.67 0.27 0.00 -1.72 0.00 0.00 55.73 53.79 1n5x s ARG 612 Cb 0.14 -2.51 1.25 0.00 -0.45 0.00 0.00 34.95 33.38 1n5x s ARG 612 CO 0.35 0.62 1.97 0.00 -0.68 0.00 0.00 175.30 177.56 1n5x h ALA 613 N 4.83 1.13 -0.90 2.13 0.00 -1.82 -3.22 119.26 121.41 1n5x h ALA 613 Ca -0.48 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.48 1n5x h ALA 613 Cb 1.17 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 1n5x h ALA 613 CO 0.53 0.19 0.46 -1.58 0.00 0.00 0.00 179.25 178.85 1n5x s HIS 614 N -3.90 -0.36 -0.02 0.00 5.65 -1.26 -1.21 115.29 114.18 1n5x s HIS 614 Ca -0.01 0.66 -0.29 0.00 0.25 0.00 0.00 55.06 55.67 1n5x s HIS 614 Cb 0.11 0.22 0.11 0.00 -1.18 0.00 0.00 32.58 31.84 1n5x s HIS 614 CO 0.60 -0.18 1.30 0.00 -0.65 0.00 0.00 174.74 175.80 1n5x s ALA 615 N 1.79 -2.42 0.05 1.58 0.00 -0.97 -1.60 121.76 120.20 1n5x s ALA 615 Ca -0.04 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 1n5x s ALA 615 Cb -0.03 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1n5x s ALA 615 CO -0.15 -1.12 0.31 0.15 0.00 0.00 0.00 175.76 174.95 1n5x s LYS 616 N -2.12 3.61 -0.39 0.00 1.02 -0.05 -1.09 119.74 120.72 1n5x s LYS 616 Ca 0.25 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 56.00 1n5x s LYS 616 Cb 0.01 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 1n5x s LYS 616 CO -0.02 0.59 0.51 0.42 -0.92 0.00 0.00 175.35 175.94 1n5x s ILE 617 N -1.40 5.00 -0.29 2.17 1.01 0.17 -1.56 121.20 126.29 1n5x s ILE 617 Ca 0.32 0.05 0.22 0.00 0.00 0.00 0.00 60.65 61.24 1n5x s ILE 617 Cb -0.13 -4.04 -0.26 0.00 0.01 0.00 0.00 42.46 38.04 1n5x s ILE 617 CO 0.19 -0.37 0.67 0.29 0.00 0.00 0.00 174.94 175.72 1n5x n LYS 618 N 5.81 0.49 -3.62 2.79 5.02 0.52 -4.79 118.16 124.37 1n5x n LYS 618 Ca -0.05 -0.11 -0.06 0.00 -2.02 0.00 0.00 58.31 56.07 1n5x n LYS 618 Cb 0.48 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1n5x n LYS 618 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1n5x s SER 619 N -4.25 -0.22 -0.11 4.39 0.15 -1.16 -4.97 113.70 107.53 1n5x s SER 619 Ca -0.03 0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1n5x s SER 619 Cb 0.14 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 1n5x s SER 619 CO 0.88 -0.15 -0.12 -0.63 1.20 0.00 0.00 173.24 174.43 1n5x s ILE 620 N -0.59 1.28 -0.13 6.45 1.01 -1.26 -1.01 121.20 126.95 1n5x s ILE 620 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1n5x s ILE 620 Cb -0.02 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1n5x s ILE 620 CO -0.06 0.40 -0.15 -0.62 0.00 0.00 0.00 174.94 174.51 1n5x s ASP 621 N 1.28 3.84 -0.01 3.58 3.68 0.82 -4.98 116.67 124.88 1n5x s ASP 621 Ca -0.02 -0.38 0.02 0.00 2.13 0.00 0.00 52.55 54.30 1n5x s ASP 621 Cb -0.14 -1.58 0.03 0.00 -1.45 0.00 0.00 42.92 39.78 1n5x s ASP 621 CO -0.05 0.15 1.02 1.33 0.13 0.00 0.00 175.17 177.75 1n5x n VAL 622 N 3.64 1.10 -0.30 1.11 0.24 -1.26 -0.43 118.33 122.43 1n5x n VAL 622 Ca -0.18 -1.14 0.08 0.00 -2.04 0.00 0.00 64.34 61.06 1n5x n VAL 622 Cb 0.53 0.42 0.23 0.00 -1.47 0.00 0.00 33.84 33.55 1n5x n VAL 622 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1n5x h SER 623 N 0.00 0.52 -0.15 -1.34 0.02 -1.94 -0.51 113.55 110.14 1n5x h SER 623 Ca 0.00 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1n5x h SER 623 Cb 0.55 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1n5x h SER 623 CO 0.00 0.20 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.37 1n5x h GLU 624 N 0.61 0.40 0.21 3.45 4.39 -1.85 -3.25 114.58 118.54 1n5x h GLU 624 Ca 0.47 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.95 1n5x h GLU 624 Cb 0.69 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1n5x h GLU 624 CO -0.38 0.81 -0.30 0.00 -1.16 0.00 0.00 179.01 177.98 1n5x h ALA 625 N 0.59 -0.58 -0.34 3.43 0.00 -1.52 -2.04 119.26 118.80 1n5x h ALA 625 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1n5x h ALA 625 Cb 0.75 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1n5x h ALA 625 CO 0.05 -0.87 0.63 1.96 0.00 0.00 0.00 179.25 181.02 1n5x h GLN 626 N -0.58 0.00 0.00 0.00 4.20 -1.20 0.41 115.11 117.94 1n5x h GLN 626 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1n5x h GLN 626 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1n5x h GLN 626 CO -0.12 0.00 -0.19 0.87 -0.67 0.00 0.00 178.83 178.72 1n5x h LYS 627 N 0.00 0.00 -6.83 1.46 1.57 -1.40 -3.46 116.57 107.91 1n5x h LYS 627 Ca 0.16 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.43 1n5x h LYS 627 Cb 1.42 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.77 1n5x h LYS 627 CO -0.00 0.00 0.53 0.08 -0.57 0.00 0.00 179.45 179.49 1n5x s VAL 628 N -3.13 3.24 0.24 0.50 1.01 0.14 -4.96 120.40 117.45 1n5x s VAL 628 Ca 0.09 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.01 1n5x s VAL 628 Cb 0.12 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1n5x s VAL 628 CO 0.64 0.30 1.67 -2.84 0.00 0.00 0.00 175.10 174.87 1n5x s PRO 629 N -1.55 4.12 0.00 2.72 0.02 -1.26 -2.42 135.00 136.63 1n5x s PRO 629 Ca 0.46 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.08 1n5x s PRO 629 Cb -0.34 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1n5x s PRO 629 CO 0.45 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1n5x n GLY 630 N 3.20 1.26 3.71 0.52 0.00 -1.26 -4.77 105.19 107.84 1n5x n GLY 630 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1n5x n GLY 630 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n5x n PHE 631 N -2.00 2.67 -0.07 1.61 7.35 -1.02 -1.34 117.46 124.66 1n5x n PHE 631 Ca 0.00 0.08 -0.10 0.00 -0.76 0.00 0.00 57.45 56.67 1n5x n PHE 631 Cb 0.00 -2.65 -0.03 0.00 0.35 0.00 0.00 39.48 37.15 1n5x n PHE 631 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1n5x n VAL 632 N 3.87 1.42 -3.72 -2.13 0.31 0.47 -4.93 118.33 113.62 1n5x n VAL 632 Ca 0.16 0.12 -0.04 0.00 -0.01 0.00 0.00 64.34 64.57 1n5x n VAL 632 Cb 0.34 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 1n5x n VAL 632 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n5x s PHE 634 N -3.26 2.80 -0.08 0.00 5.36 -1.26 -1.13 117.98 120.41 1n5x s PHE 634 Ca 0.11 -1.13 -0.05 0.00 -0.96 0.00 0.00 56.93 54.91 1n5x s PHE 634 Cb -0.01 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.71 1n5x s PHE 634 CO 0.01 -0.54 0.14 -0.51 -1.46 0.00 0.00 175.22 172.86 1n5x s LEU 635 N 0.97 4.32 0.24 6.12 1.43 0.27 -4.93 118.68 127.11 1n5x s LEU 635 Ca -0.02 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 1n5x s LEU 635 Cb -0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1n5x s LEU 635 CO -0.02 0.36 0.31 -0.94 0.23 0.00 0.00 176.35 176.29 1n5x s SER 636 N -1.30 0.23 0.35 2.29 1.04 -1.26 -0.75 113.70 114.31 1n5x s SER 636 Ca 0.19 -1.24 0.16 0.00 0.48 0.00 0.00 55.95 55.53 1n5x s SER 636 Cb -0.12 0.50 1.17 0.00 0.10 0.00 0.00 66.02 67.68 1n5x s SER 636 CO 0.08 -1.02 1.60 0.00 0.98 0.00 0.00 173.24 174.88 1n5x h ALA 637 N 2.39 1.94 -0.97 5.32 0.00 -1.79 -0.90 119.26 125.25 1n5x h ALA 637 Ca -0.31 0.26 0.23 0.00 0.00 0.00 0.00 54.91 55.09 1n5x h ALA 637 Cb 1.25 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1n5x h ALA 637 CO 0.44 -0.79 0.64 -0.44 0.00 0.00 0.00 179.25 179.09 1n5x h ASP 638 N 0.09 0.43 1.31 0.00 3.45 -1.95 -2.29 116.42 117.47 1n5x h ASP 638 Ca 0.77 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 58.28 1n5x h ASP 638 Cb 1.92 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 40.67 1n5x h ASP 638 CO -0.74 0.14 -0.07 0.44 -1.57 0.00 0.00 179.24 177.44 1n5x h ASP 639 N 0.41 0.00 -2.49 6.45 3.32 -1.57 -3.45 116.42 119.09 1n5x h ASP 639 Ca 0.53 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 57.04 1n5x h ASP 639 Cb 1.32 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.89 1n5x h ASP 639 CO -0.23 0.07 1.15 -0.63 -1.72 0.00 0.00 179.24 177.88 1n5x s ILE 640 N -3.50 2.93 0.13 0.35 1.01 -0.86 -4.89 121.20 116.36 1n5x s ILE 640 Ca 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 1n5x s ILE 640 Cb 0.08 -3.11 -0.20 0.00 0.01 0.00 0.00 42.46 39.24 1n5x s ILE 640 CO 0.61 -0.01 1.28 1.55 0.00 0.00 0.00 174.94 178.37 1n5x h PRO 641 N 9.52 0.26 0.00 2.79 0.13 -1.84 -3.45 132.00 139.41 1n5x h PRO 641 Ca -0.46 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1n5x h PRO 641 Cb 1.22 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1n5x h PRO 641 CO 0.94 1.08 0.00 0.41 -0.23 0.00 0.00 178.00 180.20 1n5x n GLY 642 N 1.13 0.89 3.29 1.56 0.00 0.16 -4.82 105.19 107.41 1n5x n GLY 642 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1n5x n GLY 642 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n5x s SER 643 N -1.00 2.65 0.00 1.61 1.04 -1.03 -4.93 113.70 112.04 1n5x s SER 643 Ca 0.00 -0.65 0.29 0.00 0.48 0.00 0.00 55.95 56.08 1n5x s SER 643 Cb 0.00 -0.17 1.36 0.00 0.10 0.00 0.00 66.02 67.31 1n5x s SER 643 CO 0.00 0.11 1.93 -3.20 0.98 0.00 0.00 173.24 173.06 1n5x n ASN 644 N 1.29 0.54 -4.55 7.02 2.85 -1.26 -4.31 115.26 116.84 1n5x n ASN 644 Ca -0.19 -0.83 -0.43 0.00 -0.11 0.00 0.00 54.58 53.02 1n5x n ASN 644 Cb 0.53 -0.05 -0.04 0.00 1.24 0.00 0.00 39.78 41.47 1n5x n ASN 644 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1n5x s GLU 645 N -2.28 3.43 0.00 1.20 2.12 -1.26 -1.08 118.70 120.83 1n5x s GLU 645 Ca 0.35 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1n5x s GLU 645 Cb 0.21 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1n5x s GLU 645 CO 0.42 -1.42 0.00 -2.37 -0.54 0.00 0.00 175.26 171.35 1n5x n THR 646 N 6.35 0.00 0.00 -1.70 5.66 -0.77 -4.92 114.28 118.90 1n5x n THR 646 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1n5x n THR 646 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1n5x n THR 646 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1n5x n GLY 647 N 3.31 -0.72 0.41 1.09 0.00 -1.26 -2.56 105.19 105.46 1n5x n GLY 647 Ca 0.00 -1.53 0.22 0.00 0.00 0.00 0.00 46.02 44.71 1n5x n GLY 647 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n5x h LEU 648 N 0.00 0.00 -2.72 0.99 5.85 -1.98 -1.98 115.31 115.47 1n5x h LEU 648 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n5x h LEU 648 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1n5x h LEU 648 CO 0.00 0.00 -0.13 0.49 -0.34 0.00 0.00 178.44 178.46 1n5x n PHE 649 N -3.64 0.00 -3.33 1.25 3.01 -1.26 -4.99 117.46 108.49 1n5x n PHE 649 Ca 0.10 -0.72 -0.24 0.00 1.01 0.00 0.00 57.45 57.60 1n5x n PHE 649 Cb 0.78 -0.12 0.02 0.00 -0.01 0.00 0.00 39.48 40.15 1n5x n PHE 649 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1n5x n ASN 650 N -1.03 -5.04 -0.23 4.37 4.13 -0.74 -4.84 115.26 111.87 1n5x n ASN 650 Ca 0.11 -0.42 0.06 0.00 1.68 0.00 0.00 54.58 56.01 1n5x n ASN 650 Cb 0.65 -4.09 0.11 0.00 -1.54 0.00 0.00 39.78 34.91 1n5x n ASN 650 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1n5x n ASP 651 N -2.52 2.51 -4.52 6.41 3.85 -1.18 -4.82 116.55 116.28 1n5x n ASP 651 Ca -0.04 -2.53 -0.24 0.00 -0.71 0.00 0.00 54.79 51.26 1n5x n ASP 651 Cb 0.57 -0.26 -0.11 0.00 -1.35 0.00 0.00 41.12 39.97 1n5x n ASP 651 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1n5x s GLU 652 N -1.93 1.76 0.21 0.11 2.02 -1.06 -4.89 118.70 114.92 1n5x s GLU 652 Ca 0.20 -1.96 0.10 0.00 0.02 0.00 0.00 54.97 53.34 1n5x s GLU 652 Cb 0.16 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 1n5x s GLU 652 CO 0.04 -0.04 -0.15 0.95 0.02 0.00 0.00 175.26 176.09 1n5x s THR 653 N -2.92 2.83 -0.05 3.63 -4.23 -1.26 -1.85 115.64 111.79 1n5x s THR 653 Ca 0.34 -1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 58.70 1n5x s THR 653 Cb 0.07 -2.42 -0.31 0.00 1.34 0.00 0.00 72.50 71.18 1n5x s THR 653 CO 0.16 -0.20 0.86 0.58 -0.54 0.00 0.00 174.62 175.48 1n5x h VAL 654 N 2.70 1.42 -3.63 2.29 2.07 -1.46 -3.45 116.25 116.20 1n5x h VAL 654 Ca -0.45 -2.54 -0.41 0.00 0.82 0.00 0.00 66.70 64.12 1n5x h VAL 654 Cb 1.22 3.12 -0.32 0.00 -1.52 0.00 0.00 31.29 33.79 1n5x h VAL 654 CO 0.54 0.73 -0.78 -0.36 0.02 0.00 0.00 177.57 177.72 1n5x s PHE 655 N -2.46 0.83 0.32 1.57 2.99 -1.26 -4.89 117.98 115.08 1n5x s PHE 655 Ca -0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 56.93 56.28 1n5x s PHE 655 Cb 0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 43.02 42.27 1n5x s PHE 655 CO 0.84 -0.14 1.57 0.00 -0.00 0.00 0.00 175.22 177.48 1n5x n ALA 656 N 3.64 2.54 -3.57 5.36 0.00 0.74 -4.61 120.51 124.62 1n5x n ALA 656 Ca -0.22 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 1n5x n ALA 656 Cb 0.53 -2.46 -0.16 0.00 0.00 0.00 0.00 19.45 17.36 1n5x n ALA 656 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1n5x s LYS 657 N -0.99 1.22 0.00 0.00 2.20 -1.26 -4.52 119.74 116.39 1n5x s LYS 657 Ca 0.61 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 1n5x s LYS 657 Cb -0.49 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 34.73 1n5x s LYS 657 CO 0.53 -0.05 0.00 -0.25 -0.36 0.00 0.00 175.35 175.23 1n5x n ASP 658 N 4.00 0.00 -4.10 1.43 8.00 -1.26 -4.84 116.55 119.78 1n5x n ASP 658 Ca -0.23 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.12 1n5x n ASP 658 Cb 0.51 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.49 1n5x n ASP 658 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n5x s THR 659 N 0.00 0.74 0.01 -3.53 -4.23 -1.26 0.42 115.64 107.79 1n5x s THR 659 Ca 0.00 -1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1n5x s THR 659 Cb 0.00 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 1n5x s THR 659 CO 0.00 -0.29 0.11 0.68 -0.54 0.00 0.00 174.62 174.58 1n5x s VAL 660 N -1.26 4.91 -0.13 2.29 -7.23 -0.25 -4.91 120.40 113.81 1n5x s VAL 660 Ca -0.06 -0.40 0.15 0.00 -1.81 0.00 0.00 61.98 59.85 1n5x s VAL 660 Cb -0.10 -3.28 0.32 0.00 0.56 0.00 0.00 36.38 33.89 1n5x s VAL 660 CO 0.01 0.30 1.16 0.35 -0.31 0.00 0.00 175.10 176.61 1n5x n THR 661 N 0.98 1.55 0.00 5.32 -2.24 -1.26 -2.28 114.28 116.35 1n5x n THR 661 Ca -0.11 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 1n5x n THR 661 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1n5x n THR 661 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5x s VAL 663 N -2.00 3.75 0.00 0.00 1.01 -1.21 -2.46 120.40 119.48 1n5x s VAL 663 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1n5x s VAL 663 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1n5x s VAL 663 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1n5x n GLY 664 N 2.88 0.51 3.70 4.51 0.00 0.17 -4.50 105.19 112.45 1n5x n GLY 664 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1n5x n GLY 664 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n5x s HIS 665 N -2.21 2.61 -0.13 1.61 5.04 -1.03 -4.51 115.29 116.67 1n5x s HIS 665 Ca 0.00 0.34 -0.29 0.00 -1.54 0.00 0.00 55.06 53.57 1n5x s HIS 665 Cb 0.00 -4.02 -0.03 0.00 0.04 0.00 0.00 32.58 28.57 1n5x s HIS 665 CO 0.00 -4.00 1.41 0.42 -2.34 0.00 0.00 174.74 170.23 1n5x s ILE 666 N 2.05 4.02 -0.20 0.89 1.09 -1.26 -0.03 121.20 127.74 1n5x s ILE 666 Ca 0.74 1.22 0.06 0.00 -1.10 0.00 0.00 60.65 61.58 1n5x s ILE 666 Cb -0.43 -3.80 -0.21 0.00 -1.06 0.00 0.00 42.46 36.96 1n5x s ILE 666 CO 0.33 -0.12 0.01 -0.38 -0.10 0.00 0.00 174.94 174.69 1n5x n ILE 667 N 5.44 1.51 -2.71 2.92 5.41 -0.26 -0.18 119.36 131.48 1n5x n ILE 667 Ca 0.15 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.22 1n5x n ILE 667 Cb 0.44 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 1n5x n ILE 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n5x n GLY 668 N 2.01 1.47 3.50 7.39 0.00 -0.96 -3.86 105.19 114.74 1n5x n GLY 668 Ca -0.38 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1n5x n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5x s ALA 669 N -1.00 -1.74 -0.07 4.61 0.00 0.08 -0.50 121.76 123.14 1n5x s ALA 669 Ca 0.00 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.08 1n5x s ALA 669 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1n5x s ALA 669 CO 0.00 -0.47 -0.02 0.08 0.00 0.00 0.00 175.76 175.34 1n5x s VAL 670 N -1.87 4.08 -0.08 0.00 1.01 -0.36 0.97 120.40 124.16 1n5x s VAL 670 Ca -0.07 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1n5x s VAL 670 Cb -0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1n5x s VAL 670 CO 0.03 0.57 -0.21 -0.69 0.00 0.00 0.00 175.10 174.80 1n5x s VAL 671 N -0.89 2.41 0.31 2.92 1.01 -0.28 -1.24 120.40 124.64 1n5x s VAL 671 Ca 0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1n5x s VAL 671 Cb -0.11 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1n5x s VAL 671 CO 0.03 0.56 0.41 0.00 0.00 0.00 0.00 175.10 176.10 1n5x s ALA 672 N -0.03 0.82 -0.68 5.51 0.00 -0.16 -0.39 121.76 126.82 1n5x s ALA 672 Ca -0.06 -1.53 0.24 0.00 0.00 0.00 0.00 51.96 50.61 1n5x s ALA 672 Cb -0.15 1.22 0.91 0.00 0.00 0.00 0.00 23.12 25.10 1n5x s ALA 672 CO 0.05 -0.76 1.73 -0.40 0.00 0.00 0.00 175.76 176.38 1n5x n ASP 673 N -1.14 0.58 -4.05 0.00 3.85 -0.45 -1.26 116.55 114.07 1n5x n ASP 673 Ca 0.02 0.60 -0.10 0.00 -0.71 0.00 0.00 54.79 54.60 1n5x n ASP 673 Cb 0.62 -0.74 -0.08 0.00 -1.35 0.00 0.00 41.12 39.57 1n5x n ASP 673 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1n5x s THR 674 N -3.17 0.07 0.05 2.12 -4.23 -1.26 -4.75 115.64 104.46 1n5x s THR 674 Ca 0.08 -1.62 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1n5x s THR 674 Cb 0.11 -2.00 -0.16 0.00 1.34 0.00 0.00 72.50 71.80 1n5x s THR 674 CO 0.47 -0.30 1.52 -0.65 -0.54 0.00 0.00 174.62 175.11 1n5x h PRO 675 N 2.64 0.09 -0.63 3.99 0.11 -1.93 -2.75 132.00 133.51 1n5x h PRO 675 Ca -0.33 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.88 1n5x h PRO 675 Cb 1.22 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1n5x h PRO 675 CO 0.51 0.31 0.13 0.93 -0.21 0.00 0.00 178.00 179.67 1n5x h GLU 676 N -0.15 0.25 -0.47 1.05 3.07 -1.99 -0.05 114.58 116.30 1n5x h GLU 676 Ca 0.02 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1n5x h GLU 676 Cb 0.26 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1n5x h GLU 676 CO 0.00 0.17 0.07 0.45 -1.40 0.00 0.00 179.01 178.30 1n5x h HIS 677 N 0.26 0.83 -0.64 4.33 3.86 -1.85 -0.07 115.15 121.87 1n5x h HIS 677 Ca 0.34 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1n5x h HIS 677 Cb 0.52 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1n5x h HIS 677 CO -0.26 0.78 0.17 0.00 0.86 0.00 0.00 177.93 179.48 1n5x h ALA 678 N 0.95 0.84 0.63 2.45 0.00 -1.13 0.18 119.26 123.18 1n5x h ALA 678 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1n5x h ALA 678 Cb 0.40 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1n5x h ALA 678 CO 0.01 0.55 -0.30 1.49 0.00 0.00 0.00 179.25 180.99 1n5x h GLU 679 N 0.94 -0.82 -0.15 0.00 4.81 -0.81 0.22 114.58 118.77 1n5x h GLU 679 Ca 0.20 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1n5x h GLU 679 Cb 0.35 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1n5x h GLU 679 CO 0.00 -0.52 0.02 0.00 -0.73 0.00 0.00 179.01 177.78 1n5x h ARG 680 N -0.91 0.07 -0.91 1.92 3.08 -0.92 -1.43 114.38 115.28 1n5x h ARG 680 Ca -0.09 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.00 1n5x h ARG 680 Cb 0.67 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 1n5x h ARG 680 CO 0.14 0.05 0.59 0.00 -1.07 0.00 0.00 179.97 179.68 1n5x h ALA 681 N 1.11 1.21 -0.14 0.04 0.00 -0.60 -1.70 119.26 119.18 1n5x h ALA 681 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1n5x h ALA 681 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1n5x h ALA 681 CO -0.10 0.44 -0.14 0.00 0.00 0.00 0.00 179.25 179.46 1n5x h ALA 682 N 1.38 1.51 0.00 0.00 0.00 -0.06 -2.76 119.26 119.32 1n5x h ALA 682 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n5x h ALA 682 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n5x h ALA 682 CO -0.12 0.35 0.00 1.25 0.00 0.00 0.00 179.25 180.73 1n5x h HIS 683 N 0.21 0.00 -0.27 0.00 6.17 -0.30 -3.05 115.15 117.91 1n5x h HIS 683 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1n5x h HIS 683 Cb 0.38 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1n5x h HIS 683 CO 0.01 0.00 0.00 1.33 0.71 0.00 0.00 177.93 179.98 1n5x n VAL 684 N -2.33 1.93 -2.72 5.26 0.24 -1.04 -4.93 118.33 114.74 1n5x n VAL 684 Ca 0.03 -1.65 -0.43 0.00 -2.04 0.00 0.00 64.34 60.24 1n5x n VAL 684 Cb 0.27 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 1n5x n VAL 684 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1n5x s VAL 685 N -2.34 4.54 -0.39 3.34 1.01 -1.16 -4.20 120.40 121.21 1n5x s VAL 685 Ca 0.36 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.57 1n5x s VAL 685 Cb 0.28 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1n5x s VAL 685 CO 0.10 -0.51 0.87 -0.75 0.00 0.00 0.00 175.10 174.81 1n5x s LYS 686 N 3.58 3.72 -0.17 2.72 2.20 0.43 -4.89 119.74 127.34 1n5x s LYS 686 Ca 0.42 0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 56.32 1n5x s LYS 686 Cb -0.12 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1n5x s LYS 686 CO 0.17 -0.98 0.06 0.08 -0.36 0.00 0.00 175.35 174.32 1n5x s VAL 687 N 3.38 4.75 -0.23 4.02 1.01 -1.26 -0.13 120.40 131.94 1n5x s VAL 687 Ca 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 1n5x s VAL 687 Cb -0.12 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1n5x s VAL 687 CO 0.20 0.49 -0.02 0.42 0.00 0.00 0.00 175.10 176.18 1n5x s THR 688 N 0.17 3.55 0.41 3.92 -4.23 -0.18 -5.00 115.64 114.27 1n5x s THR 688 Ca 0.04 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.18 1n5x s THR 688 Cb -0.12 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1n5x s THR 688 CO 0.01 0.40 0.38 -0.31 -0.54 0.00 0.00 174.62 174.55 1n5x s TYR 689 N 1.50 2.74 -0.34 3.99 1.51 -1.26 -0.36 117.35 125.14 1n5x s TYR 689 Ca 0.06 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1n5x s TYR 689 Cb -0.14 -2.13 0.13 0.00 -0.11 0.00 0.00 41.96 39.70 1n5x s TYR 689 CO -0.02 -0.09 0.19 -2.00 -1.11 0.00 0.00 175.55 172.52 1n5x s GLU 690 N -4.12 0.54 0.50 -0.62 2.12 -0.60 -4.86 118.70 111.65 1n5x s GLU 690 Ca 0.47 -1.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.41 1n5x s GLU 690 Cb -0.04 -1.39 -0.12 0.00 0.26 0.00 0.00 34.13 32.84 1n5x s GLU 690 CO 0.28 -1.15 0.36 -0.25 -0.54 0.00 0.00 175.26 173.96 1n5x n ASP 691 N 4.31 -1.69 -4.24 -1.70 8.00 -1.26 -0.87 116.55 119.09 1n5x n ASP 691 Ca 0.07 0.78 -0.19 0.00 0.71 0.00 0.00 54.79 56.16 1n5x n ASP 691 Cb 0.38 -1.06 -0.11 0.00 -0.02 0.00 0.00 41.12 40.30 1n5x n ASP 691 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n5x s LEU 692 N 2.24 2.37 -0.30 0.64 1.43 -0.63 -4.76 118.68 119.68 1n5x s LEU 692 Ca 0.64 -0.77 -0.36 0.00 -1.03 0.00 0.00 54.13 52.61 1n5x s LEU 692 Cb -0.52 -0.59 -0.12 0.00 0.03 0.00 0.00 46.19 44.99 1n5x s LEU 692 CO 0.59 -0.11 2.06 -2.65 0.23 0.00 0.00 176.35 176.47 1n5x n PRO 693 N 0.69 1.25 -3.64 1.29 -0.02 -1.26 -4.65 135.00 128.67 1n5x n PRO 693 Ca -0.17 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 1n5x n PRO 693 Cb 0.56 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 1n5x n PRO 693 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n5x s ALA 694 N 6.11 3.76 -0.34 3.55 0.00 -1.26 -5.01 121.76 128.57 1n5x s ALA 694 Ca 1.05 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1n5x s ALA 694 Cb -0.88 -2.19 0.10 0.00 0.00 0.00 0.00 23.12 20.14 1n5x s ALA 694 CO 0.53 0.61 0.06 0.42 0.00 0.00 0.00 175.76 177.38 1n5x s ILE 695 N -1.46 2.51 -0.22 0.00 1.01 -1.26 -5.00 121.20 116.79 1n5x s ILE 695 Ca 0.34 -2.16 -0.18 0.00 0.00 0.00 0.00 60.65 58.65 1n5x s ILE 695 Cb -0.13 -2.76 -0.18 0.00 0.01 0.00 0.00 42.46 39.40 1n5x s ILE 695 CO 0.19 -0.53 0.09 -0.38 0.00 0.00 0.00 174.94 174.32 1n5x n ILE 696 N 4.36 1.56 -3.10 2.92 2.08 -1.26 -0.84 119.36 125.07 1n5x n ILE 696 Ca -0.00 -0.17 -0.21 0.00 0.56 0.00 0.00 62.75 62.93 1n5x n ILE 696 Cb 0.42 -1.96 0.01 0.00 -0.75 0.00 0.00 39.64 37.35 1n5x n ILE 696 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1n5x s THR 697 N -2.42 3.78 0.32 1.39 -4.23 -1.26 -4.66 115.64 108.56 1n5x s THR 697 Ca -0.31 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1n5x s THR 697 Cb 0.08 -3.36 0.28 0.00 1.34 0.00 0.00 72.50 70.84 1n5x s THR 697 CO 0.59 -0.21 1.93 0.40 -0.54 0.00 0.00 174.62 176.79 1n5x h ILE 698 N 0.53 1.06 0.12 2.99 2.04 -1.96 -0.91 117.51 121.38 1n5x h ILE 698 Ca -0.45 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1n5x h ILE 698 Cb 1.26 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1n5x h ILE 698 CO 0.54 0.17 -0.15 -0.33 0.00 0.00 0.00 178.15 178.39 1n5x h GLU 699 N 0.95 -0.27 -0.89 2.37 3.07 -1.99 0.13 114.58 117.95 1n5x h GLU 699 Ca 0.36 0.02 0.22 0.00 -0.50 0.00 0.00 59.36 59.46 1n5x h GLU 699 Cb 0.19 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 1n5x h GLU 699 CO -0.13 -0.18 0.61 -0.44 -1.40 0.00 0.00 179.01 177.47 1n5x h ASP 700 N -0.28 0.26 -0.05 1.42 3.32 -1.88 0.99 116.42 120.20 1n5x h ASP 700 Ca -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1n5x h ASP 700 Cb 0.25 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1n5x h ASP 700 CO -0.03 0.10 0.03 0.00 -1.72 0.00 0.00 179.24 177.62 1n5x h ALA 701 N 1.60 0.07 -0.06 3.45 0.00 -0.49 0.45 119.26 124.27 1n5x h ALA 701 Ca 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1n5x h ALA 701 Cb 1.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1n5x h ALA 701 CO -0.12 -0.42 -0.02 0.82 0.00 0.00 0.00 179.25 179.50 1n5x h ILE 702 N 0.04 1.31 -0.04 0.00 2.04 0.26 0.88 117.51 122.01 1n5x h ILE 702 Ca 0.02 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.92 1n5x h ILE 702 Cb 0.03 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1n5x h ILE 702 CO -0.00 0.27 -0.47 0.50 0.00 0.00 0.00 178.15 178.44 1n5x h LYS 703 N -0.24 -0.55 0.00 2.37 3.64 0.93 -1.10 116.57 121.62 1n5x h LYS 703 Ca 0.01 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n5x h LYS 703 Cb 0.44 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1n5x h LYS 703 CO 0.01 -0.36 0.00 0.09 -2.27 0.00 0.00 179.45 176.91 1n5x n ASN 704 N -5.08 0.00 -3.64 4.20 4.13 0.16 -4.89 115.26 110.13 1n5x n ASN 704 Ca -0.06 -1.26 -0.23 0.00 1.68 0.00 0.00 54.58 54.71 1n5x n ASN 704 Cb 0.34 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.65 1n5x n ASN 704 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1n5x n ASN 705 N -0.81 -4.21 -4.35 6.41 4.05 -0.26 -4.94 115.26 111.16 1n5x n ASN 705 Ca 0.14 -0.65 -0.46 0.00 0.45 0.00 0.00 54.58 54.06 1n5x n ASN 705 Cb 0.06 -4.68 -0.04 0.00 1.23 0.00 0.00 39.78 36.35 1n5x n ASN 705 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1n5x s SER 706 N -3.73 6.38 0.33 1.20 0.15 0.29 -5.00 113.70 113.31 1n5x s SER 706 Ca 0.37 -1.95 0.02 0.00 0.70 0.00 0.00 55.95 55.09 1n5x s SER 706 Cb -0.17 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1n5x s SER 706 CO 0.76 -0.88 0.08 0.49 1.20 0.00 0.00 173.24 174.89 1n5x n PHE 707 N 5.33 0.35 -3.91 3.44 3.01 -1.26 -0.90 117.46 123.52 1n5x n PHE 707 Ca -0.02 -1.95 -0.29 0.00 1.01 0.00 0.00 57.45 56.20 1n5x n PHE 707 Cb 0.43 -0.08 -0.16 0.00 -0.01 0.00 0.00 39.48 39.66 1n5x n PHE 707 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1n5x s TYR 708 N -2.60 1.84 0.09 1.38 4.12 -0.69 -4.53 117.35 116.97 1n5x s TYR 708 Ca 0.11 -1.20 0.00 0.00 0.02 0.00 0.00 57.07 56.00 1n5x s TYR 708 Cb 0.01 -1.38 0.00 0.00 -1.52 0.00 0.00 41.96 39.07 1n5x s TYR 708 CO 0.08 -0.65 0.00 0.41 0.02 0.00 0.00 175.55 175.41 1n5x n GLY 709 N 4.84 -1.81 3.91 0.71 0.00 -1.26 -4.40 105.19 107.17 1n5x n GLY 709 Ca -0.12 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 1n5x n GLY 709 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n5x s SER 710 N -4.35 6.03 0.38 1.61 1.04 -1.26 -4.89 113.70 112.25 1n5x s SER 710 Ca 0.00 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1n5x s SER 710 Cb 0.00 -1.70 -0.16 0.00 0.10 0.00 0.00 66.02 64.26 1n5x s SER 710 CO 0.00 -0.02 0.14 1.21 0.98 0.00 0.00 173.24 175.54 1n5x n GLU 711 N -1.06 0.00 -4.11 4.02 2.13 -1.26 -4.97 120.64 115.38 1n5x n GLU 711 Ca -0.08 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.51 1n5x n GLU 711 Cb 0.56 -0.99 -0.05 0.00 0.27 0.00 0.00 31.44 31.23 1n5x n GLU 711 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1n5x s LEU 712 N 4.17 3.79 -0.16 4.31 1.02 -0.36 -4.92 118.68 126.53 1n5x s LEU 712 Ca 0.59 -0.23 -0.30 0.00 0.02 0.00 0.00 54.13 54.21 1n5x s LEU 712 Cb -0.67 -2.34 0.13 0.00 0.02 0.00 0.00 46.19 43.33 1n5x s LEU 712 CO 0.62 -0.01 0.99 -0.75 0.02 0.00 0.00 176.35 177.22 1n5x s LYS 713 N -3.65 0.60 -0.10 1.70 2.20 -1.26 -2.07 119.74 117.16 1n5x s LYS 713 Ca 0.32 0.14 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 1n5x s LYS 713 Cb -0.08 0.28 0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1n5x s LYS 713 CO 0.24 -0.19 0.14 0.42 -0.36 0.00 0.00 175.35 175.61 1n5x s ILE 714 N -1.13 -0.23 -0.03 5.43 1.01 -0.86 -4.94 121.20 120.45 1n5x s ILE 714 Ca -0.02 0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.95 1n5x s ILE 714 Cb -0.00 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.13 1n5x s ILE 714 CO 0.02 0.08 -0.14 -0.70 0.00 0.00 0.00 174.94 174.20 1n5x s GLU 715 N 2.26 1.32 -0.07 2.79 2.12 -1.26 -1.83 118.70 124.04 1n5x s GLU 715 Ca 0.04 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 1n5x s GLU 715 Cb -0.13 -1.20 0.04 0.00 0.26 0.00 0.00 34.13 33.09 1n5x s GLU 715 CO -0.06 0.22 0.15 0.21 -0.54 0.00 0.00 175.26 175.24 1n5x s LYS 716 N -0.02 0.11 1.24 4.30 2.20 0.09 -5.00 119.74 122.66 1n5x s LYS 716 Ca -0.01 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1n5x s LYS 716 Cb -0.09 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1n5x s LYS 716 CO 0.01 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1n5x n GLY 717 N 4.07 -0.40 2.86 5.54 0.00 -1.25 -0.77 105.19 115.25 1n5x n GLY 717 Ca -0.25 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1n5x n GLY 717 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n5x s ASP 718 N -4.00 3.94 0.04 1.61 -1.08 -1.26 -4.92 116.67 110.99 1n5x s ASP 718 Ca 0.00 -1.43 -0.29 0.00 -0.52 0.00 0.00 52.55 50.31 1n5x s ASP 718 Cb 0.00 -1.08 -0.17 0.00 -1.46 0.00 0.00 42.92 40.21 1n5x s ASP 718 CO 0.00 -0.32 1.40 -0.07 0.52 0.00 0.00 175.17 176.69 1n5x h LEU 719 N 7.98 -0.65 -0.44 -1.34 3.38 -1.90 0.50 115.31 122.84 1n5x h LEU 719 Ca -0.14 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1n5x h LEU 719 Cb 1.05 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1n5x h LEU 719 CO 0.44 -0.35 -0.34 0.50 0.09 0.00 0.00 178.44 178.78 1n5x h LYS 720 N -0.93 -0.23 -0.46 1.13 3.11 -2.00 0.47 116.57 117.66 1n5x h LYS 720 Ca -0.08 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1n5x h LYS 720 Cb 0.64 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1n5x h LYS 720 CO 0.13 -0.16 0.30 -0.22 -2.81 0.00 0.00 179.45 176.69 1n5x h LYS 721 N -0.24 0.61 0.10 1.90 3.64 -1.97 -2.36 116.57 118.24 1n5x h LYS 721 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1n5x h LYS 721 Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1n5x h LYS 721 CO -0.57 0.41 -0.05 0.78 -2.27 0.00 0.00 179.45 177.76 1n5x h GLY 722 N 0.64 -0.13 1.01 5.01 0.00 0.46 -3.00 103.07 107.05 1n5x h GLY 722 Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1n5x h GLY 722 CO -0.03 -0.05 0.22 0.74 0.00 0.00 0.00 176.54 177.42 1n5x h PHE 723 N -0.56 0.97 -0.42 5.60 -1.00 -0.87 -2.33 116.94 118.33 1n5x h PHE 723 Ca -0.01 -0.09 0.12 0.00 2.81 0.00 0.00 57.97 60.80 1n5x h PHE 723 Cb 0.46 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1n5x h PHE 723 CO 0.06 0.79 0.51 1.03 -1.61 0.00 0.00 178.31 179.09 1n5x h SER 724 N 0.88 0.00 -0.01 2.17 0.87 -1.45 0.29 113.55 116.29 1n5x h SER 724 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1n5x h SER 724 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1n5x h SER 724 CO -0.01 0.00 -0.42 -0.62 -0.53 0.00 0.00 176.83 175.25 1n5x n GLU 725 N -3.56 1.57 -2.79 2.24 1.02 -0.91 -4.97 120.64 113.25 1n5x n GLU 725 Ca 0.08 -0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 56.06 1n5x n GLU 725 Cb 0.68 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.76 1n5x n GLU 725 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n5x s ALA 726 N -2.09 3.30 0.06 0.62 0.00 0.10 -4.94 121.76 118.81 1n5x s ALA 726 Ca 0.13 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 1n5x s ALA 726 Cb 0.14 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.84 1n5x s ALA 726 CO 0.47 -0.36 1.42 -0.44 0.00 0.00 0.00 175.76 176.85 1n5x h ASP 727 N 6.94 -1.00 -3.02 0.00 3.32 -1.60 -3.45 116.42 117.62 1n5x h ASP 727 Ca -0.37 0.07 -0.62 0.00 0.02 0.00 0.00 57.03 56.13 1n5x h ASP 727 Cb 1.18 0.31 -0.13 0.00 0.22 0.00 0.00 39.33 40.92 1n5x h ASP 727 CO 0.79 -0.54 -0.70 0.20 -1.72 0.00 0.00 179.24 177.27 1n5x s ASN 728 N -3.73 4.46 -0.03 6.45 0.01 0.15 -4.95 114.94 117.30 1n5x s ASN 728 Ca -0.14 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.53 1n5x s ASN 728 Cb 0.03 -0.84 0.01 0.00 0.41 0.00 0.00 41.25 40.86 1n5x s ASN 728 CO 0.45 0.11 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.42 1n5x s VAL 729 N -1.66 0.41 -0.01 1.60 1.01 -1.26 -0.47 120.40 120.02 1n5x s VAL 729 Ca 0.25 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1n5x s VAL 729 Cb -0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1n5x s VAL 729 CO 0.16 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.53 1n5x s VAL 730 N 0.55 1.62 0.14 2.92 1.01 -0.47 -4.95 120.40 121.21 1n5x s VAL 730 Ca -0.06 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1n5x s VAL 730 Cb -0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1n5x s VAL 730 CO -0.00 0.45 -0.17 -0.44 0.00 0.00 0.00 175.10 174.93 1n5x s SER 731 N -0.50 2.46 0.02 3.32 0.01 -1.26 0.20 113.70 117.94 1n5x s SER 731 Ca 0.08 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 1n5x s SER 731 Cb -0.08 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1n5x s SER 731 CO -0.01 -0.05 0.16 0.61 0.41 0.00 0.00 173.24 174.36 1n5x n GLY 732 N 0.47 0.99 3.14 3.44 0.00 -0.87 -4.96 105.19 107.40 1n5x n GLY 732 Ca -0.15 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1n5x n GLY 732 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n5x s GLU 733 N -2.01 0.28 0.10 1.61 2.12 -1.26 -2.52 118.70 117.03 1n5x s GLU 733 Ca 0.04 0.61 0.06 0.00 0.36 0.00 0.00 54.97 56.04 1n5x s GLU 733 Cb -0.00 -0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 1n5x s GLU 733 CO 0.01 -0.15 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.26 1n5x s LEU 734 N 1.21 2.35 -0.01 2.70 2.96 0.53 -4.97 118.68 123.45 1n5x s LEU 734 Ca -0.09 -0.74 0.03 0.00 -0.22 0.00 0.00 54.13 53.11 1n5x s LEU 734 Cb -0.09 -0.57 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 1n5x s LEU 734 CO -0.09 -0.10 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.28 1n5x s TYR 735 N -1.77 0.80 -0.10 5.38 5.04 -1.26 -0.59 117.35 124.84 1n5x s TYR 735 Ca 0.05 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.53 1n5x s TYR 735 Cb -0.07 -0.53 0.02 0.00 0.35 0.00 0.00 41.96 41.73 1n5x s TYR 735 CO 0.03 -0.03 -0.11 0.42 -1.34 0.00 0.00 175.55 174.52 1n5x s ILE 736 N -0.09 1.18 0.89 3.14 1.01 -0.58 -1.06 121.20 125.70 1n5x s ILE 736 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1n5x s ILE 736 Cb -0.05 -1.14 0.13 0.00 0.01 0.00 0.00 42.46 41.41 1n5x s ILE 736 CO -0.00 0.38 1.09 -0.83 0.00 0.00 0.00 174.94 175.59 1n5x s GLY 737 N 1.29 1.61 0.00 6.18 0.00 -0.54 -1.52 107.32 114.34 1n5x s GLY 737 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1n5x s GLY 737 CO -0.04 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1n5x n GLY 738 N -1.21 -1.29 3.64 0.20 0.00 -1.26 -4.64 105.19 100.64 1n5x n GLY 738 Ca 0.07 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 1n5x n GLY 738 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n5x s GLN 739 N 0.00 0.40 -0.13 1.61 0.74 -1.25 -4.82 119.66 116.21 1n5x s GLN 739 Ca 0.00 0.52 -0.14 0.00 0.05 0.00 0.00 55.36 55.79 1n5x s GLN 739 Cb 0.00 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 1n5x s GLN 739 CO 0.00 -0.05 0.32 0.34 -0.55 0.00 0.00 175.29 175.35 1n5x s ASP 740 N 0.41 6.51 0.20 6.67 -1.08 -1.26 -0.54 116.67 127.57 1n5x s ASP 740 Ca 0.02 0.60 -0.11 0.00 -0.52 0.00 0.00 52.55 52.53 1n5x s ASP 740 Cb -0.05 -2.20 0.24 0.00 -1.46 0.00 0.00 42.92 39.46 1n5x s ASP 740 CO -0.09 0.13 1.71 0.45 0.52 0.00 0.00 175.17 177.88 1n5x h HIS 741 N 6.37 0.18 -6.14 -5.34 3.86 -1.95 -3.47 115.15 108.67 1n5x h HIS 741 Ca -0.43 0.03 -0.43 0.00 -1.16 0.00 0.00 60.37 58.38 1n5x h HIS 741 Cb 1.18 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.69 1n5x h HIS 741 CO 0.62 -0.02 -0.83 0.34 0.86 0.00 0.00 177.93 178.90 1n5x n PHE 742 N -5.12 -1.90 -2.36 2.45 7.35 -1.26 -4.96 117.46 111.67 1n5x n PHE 742 Ca 0.07 0.83 -0.37 0.00 -0.76 0.00 0.00 57.45 57.22 1n5x n PHE 742 Cb 0.28 -4.31 -0.02 0.00 0.35 0.00 0.00 39.48 35.78 1n5x n PHE 742 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1n5x s TYR 743 N -3.69 3.04 0.35 -5.13 -0.85 -1.26 -4.77 117.35 105.04 1n5x s TYR 743 Ca 0.03 1.57 0.06 0.00 -0.52 0.00 0.00 57.07 58.21 1n5x s TYR 743 Cb -0.01 -3.30 0.64 0.00 0.38 0.00 0.00 41.96 39.67 1n5x s TYR 743 CO 0.82 -1.19 1.86 -0.07 -1.52 0.00 0.00 175.55 175.45 1n5x h LEU 744 N 2.32 0.37 -8.83 -3.49 -0.00 -1.86 -3.38 115.31 100.43 1n5x h LEU 744 Ca -0.49 -0.08 -0.65 0.00 -0.00 0.00 0.00 57.88 56.66 1n5x h LEU 744 Cb 1.23 -0.10 -0.16 0.00 -0.00 0.00 0.00 40.66 41.63 1n5x h LEU 744 CO 0.61 0.52 -0.32 -0.70 -0.00 0.00 0.00 178.44 178.55 1n5x s GLU 745 N -4.76 3.78 1.09 1.13 2.12 -0.24 -4.52 118.70 117.29 1n5x s GLU 745 Ca -0.06 -0.26 -0.16 0.00 0.36 0.00 0.00 54.97 54.85 1n5x s GLU 745 Cb 0.15 -3.73 0.23 0.00 0.26 0.00 0.00 34.13 31.05 1n5x s GLU 745 CO 0.76 -0.38 1.14 0.95 -0.54 0.00 0.00 175.26 177.19 1n5x s THR 746 N 1.98 1.80 0.43 -1.70 -4.23 -1.26 -4.68 115.64 107.98 1n5x s THR 746 Ca 0.12 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 1n5x s THR 746 Cb -0.16 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 70.98 1n5x s THR 746 CO 0.11 0.00 1.16 1.41 -0.54 0.00 0.00 174.62 176.76 1n5x n HIS 747 N -4.36 1.72 -3.68 3.99 -0.00 -1.26 -4.79 115.22 106.84 1n5x n HIS 747 Ca 0.11 0.52 -0.13 0.00 -0.00 0.00 0.00 57.72 58.21 1n5x n HIS 747 Cb 0.59 -2.31 -0.08 0.00 -0.00 0.00 0.00 29.99 28.19 1n5x n HIS 747 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1n5x s THR 749 N 0.38 -0.00 -0.16 0.00 2.01 -0.66 -1.25 115.64 115.95 1n5x s THR 749 Ca -0.01 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1n5x s THR 749 Cb -0.04 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.07 1n5x s THR 749 CO -0.00 0.01 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.15 1n5x s ILE 750 N 0.28 1.68 -0.14 1.82 1.01 0.05 -1.56 121.20 124.34 1n5x s ILE 750 Ca -0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 1n5x s ILE 750 Cb -0.03 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1n5x s ILE 750 CO -0.01 0.47 -0.05 0.00 0.00 0.00 0.00 174.94 175.36 1n5x s ALA 751 N 1.44 2.98 -0.31 9.38 0.00 0.54 -0.80 121.76 134.99 1n5x s ALA 751 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1n5x s ALA 751 Cb -0.13 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.57 1n5x s ALA 751 CO -0.11 0.26 -0.00 0.42 0.00 0.00 0.00 175.76 176.32 1n5x s ILE 752 N 0.24 2.41 -0.01 0.00 -1.09 0.46 -0.89 121.20 122.32 1n5x s ILE 752 Ca -0.03 -1.93 -0.30 0.00 -2.23 0.00 0.00 60.65 56.16 1n5x s ILE 752 Cb -0.14 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1n5x s ILE 752 CO 0.03 -0.33 1.11 -2.16 -1.23 0.00 0.00 174.94 172.36 1n5x s PRO 753 N 1.04 4.45 -0.10 2.79 0.04 -1.26 -1.89 135.00 140.07 1n5x s PRO 753 Ca 0.01 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1n5x s PRO 753 Cb -0.20 -3.46 -0.22 0.00 0.04 0.00 0.00 34.50 30.66 1n5x s PRO 753 CO -0.06 -0.25 0.86 0.87 0.04 0.00 0.00 177.00 178.47 1n5x h LYS 754 N 6.99 -0.02 0.00 4.56 1.79 -1.63 -3.46 116.57 124.80 1n5x h LYS 754 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1n5x h LYS 754 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1n5x h LYS 754 CO 0.81 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 180.35 1n5x n GLY 755 N 1.20 1.84 3.30 3.86 0.00 -1.26 -5.06 105.19 109.06 1n5x n GLY 755 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1n5x n GLY 755 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5x s GLU 756 N 0.00 2.18 -0.84 1.61 2.02 -1.26 -4.78 118.70 117.64 1n5x s GLU 756 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1n5x s GLU 756 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1n5x s GLU 756 CO 0.00 0.52 0.00 0.39 0.02 0.00 0.00 175.26 176.19 1n5x n GLU 757 N 2.54 -2.04 -1.18 1.61 -0.58 -1.26 -0.79 120.64 118.96 1n5x n GLU 757 Ca -0.16 0.47 -0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1n5x n GLU 757 Cb 0.51 -4.92 -0.03 0.00 -0.57 0.00 0.00 31.44 26.44 1n5x n GLU 757 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n5x n GLY 758 N -0.55 0.81 3.76 0.62 0.00 -1.26 -4.94 105.19 103.64 1n5x n GLY 758 Ca -0.10 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1n5x n GLY 758 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5x s GLU 759 N -2.12 4.29 -0.13 1.61 2.02 0.03 -4.78 118.70 119.62 1n5x s GLU 759 Ca 0.00 2.29 -0.11 0.00 0.02 0.00 0.00 54.97 57.18 1n5x s GLU 759 Cb 0.00 -3.07 0.04 0.00 0.10 0.00 0.00 34.13 31.20 1n5x s GLU 759 CO 0.00 -0.30 0.34 1.41 0.02 0.00 0.00 175.26 176.73 1n5x s MET 760 N -1.45 0.38 -0.12 1.61 1.75 -0.95 -1.50 119.30 119.02 1n5x s MET 760 Ca 0.52 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 55.51 1n5x s MET 760 Cb -0.41 0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.36 1n5x s MET 760 CO 0.52 -0.08 -0.16 -2.00 -0.65 0.00 0.00 175.02 172.65 1n5x s GLU 761 N 0.52 3.23 -0.04 4.11 2.12 -0.79 -1.02 118.70 126.84 1n5x s GLU 761 Ca -0.03 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.62 1n5x s GLU 761 Cb -0.04 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 1n5x s GLU 761 CO -0.03 0.24 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.22 1n5x s LEU 762 N 0.27 1.97 -0.39 2.70 1.02 0.58 -0.41 118.68 124.42 1n5x s LEU 762 Ca -0.11 -0.38 -0.08 0.00 0.02 0.00 0.00 54.13 53.57 1n5x s LEU 762 Cb -0.16 -1.06 0.07 0.00 0.02 0.00 0.00 46.19 45.06 1n5x s LEU 762 CO 0.06 0.19 0.21 -0.36 0.02 0.00 0.00 176.35 176.47 1n5x s PHE 763 N -0.12 3.33 0.05 0.29 0.40 0.02 -1.06 117.98 120.89 1n5x s PHE 763 Ca -0.01 -1.53 0.08 0.00 -0.60 0.00 0.00 56.93 54.87 1n5x s PHE 763 Cb -0.11 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1n5x s PHE 763 CO 0.02 -0.81 -0.22 0.08 0.70 0.00 0.00 175.22 174.98 1n5x s VAL 764 N 1.41 1.81 -0.87 -0.44 1.01 -1.13 -0.77 120.40 121.42 1n5x s VAL 764 Ca 0.02 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 1n5x s VAL 764 Cb -0.22 -1.58 0.16 0.00 0.00 0.00 0.00 36.38 34.75 1n5x s VAL 764 CO 0.02 0.22 0.97 -0.55 0.00 0.00 0.00 175.10 175.77 1n5x s SER 765 N -1.28 6.64 0.16 3.32 0.15 -0.38 -4.56 113.70 117.76 1n5x s SER 765 Ca 0.09 -2.22 -0.14 0.00 0.70 0.00 0.00 55.95 54.37 1n5x s SER 765 Cb -0.09 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1n5x s SER 765 CO 0.02 -0.90 0.41 0.28 1.20 0.00 0.00 173.24 174.25 1n5x s THR 766 N 1.80 0.06 -0.96 6.45 -1.32 -1.26 -4.48 115.64 115.92 1n5x s THR 766 Ca 0.26 -0.92 0.10 0.00 -1.21 0.00 0.00 61.69 59.93 1n5x s THR 766 Cb -0.08 -1.53 0.27 0.00 -1.51 0.00 0.00 72.50 69.64 1n5x s THR 766 CO -0.08 -0.25 1.19 0.00 -2.21 0.00 0.00 174.62 173.27 1n5x n GLN 767 N -0.26 2.53 -3.44 7.08 6.02 -0.13 -4.78 117.38 124.39 1n5x n GLN 767 Ca -0.11 -1.90 -0.28 0.00 -0.01 0.00 0.00 57.00 54.69 1n5x n GLN 767 Cb 0.63 -1.25 -0.11 0.00 1.02 0.00 0.00 30.24 30.52 1n5x n GLN 767 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1n5x s ASN 768 N -0.98 2.56 0.18 1.08 3.84 -1.26 -0.27 114.94 120.09 1n5x s ASN 768 Ca 0.21 -2.41 -0.01 0.00 0.21 0.00 0.00 52.86 50.86 1n5x s ASN 768 Cb 0.11 -0.40 0.07 0.00 -0.55 0.00 0.00 41.25 40.48 1n5x s ASN 768 CO 0.15 -0.27 1.45 0.00 -2.79 0.00 0.00 177.10 175.63 1n5x h ALA 769 N 6.66 0.62 -0.16 1.71 0.00 -1.88 -2.62 119.26 123.59 1n5x h ALA 769 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n5x h ALA 769 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1n5x h ALA 769 CO 0.29 0.76 0.10 1.98 0.00 0.00 0.00 179.25 182.38 1n5x h MET 770 N 0.28 0.20 -0.27 0.00 1.85 -1.93 0.11 114.93 115.16 1n5x h MET 770 Ca -0.03 -0.01 -0.14 0.00 -0.61 0.00 0.00 59.70 58.91 1n5x h MET 770 Cb 1.28 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.26 1n5x h MET 770 CO 0.12 0.13 -0.40 0.87 -0.40 0.00 0.00 176.91 177.24 1n5x h LYS 771 N 0.21 0.64 -0.65 0.39 1.79 -1.86 -1.81 116.57 115.27 1n5x h LYS 771 Ca 0.06 -0.33 0.03 0.00 -2.18 0.00 0.00 60.65 58.23 1n5x h LYS 771 Cb -0.02 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1n5x h LYS 771 CO -0.01 0.92 0.40 1.15 -1.08 0.00 0.00 179.45 180.83 1n5x h THR 772 N 0.52 1.07 0.50 -0.16 2.02 -1.15 0.81 112.91 116.53 1n5x h THR 772 Ca 0.04 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1n5x h THR 772 Cb 0.92 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1n5x h THR 772 CO 0.08 0.14 -0.24 -0.61 0.37 0.00 0.00 175.52 175.26 1n5x h GLN 773 N 0.78 -0.64 -0.01 6.66 4.15 -0.48 -1.13 115.11 124.44 1n5x h GLN 773 Ca 0.26 0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.59 1n5x h GLN 773 Cb 0.03 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1n5x h GLN 773 CO -0.11 -0.43 -0.66 0.66 -1.93 0.00 0.00 178.83 176.36 1n5x h SER 774 N -0.67 0.04 -0.36 -0.69 4.64 -1.23 -2.12 113.55 113.17 1n5x h SER 774 Ca -0.07 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 1n5x h SER 774 Cb 0.51 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1n5x h SER 774 CO 0.11 0.69 -0.28 -0.26 -0.87 0.00 0.00 176.83 176.23 1n5x h PHE 775 N 0.03 0.97 -0.67 4.77 -1.00 -0.82 0.15 116.94 120.36 1n5x h PHE 775 Ca -0.01 -0.27 -0.06 0.00 2.81 0.00 0.00 57.97 60.44 1n5x h PHE 775 Cb 1.17 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.49 1n5x h PHE 775 CO 0.00 1.05 0.17 0.28 -1.61 0.00 0.00 178.31 178.21 1n5x h VAL 776 N 0.62 1.26 -0.56 -0.55 2.07 -1.18 -1.76 116.25 116.14 1n5x h VAL 776 Ca 0.07 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1n5x h VAL 776 Cb 0.85 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1n5x h VAL 776 CO 0.07 0.36 0.04 0.00 0.02 0.00 0.00 177.57 178.06 1n5x h ALA 777 N 1.07 0.76 -0.65 1.67 0.00 -1.19 -1.97 119.26 118.95 1n5x h ALA 777 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1n5x h ALA 777 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1n5x h ALA 777 CO 0.00 0.55 0.20 -0.22 0.00 0.00 0.00 179.25 179.78 1n5x h LYS 778 N 0.86 1.00 -0.35 0.00 3.64 -0.40 0.79 116.57 122.10 1n5x h LYS 778 Ca 0.16 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1n5x h LYS 778 Cb 0.49 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1n5x h LYS 778 CO 0.02 0.86 -0.03 1.98 -2.27 0.00 0.00 179.45 180.02 1n5x h MET 779 N 0.97 0.64 0.00 1.90 4.05 -1.18 -2.72 114.93 118.59 1n5x h MET 779 Ca 0.21 -0.22 -0.18 0.00 -0.28 0.00 0.00 59.70 59.23 1n5x h MET 779 Cb 0.29 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1n5x h MET 779 CO -0.01 0.77 -0.87 -0.07 0.23 0.00 0.00 176.91 176.96 1n5x h LEU 780 N 0.44 0.00 -1.81 3.39 3.38 -1.09 0.47 115.31 120.09 1n5x h LEU 780 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1n5x h LEU 780 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1n5x h LEU 780 CO 0.02 0.87 -0.05 0.61 0.09 0.00 0.00 178.44 179.99 1n5x n GLY 781 N 1.10 0.47 3.09 0.83 0.00 0.27 -3.42 105.19 107.53 1n5x n GLY 781 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1n5x n GLY 781 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n5x s VAL 782 N -3.02 0.57 0.67 1.61 -7.23 -1.05 -4.95 120.40 107.00 1n5x s VAL 782 Ca 0.01 -1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.73 1n5x s VAL 782 Cb -0.00 -0.86 -0.06 0.00 0.56 0.00 0.00 36.38 36.02 1n5x s VAL 782 CO 0.05 -0.50 0.52 -2.65 -0.31 0.00 0.00 175.10 172.22 1n5x n PRO 783 N 1.11 0.39 0.25 4.82 -0.02 -1.26 -4.64 135.00 135.65 1n5x n PRO 783 Ca -0.20 0.17 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1n5x n PRO 783 Cb 0.56 -1.78 0.65 0.00 -0.02 0.00 0.00 33.50 32.90 1n5x n PRO 783 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n5x h VAL 784 N -0.14 0.82 0.00 -1.45 2.07 -1.94 -2.66 116.25 112.95 1n5x h VAL 784 Ca -0.46 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1n5x h VAL 784 Cb 1.37 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1n5x h VAL 784 CO 0.44 0.13 0.00 -0.46 0.02 0.00 0.00 177.57 177.70 1n5x n ASN 785 N -3.98 0.08 0.09 0.57 0.23 -1.26 -2.55 115.26 108.43 1n5x n ASN 785 Ca -0.02 0.52 0.12 0.00 -0.53 0.00 0.00 54.58 54.67 1n5x n ASN 785 Cb 0.22 -0.54 0.17 0.00 -2.08 0.00 0.00 39.78 37.56 1n5x n ASN 785 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1n5x h ARG 786 N 0.00 0.00 -5.18 -3.83 2.47 -1.82 -3.46 114.38 102.56 1n5x h ARG 786 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 1n5x h ARG 786 Cb 0.20 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 28.31 1n5x h ARG 786 CO 0.00 0.00 -0.62 0.42 0.56 0.00 0.00 179.97 180.33 1n5x s ILE 787 N -3.20 4.28 -0.13 2.04 -1.09 -1.06 -2.23 121.20 119.82 1n5x s ILE 787 Ca 0.06 -0.21 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1n5x s ILE 787 Cb 0.12 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1n5x s ILE 787 CO 0.71 0.44 -0.11 -0.22 -1.23 0.00 0.00 174.94 174.53 1n5x s LEU 788 N 0.76 2.83 -0.08 2.97 2.96 -0.18 -4.97 118.68 122.97 1n5x s LEU 788 Ca 0.01 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1n5x s LEU 788 Cb -0.14 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 1n5x s LEU 788 CO 0.02 0.18 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.31 1n5x s VAL 789 N 0.29 1.95 -0.04 1.68 1.01 -1.26 -0.31 120.40 123.72 1n5x s VAL 789 Ca -0.09 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.96 1n5x s VAL 789 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1n5x s VAL 789 CO 0.05 0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 175.41 1n5x s ARG 790 N 0.17 1.62 -0.25 2.72 0.52 -0.23 -1.72 118.95 121.78 1n5x s ARG 790 Ca -0.12 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1n5x s ARG 790 Cb -0.16 -1.40 0.07 0.00 0.52 0.00 0.00 34.95 33.98 1n5x s ARG 790 CO 0.06 0.18 -0.00 0.08 0.02 0.00 0.00 175.30 175.63 1n5x s VAL 791 N 0.19 1.37 0.00 3.52 1.01 0.10 -2.84 120.40 123.75 1n5x s VAL 791 Ca -0.06 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1n5x s VAL 791 Cb -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1n5x s VAL 791 CO 0.02 -0.27 0.42 1.17 0.00 0.00 0.00 175.10 176.45 1n5x n LYS 792 N 4.71 0.00 -3.50 2.72 0.00 -1.26 -1.95 118.16 118.87 1n5x n LYS 792 Ca -0.08 0.48 -0.12 0.00 0.00 0.00 0.00 58.31 58.59 1n5x n LYS 792 Cb 0.44 -1.20 -0.03 0.00 0.00 0.00 0.00 35.03 34.24 1n5x n LYS 792 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1n5x s ARG 793 N -1.81 1.17 -0.03 1.64 1.70 -1.26 -4.45 118.95 115.91 1n5x s ARG 793 Ca 0.00 -0.42 0.04 0.00 -0.47 0.00 0.00 55.73 54.88 1n5x s ARG 793 Cb 0.00 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1n5x s ARG 793 CO 0.00 -0.48 -0.13 -1.64 -1.08 0.00 0.00 175.30 171.97 1n5x s MET 794 N -3.33 2.45 -1.36 3.89 -1.94 -0.00 -4.61 119.30 114.39 1n5x s MET 794 Ca -0.01 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.16 1n5x s MET 794 Cb -0.00 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.47 1n5x s MET 794 CO -0.09 0.61 2.72 0.41 -0.01 0.00 0.00 175.02 178.66 1n5x n GLY 795 N 2.04 4.65 0.00 -0.03 0.00 -1.26 -4.37 105.19 106.23 1n5x n GLY 795 Ca -0.17 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1n5x n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5x n GLY 796 N 2.54 2.28 1.82 -0.02 0.00 -1.22 -1.08 105.19 109.50 1n5x n GLY 796 Ca 0.68 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1n5x n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5x n GLY 797 N 1.81 -0.25 2.07 -0.02 0.00 -1.26 -4.83 105.19 102.69 1n5x n GLY 797 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1n5x n GLY 797 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n5x n PHE 798 N -3.34 -0.32 0.00 1.61 3.01 -1.26 -0.66 117.46 116.49 1n5x n PHE 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1n5x n PHE 798 Cb 0.00 -2.05 0.00 0.00 -0.01 0.00 0.00 39.48 37.42 1n5x n PHE 798 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n5x n GLY 799 N 0.01 2.90 0.28 1.37 0.00 -1.26 -0.66 105.19 107.83 1n5x n GLY 799 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.10 1n5x n GLY 799 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n5x h GLY 800 N 0.00 0.00 -1.52 -0.02 0.00 -0.95 -2.07 103.07 98.50 1n5x h GLY 800 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1n5x h GLY 800 CO 0.00 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.81 1n5x n LYS 801 N -3.27 2.56 0.10 4.80 5.02 -1.23 -4.06 118.16 122.08 1n5x n LYS 801 Ca -0.01 -2.88 -0.04 0.00 -2.02 0.00 0.00 58.31 53.36 1n5x n LYS 801 Cb 0.25 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.48 1n5x n LYS 801 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1n5x h GLU 802 N 1.47 0.01 0.00 1.97 4.81 -1.70 -0.33 114.58 120.81 1n5x h GLU 802 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1n5x h GLU 802 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1n5x h GLU 802 CO 0.23 0.82 0.00 0.25 -0.73 0.00 0.00 179.01 179.58 1n5x n THR 803 N -3.58 0.00 0.45 0.32 -2.24 -1.26 -4.31 114.28 103.65 1n5x n THR 803 Ca -0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1n5x n THR 803 Cb 0.78 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 69.22 1n5x n THR 803 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n5x n ARG 804 N -1.21 0.21 0.21 -0.78 5.12 -1.26 -1.60 116.66 117.36 1n5x n ARG 804 Ca 0.00 0.03 0.10 0.00 -1.93 0.00 0.00 57.85 56.06 1n5x n ARG 804 Cb 0.00 -1.50 0.28 0.00 -1.16 0.00 0.00 32.46 30.08 1n5x n ARG 804 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1n5x h SER 805 N 0.00 0.00 0.45 0.55 4.64 -1.83 -3.04 113.55 114.32 1n5x h SER 805 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n5x h SER 805 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1n5x h SER 805 CO 0.00 0.16 0.00 0.71 -0.87 0.00 0.00 176.83 176.83 1n5x h THR 806 N 0.00 0.00 -0.59 2.95 1.35 -1.69 -2.24 112.91 112.69 1n5x h THR 806 Ca -0.00 -0.18 -0.05 0.00 -0.55 0.00 0.00 66.41 65.63 1n5x h THR 806 Cb 0.96 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 1n5x h THR 806 CO 0.02 0.00 0.18 -0.07 -0.25 0.00 0.00 175.52 175.40 1n5x h LEU 807 N 0.00 0.83 0.14 3.87 3.38 -1.76 -2.31 115.31 119.46 1n5x h LEU 807 Ca 0.00 -0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 1n5x h LEU 807 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1n5x h LEU 807 CO 0.00 0.78 -1.59 0.58 0.09 0.00 0.00 178.44 178.30 1n5x h VAL 808 N 0.87 0.95 0.21 1.22 2.07 -1.64 -3.33 116.25 116.59 1n5x h VAL 808 Ca 0.20 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.30 1n5x h VAL 808 Cb 0.25 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1n5x h VAL 808 CO -0.01 0.77 -0.39 0.28 0.02 0.00 0.00 177.57 178.24 1n5x h SER 809 N -0.14 -1.13 0.01 0.57 0.02 -1.44 -1.27 113.55 110.17 1n5x h SER 809 Ca -0.33 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1n5x h SER 809 Cb 1.90 0.41 -0.00 0.00 0.14 0.00 0.00 62.40 64.84 1n5x h SER 809 CO 0.10 -0.49 -0.03 0.58 -1.14 0.00 0.00 176.83 175.85 1n5x h VAL 810 N -0.68 1.05 -0.18 2.27 2.07 -1.61 0.10 116.25 119.26 1n5x h VAL 810 Ca 0.01 -0.20 -0.21 0.00 0.82 0.00 0.00 66.70 67.11 1n5x h VAL 810 Cb 0.67 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1n5x h VAL 810 CO -0.18 0.06 -0.71 0.00 0.02 0.00 0.00 177.57 176.77 1n5x h ALA 811 N 1.92 0.32 -0.33 1.67 0.00 -1.56 -2.47 119.26 118.81 1n5x h ALA 811 Ca 0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 1n5x h ALA 811 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n5x h ALA 811 CO 0.00 0.65 -0.30 0.28 0.00 0.00 0.00 179.25 179.89 1n5x h VAL 812 N 0.53 1.28 -0.88 0.00 2.07 -0.63 -2.70 116.25 115.91 1n5x h VAL 812 Ca -0.04 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 1n5x h VAL 812 Cb 1.33 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1n5x h VAL 812 CO 0.15 0.46 0.48 0.00 0.02 0.00 0.00 177.57 178.68 1n5x h ALA 813 N 1.07 1.13 -0.48 1.67 0.00 -0.94 -0.35 119.26 121.36 1n5x h ALA 813 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1n5x h ALA 813 Cb 0.80 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1n5x h ALA 813 CO 0.07 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.19 1n5x h LEU 814 N 1.23 0.78 -0.60 0.00 5.85 -1.24 0.15 115.31 121.48 1n5x h LEU 814 Ca 0.31 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1n5x h LEU 814 Cb 0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1n5x h LEU 814 CO -0.05 0.86 -0.30 0.00 -0.34 0.00 0.00 178.44 178.61 1n5x h ALA 815 N 1.22 0.78 0.09 1.25 0.00 -1.09 0.63 119.26 122.15 1n5x h ALA 815 Ca 0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1n5x h ALA 815 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n5x h ALA 815 CO 0.02 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.88 1n5x h ALA 816 N 0.99 -0.12 -0.05 0.00 0.00 -0.73 -0.65 119.26 118.70 1n5x h ALA 816 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n5x h ALA 816 Cb 0.84 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1n5x h ALA 816 CO 0.07 -0.43 -0.25 -0.92 0.00 0.00 0.00 179.25 177.71 1n5x h TYR 817 N -0.38 -0.68 -0.51 0.00 3.20 -0.57 0.28 116.97 118.31 1n5x h TYR 817 Ca -0.01 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1n5x h TYR 817 Cb 0.32 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1n5x h TYR 817 CO 0.01 -0.34 -0.13 -0.22 -1.64 0.00 0.00 178.16 175.84 1n5x h LYS 818 N -0.36 0.98 0.03 1.82 1.63 -0.86 -3.30 116.57 116.52 1n5x h LYS 818 Ca 0.08 -0.37 -0.28 0.00 -0.85 0.00 0.00 60.65 59.23 1n5x h LYS 818 Cb 0.47 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 1n5x h LYS 818 CO -0.26 1.04 -1.53 1.79 -3.45 0.00 0.00 179.45 177.04 1n5x h THR 819 N 0.87 1.09 0.00 1.00 1.35 -1.03 -3.48 112.91 112.71 1n5x h THR 819 Ca 0.13 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 1n5x h THR 819 Cb 0.69 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1n5x h THR 819 CO 0.05 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1n5x n GLY 820 N 1.56 1.96 3.95 5.82 0.00 0.97 -5.02 105.19 114.43 1n5x n GLY 820 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1n5x n GLY 820 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n5x s HIS 821 N -2.35 3.47 0.44 1.61 3.76 -1.25 -4.70 115.29 116.26 1n5x s HIS 821 Ca 0.00 0.10 -0.24 0.00 -0.15 0.00 0.00 55.06 54.78 1n5x s HIS 821 Cb 0.00 -1.66 -0.08 0.00 1.11 0.00 0.00 32.58 31.95 1n5x s HIS 821 CO 0.00 0.45 1.15 -1.25 -0.85 0.00 0.00 174.74 174.24 1n5x s PRO 822 N -3.57 3.88 0.06 8.40 0.04 -1.26 -4.30 135.00 138.23 1n5x s PRO 822 Ca 0.35 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1n5x s PRO 822 Cb -0.10 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1n5x s PRO 822 CO 0.29 -0.45 -0.11 0.08 0.04 0.00 0.00 177.00 176.86 1n5x s VAL 823 N -1.53 0.81 0.08 -0.36 1.01 -0.07 -1.04 120.40 119.30 1n5x s VAL 823 Ca 0.61 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1n5x s VAL 823 Cb -0.28 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1n5x s VAL 823 CO 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 175.10 175.13 1n5x s ARG 824 N -1.65 0.74 -0.28 2.72 1.70 -0.88 -0.34 118.95 120.95 1n5x s ARG 824 Ca -0.06 -1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 53.75 1n5x s ARG 824 Cb -0.10 0.17 0.09 0.00 -0.57 0.00 0.00 34.95 34.54 1n5x s ARG 824 CO 0.01 -0.15 0.70 0.00 -1.08 0.00 0.00 175.30 174.79 1n5x s MET 826 N 1.85 2.72 0.48 0.00 0.00 -1.26 -1.66 119.30 121.42 1n5x s MET 826 Ca -0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 55.69 54.64 1n5x s MET 826 Cb -0.06 -2.23 -0.08 0.00 0.00 0.00 0.00 34.83 32.46 1n5x s MET 826 CO -0.20 -0.04 1.10 -0.51 0.00 0.00 0.00 175.02 175.37 1n5x s LEU 827 N 0.90 3.91 0.51 4.11 1.43 -0.73 -5.02 118.68 123.78 1n5x s LEU 827 Ca -0.06 2.11 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 1n5x s LEU 827 Cb -0.15 -4.42 -0.06 0.00 0.03 0.00 0.00 46.19 41.58 1n5x s LEU 827 CO -0.02 -0.89 0.92 -1.81 0.23 0.00 0.00 176.35 174.78 1n5x s ASP 828 N -1.69 6.49 0.21 2.29 1.01 -1.26 -4.73 116.67 118.99 1n5x s ASP 828 Ca 0.66 1.38 -0.19 0.00 0.71 0.00 0.00 52.55 55.11 1n5x s ASP 828 Cb -0.23 -2.43 0.19 0.00 1.01 0.00 0.00 42.92 41.46 1n5x s ASP 828 CO 0.27 -0.60 1.57 -0.09 0.21 0.00 0.00 175.17 176.54 1n5x h ARG 829 N 0.70 -0.08 -0.41 8.23 9.65 -1.83 0.69 114.38 131.33 1n5x h ARG 829 Ca -0.46 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.40 1n5x h ARG 829 Cb 1.19 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 1n5x h ARG 829 CO 0.62 -0.06 0.14 -2.95 2.80 0.00 0.00 179.97 180.52 1n5x h ASN 830 N -0.09 0.53 -0.33 -3.80 7.08 -1.86 0.33 115.58 117.44 1n5x h ASN 830 Ca 0.29 -0.06 -0.12 0.00 -3.08 0.00 0.00 56.30 53.33 1n5x h ASN 830 Cb 0.57 -0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 36.67 1n5x h ASN 830 CO -0.82 0.51 -0.25 -0.33 -2.08 0.00 0.00 177.43 174.46 1n5x h GLU 831 N 0.58 0.75 -0.69 4.14 5.08 -1.40 -1.39 114.58 121.65 1n5x h GLU 831 Ca 0.14 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1n5x h GLU 831 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1n5x h GLU 831 CO -0.01 0.99 0.46 0.22 -1.00 0.00 0.00 179.01 179.67 1n5x h ASP 832 N 0.52 0.80 0.36 1.42 3.58 -0.27 -0.21 116.42 122.63 1n5x h ASP 832 Ca 0.06 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 1n5x h ASP 832 Cb 0.82 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1n5x h ASP 832 CO 0.07 0.58 -0.52 0.24 -2.88 0.00 0.00 179.24 176.72 1n5x h MET 833 N 0.94 0.18 0.19 0.28 2.86 -0.84 -2.32 114.93 116.22 1n5x h MET 833 Ca 0.25 -0.11 -0.31 0.00 -2.06 0.00 0.00 59.70 57.48 1n5x h MET 833 Cb -0.11 0.01 0.02 0.00 0.06 0.00 0.00 31.60 31.58 1n5x h MET 833 CO -0.05 0.66 -1.42 1.25 1.06 0.00 0.00 176.91 178.41 1n5x h LEU 834 N 0.14 0.61 0.00 1.22 5.85 -0.98 -3.43 115.31 118.73 1n5x h LEU 834 Ca 0.00 -0.69 -0.41 0.00 0.84 0.00 0.00 57.88 57.62 1n5x h LEU 834 Cb 0.97 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1n5x h LEU 834 CO 0.08 1.55 -2.28 -0.38 -0.34 0.00 0.00 178.44 177.07 1n5x n ILE 835 N -3.60 1.53 0.12 4.05 5.41 -0.11 -4.64 119.36 122.11 1n5x n ILE 835 Ca -0.14 -0.34 0.07 0.00 1.00 0.00 0.00 62.75 63.34 1n5x n ILE 835 Cb 1.07 -1.87 0.36 0.00 -0.71 0.00 0.00 39.64 38.48 1n5x n ILE 835 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1n5x n THR 836 N -4.19 1.08 -0.03 1.39 -2.24 -0.87 -4.74 114.28 104.68 1n5x n THR 836 Ca -0.49 0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1n5x n THR 836 Cb 0.86 -1.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1n5x n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5x n GLY 837 N -1.32 -2.26 0.00 3.38 0.00 -1.26 -4.78 105.19 98.94 1n5x n GLY 837 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1n5x n GLY 837 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5x n GLY 838 N -2.31 5.10 3.80 -0.02 0.00 -1.26 -4.78 105.19 105.72 1n5x n GLY 838 Ca -0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1n5x n GLY 838 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n5x s ARG 839 N 1.79 3.25 -0.10 1.61 3.52 0.30 -1.23 118.95 128.09 1n5x s ARG 839 Ca 0.00 1.25 -0.30 0.00 -0.13 0.00 0.00 55.73 56.55 1n5x s ARG 839 Cb 0.00 -2.02 -0.02 0.00 -1.56 0.00 0.00 34.95 31.35 1n5x s ARG 839 CO 0.00 -0.87 1.06 -1.01 -0.81 0.00 0.00 175.30 173.67 1n5x s HIS 840 N -2.41 3.42 0.15 5.12 3.76 -1.26 -3.95 115.29 120.11 1n5x s HIS 840 Ca 0.64 1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 56.75 1n5x s HIS 840 Cb -0.17 -3.25 -0.07 0.00 1.11 0.00 0.00 32.58 30.20 1n5x s HIS 840 CO 0.37 -0.51 1.03 -2.14 -0.85 0.00 0.00 174.74 172.64 1n5x s PRO 841 N 2.12 4.65 0.12 8.40 0.02 -1.26 -4.67 135.00 144.37 1n5x s PRO 841 Ca 0.50 1.59 0.07 0.00 0.02 0.00 0.00 61.00 63.18 1n5x s PRO 841 Cb -0.20 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1n5x s PRO 841 CO 0.18 0.15 -0.10 -0.06 -0.33 0.00 0.00 177.00 176.83 1n5x s PHE 842 N -0.13 2.71 -0.12 6.54 2.99 -0.57 -1.87 117.98 127.53 1n5x s PHE 842 Ca 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 56.93 57.23 1n5x s PHE 842 Cb -0.26 -1.40 0.03 0.00 0.00 0.00 0.00 43.02 41.38 1n5x s PHE 842 CO 0.32 0.44 -0.03 -1.17 -0.00 0.00 0.00 175.22 174.78 1n5x s LEU 843 N -2.30 1.04 -0.00 -0.37 2.96 -0.06 -1.52 118.68 118.42 1n5x s LEU 843 Ca 0.22 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1n5x s LEU 843 Cb -0.11 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 1n5x s LEU 843 CO 0.14 -0.19 -0.23 0.00 -1.32 0.00 0.00 176.35 174.75 1n5x s ALA 844 N 1.81 2.33 -0.34 5.97 0.00 0.24 -1.52 121.76 130.25 1n5x s ALA 844 Ca 0.03 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1n5x s ALA 844 Cb -0.14 -0.63 0.10 0.00 0.00 0.00 0.00 23.12 22.46 1n5x s ALA 844 CO -0.07 0.54 0.07 1.03 0.00 0.00 0.00 175.76 177.33 1n5x s ARG 845 N -0.89 1.29 0.49 0.00 0.52 -0.82 -0.35 118.95 119.19 1n5x s ARG 845 Ca 0.11 -1.69 0.07 0.00 -0.52 0.00 0.00 55.73 53.70 1n5x s ARG 845 Cb -0.10 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1n5x s ARG 845 CO 0.01 -0.96 0.46 1.52 0.02 0.00 0.00 175.30 176.35 1n5x s TYR 846 N 1.05 2.08 -0.30 -0.53 -0.85 -1.05 -2.05 117.35 115.71 1n5x s TYR 846 Ca 0.11 -0.66 -0.11 0.00 -0.52 0.00 0.00 57.07 55.88 1n5x s TYR 846 Cb -0.19 -2.09 0.17 0.00 0.38 0.00 0.00 41.96 40.24 1n5x s TYR 846 CO -0.12 -0.44 0.94 0.21 -1.52 0.00 0.00 175.55 174.61 1n5x s LYS 847 N -4.28 0.30 -0.10 -3.49 2.20 -0.60 -2.05 119.74 111.73 1n5x s LYS 847 Ca 0.45 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.72 1n5x s LYS 847 Cb -0.03 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 1n5x s LYS 847 CO 0.27 -0.24 -0.16 0.54 -0.36 0.00 0.00 175.35 175.40 1n5x s VAL 848 N 2.75 1.52 0.05 4.02 0.11 0.13 -2.05 120.40 126.94 1n5x s VAL 848 Ca 0.02 -0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 58.32 1n5x s VAL 848 Cb -0.10 -1.37 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 1n5x s VAL 848 CO -0.15 0.44 0.32 -0.83 -3.33 0.00 0.00 175.10 171.55 1n5x s GLY 849 N 0.77 2.28 0.17 6.54 0.00 -0.60 -1.37 107.32 115.11 1n5x s GLY 849 Ca -0.11 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 43.85 1n5x s GLY 849 CO 0.02 -0.34 0.76 -0.11 0.00 0.00 0.00 173.10 173.42 1n5x s PHE 850 N -1.39 -0.32 0.38 1.90 -0.12 0.38 -0.61 117.98 118.21 1n5x s PHE 850 Ca 0.31 0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 57.19 1n5x s PHE 850 Cb -0.13 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1n5x s PHE 850 CO 0.18 -0.92 0.62 -1.64 -0.05 0.00 0.00 175.22 173.42 1n5x s MET 851 N -3.61 3.53 0.35 1.99 -1.94 -0.40 -0.67 119.30 118.55 1n5x s MET 851 Ca 0.07 -0.12 0.14 0.00 -1.71 0.00 0.00 55.69 54.08 1n5x s MET 851 Cb -0.03 -2.57 1.01 0.00 2.01 0.00 0.00 34.83 35.25 1n5x s MET 851 CO -0.03 0.05 1.73 0.87 -0.01 0.00 0.00 175.02 177.63 1n5x h LYS 852 N 0.75 0.45 0.00 2.03 1.57 -1.96 0.66 116.57 120.07 1n5x h LYS 852 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1n5x h LYS 852 Cb 1.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1n5x h LYS 852 CO 0.62 0.30 0.00 1.79 -0.57 0.00 0.00 179.45 181.59 1n5x h THR 853 N 0.47 0.00 0.00 -0.16 1.35 -1.94 -3.45 112.91 109.17 1n5x h THR 853 Ca 0.65 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.45 1n5x h THR 853 Cb 1.43 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1n5x h THR 853 CO -0.42 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.46 1n5x n GLY 854 N -0.96 0.67 3.67 5.82 0.00 0.23 -4.84 105.19 109.79 1n5x n GLY 854 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1n5x n GLY 854 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n5x s THR 855 N -2.00 3.90 0.17 2.61 2.01 -1.23 -4.78 115.64 116.32 1n5x s THR 855 Ca 0.00 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.85 1n5x s THR 855 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1n5x s THR 855 CO 0.00 -0.07 1.26 -0.63 -0.69 0.00 0.00 174.62 174.49 1n5x s ILE 856 N 3.33 3.46 -0.07 1.82 1.09 -1.26 -1.28 121.20 128.29 1n5x s ILE 856 Ca 0.63 1.18 0.02 0.00 -1.10 0.00 0.00 60.65 61.39 1n5x s ILE 856 Cb -0.28 -3.75 -0.06 0.00 -1.06 0.00 0.00 42.46 37.30 1n5x s ILE 856 CO 0.23 0.17 -0.04 0.52 -0.10 0.00 0.00 174.94 175.72 1n5x n VAL 857 N 2.82 0.44 -3.89 2.92 0.31 0.22 -4.65 118.33 116.50 1n5x n VAL 857 Ca 0.06 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1n5x n VAL 857 Cb 0.44 -0.80 -0.09 0.00 -0.91 0.00 0.00 33.84 32.48 1n5x n VAL 857 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n5x s ALA 858 N -2.15 -0.21 -0.10 3.52 0.00 -1.01 -3.23 121.76 118.58 1n5x s ALA 858 Ca -0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1n5x s ALA 858 Cb 0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1n5x s ALA 858 CO 0.21 -0.30 0.38 -1.17 0.00 0.00 0.00 175.76 174.88 1n5x s LEU 859 N -1.90 0.55 -0.24 0.00 2.96 -0.22 -1.55 118.68 118.28 1n5x s LEU 859 Ca -0.08 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1n5x s LEU 859 Cb -0.03 1.39 0.12 0.00 0.50 0.00 0.00 46.19 48.17 1n5x s LEU 859 CO -0.03 -0.27 0.32 -1.61 -1.32 0.00 0.00 176.35 173.44 1n5x s GLU 860 N -0.40 0.30 -0.05 1.98 2.02 -0.87 -1.93 118.70 119.76 1n5x s GLU 860 Ca -0.05 0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.27 1n5x s GLU 860 Cb -0.03 -0.71 -0.00 0.00 0.10 0.00 0.00 34.13 33.48 1n5x s GLU 860 CO 0.02 -0.75 -0.19 0.08 0.02 0.00 0.00 175.26 174.44 1n5x s VAL 861 N 2.45 1.62 -0.23 2.63 1.01 -0.76 -1.56 120.40 125.56 1n5x s VAL 861 Ca 0.10 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1n5x s VAL 861 Cb -0.15 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.88 1n5x s VAL 861 CO -0.19 0.46 -0.15 -1.81 0.00 0.00 0.00 175.10 173.42 1n5x s ASP 862 N 0.01 3.92 0.03 3.32 1.11 -0.87 -1.67 116.67 122.52 1n5x s ASP 862 Ca -0.05 -1.09 -0.09 0.00 0.18 0.00 0.00 52.55 51.50 1n5x s ASP 862 Cb -0.13 -1.52 -0.05 0.00 1.07 0.00 0.00 42.92 42.29 1n5x s ASP 862 CO 0.03 -0.11 0.34 -1.00 1.18 0.00 0.00 175.17 175.60 1n5x s HIS 863 N 1.18 3.60 -0.06 4.23 3.76 0.16 -1.95 115.29 126.21 1n5x s HIS 863 Ca -0.03 0.71 -0.01 0.00 -0.15 0.00 0.00 55.06 55.58 1n5x s HIS 863 Cb -0.17 -2.10 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1n5x s HIS 863 CO -0.08 0.58 -0.01 0.71 -0.85 0.00 0.00 174.74 175.09 1n5x s TYR 864 N -1.31 0.62 -0.04 1.40 1.51 -0.58 -1.91 117.35 117.05 1n5x s TYR 864 Ca 0.29 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1n5x s TYR 864 Cb -0.14 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1n5x s TYR 864 CO 0.16 -0.27 -0.20 -1.54 -1.11 0.00 0.00 175.55 172.59 1n5x s SER 865 N 1.65 3.58 -0.59 2.29 1.04 -1.02 -0.88 113.70 119.77 1n5x s SER 865 Ca -0.00 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.83 1n5x s SER 865 Cb -0.13 -0.65 0.03 0.00 0.10 0.00 0.00 66.02 65.38 1n5x s SER 865 CO -0.04 0.33 1.16 0.21 0.98 0.00 0.00 173.24 175.88 1n5x s ASN 866 N -0.64 6.40 0.31 7.02 3.04 -0.78 -0.16 114.94 130.13 1n5x s ASN 866 Ca 0.10 -0.05 0.19 0.00 0.04 0.00 0.00 52.86 53.14 1n5x s ASN 866 Cb -0.11 -2.53 0.14 0.00 -1.54 0.00 0.00 41.25 37.22 1n5x s ASN 866 CO 0.00 -1.48 1.41 0.00 -3.04 0.00 0.00 177.10 173.99 1n5x h ALA 867 N 9.56 0.78 0.00 1.71 0.00 -1.52 -3.39 119.26 126.39 1n5x h ALA 867 Ca -0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n5x h ALA 867 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1n5x h ALA 867 CO 1.18 0.35 0.00 0.41 0.00 0.00 0.00 179.25 181.19 1n5x n GLY 868 N 1.19 -3.31 0.67 0.00 0.00 -1.24 -1.38 105.19 101.12 1n5x n GLY 868 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1n5x n GLY 868 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n5x n ASN 869 N -0.19 1.50 -3.57 1.61 6.94 0.65 -3.18 115.26 119.03 1n5x n ASN 869 Ca 0.00 -1.78 -0.16 0.00 -0.02 0.00 0.00 54.58 52.62 1n5x n ASN 869 Cb 0.00 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 36.91 1n5x n ASN 869 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1n5x s SER 870 N 0.27 -0.67 0.05 0.53 0.15 -1.26 -4.87 113.70 107.90 1n5x s SER 870 Ca 0.00 1.00 -0.30 0.00 0.70 0.00 0.00 55.95 57.35 1n5x s SER 870 Cb 0.00 0.91 -0.18 0.00 -1.71 0.00 0.00 66.02 65.04 1n5x s SER 870 CO 0.00 -0.44 1.48 0.03 1.20 0.00 0.00 173.24 175.51 1n5x h ARG 871 N 3.81 -0.71 0.00 5.44 3.08 -1.87 -3.43 114.38 120.70 1n5x h ARG 871 Ca -0.27 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1n5x h ARG 871 Cb 1.15 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1n5x h ARG 871 CO 0.24 -0.43 0.00 -3.47 -1.07 0.00 0.00 179.97 175.24 1n5x n ASP 872 N -5.36 0.00 -0.42 7.04 -0.08 -1.26 -0.78 116.55 115.69 1n5x n ASP 872 Ca -0.12 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.28 1n5x n ASP 872 Cb 0.32 0.00 0.19 0.00 2.34 0.00 0.00 41.12 43.98 1n5x n ASP 872 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1n5x n LEU 873 N 0.00 1.64 -0.31 -2.67 4.77 -1.26 -4.53 117.00 114.64 1n5x n LEU 873 Ca 0.00 -0.55 0.31 0.00 -0.03 0.00 0.00 56.01 55.74 1n5x n LEU 873 Cb 0.00 -0.05 0.58 0.00 -2.33 0.00 0.00 43.42 41.62 1n5x n LEU 873 CO 0.00 0.30 1.04 -1.20 -1.33 0.00 0.00 177.39 176.20 1n5x n SER 874 N -0.19 0.34 -0.04 -1.43 7.64 0.04 -1.57 113.62 118.41 1n5x n SER 874 Ca 0.11 1.63 -0.14 0.00 1.01 0.00 0.00 58.87 61.49 1n5x n SER 874 Cb 0.42 -0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 1n5x n SER 874 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1n5x h HIS 875 N 0.00 0.31 0.00 1.43 -0.00 -1.80 -2.81 115.15 112.29 1n5x h HIS 875 Ca 0.83 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 61.04 1n5x h HIS 875 Cb 2.20 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 29.55 1n5x h HIS 875 CO -0.01 0.74 -0.23 0.77 -0.00 0.00 0.00 177.93 179.19 1n5x h SER 876 N -0.20 0.00 -0.55 3.26 0.02 -1.63 -2.41 113.55 112.04 1n5x h SER 876 Ca 0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1n5x h SER 876 Cb 0.71 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1n5x h SER 876 CO 0.03 0.23 0.13 0.40 -1.14 0.00 0.00 176.83 176.48 1n5x h ILE 877 N 0.00 1.25 -0.72 3.27 2.04 -1.35 -1.25 117.51 120.74 1n5x h ILE 877 Ca -0.00 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1n5x h ILE 877 Cb 0.57 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1n5x h ILE 877 CO 0.03 0.33 0.37 -0.03 0.00 0.00 0.00 178.15 178.84 1n5x h MET 878 N 0.79 1.02 -0.26 2.37 4.05 -1.17 -1.26 114.93 120.47 1n5x h MET 878 Ca 0.17 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1n5x h MET 878 Cb 0.35 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1n5x h MET 878 CO 0.00 0.78 0.13 0.93 0.23 0.00 0.00 176.91 178.98 1n5x h GLU 879 N 0.99 0.38 -0.29 0.39 5.08 -1.23 -0.56 114.58 119.34 1n5x h GLU 879 Ca 0.25 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1n5x h GLU 879 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1n5x h GLU 879 CO -0.04 0.37 0.20 -0.09 -1.00 0.00 0.00 179.01 178.45 1n5x h ARG 880 N 0.29 0.24 0.58 2.33 2.43 -0.84 -0.99 114.38 118.42 1n5x h ARG 880 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1n5x h ARG 880 Cb 0.12 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1n5x h ARG 880 CO -0.01 0.16 -0.28 0.00 -1.51 0.00 0.00 179.97 178.33 1n5x h ALA 881 N 1.84 -0.78 -0.76 2.80 0.00 -0.19 -2.91 119.26 119.26 1n5x h ALA 881 Ca 0.12 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1n5x h ALA 881 Cb 0.17 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1n5x h ALA 881 CO -0.02 -0.86 0.50 -0.07 0.00 0.00 0.00 179.25 178.80 1n5x h LEU 882 N -0.93 0.46 0.00 0.00 3.38 -0.31 0.22 115.31 118.12 1n5x h LEU 882 Ca -0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n5x h LEU 882 Cb 0.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1n5x h LEU 882 CO 0.13 0.25 0.00 0.49 0.09 0.00 0.00 178.44 179.40 1n5x n PHE 883 N -4.49 0.00 -0.31 1.13 0.99 -0.45 -3.23 117.46 111.09 1n5x n PHE 883 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1n5x n PHE 883 Cb 0.47 -0.40 0.00 0.00 -1.00 0.00 0.00 39.48 38.55 1n5x n PHE 883 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1n5x n HIS 884 N -1.40 0.00 0.54 1.38 8.25 0.72 -4.73 115.22 119.97 1n5x n HIS 884 Ca 0.05 -0.29 0.06 0.00 -0.26 0.00 0.00 57.72 57.29 1n5x n HIS 884 Cb 0.15 -0.03 0.30 0.00 1.12 0.00 0.00 29.99 31.53 1n5x n HIS 884 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n5x n MET 885 N -0.29 0.13 -0.00 -0.41 0.00 -0.85 -1.88 117.12 113.82 1n5x n MET 885 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 57.70 58.00 1n5x n MET 885 Cb 0.28 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.87 1n5x n MET 885 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1n5x n ASP 886 N -1.34 0.68 0.00 3.17 5.75 -1.26 -4.59 116.55 118.95 1n5x n ASP 886 Ca 0.05 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 1n5x n ASP 886 Cb 0.11 1.40 0.00 0.00 -1.03 0.00 0.00 41.12 41.60 1n5x n ASP 886 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1n5x n ASN 887 N -1.79 0.00 -1.66 -1.12 5.15 -0.79 -0.96 115.26 114.10 1n5x n ASN 887 Ca 0.01 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 1n5x n ASN 887 Cb 0.40 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.89 1n5x n ASN 887 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1n5x s TYR 889 N -3.14 2.25 -0.27 0.00 1.51 -0.13 -1.49 117.35 116.07 1n5x s TYR 889 Ca 0.51 -0.46 -0.27 0.00 -1.01 0.00 0.00 57.07 55.84 1n5x s TYR 889 Cb 0.43 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1n5x s TYR 889 CO 0.08 -0.06 0.97 0.21 -1.11 0.00 0.00 175.55 175.64 1n5x s LYS 890 N -0.53 4.14 -0.34 -0.62 2.20 -0.65 -4.84 119.74 119.09 1n5x s LYS 890 Ca 0.08 1.07 0.02 0.00 -0.36 0.00 0.00 55.97 56.77 1n5x s LYS 890 Cb -0.10 -3.68 0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1n5x s LYS 890 CO -0.00 -0.70 0.10 0.42 -0.36 0.00 0.00 175.35 174.81 1n5x s ILE 891 N 3.22 1.54 0.25 5.43 1.01 -1.26 -4.81 121.20 126.58 1n5x s ILE 891 Ca 0.41 -1.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.03 1n5x s ILE 891 Cb -0.14 -2.14 0.27 0.00 0.01 0.00 0.00 42.46 40.46 1n5x s ILE 891 CO 0.10 -0.68 1.65 -0.65 0.00 0.00 0.00 174.94 175.36 1n5x h PRO 892 N 7.70 0.14 -4.97 2.79 0.11 -1.83 -3.37 132.00 132.58 1n5x h PRO 892 Ca -0.08 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 65.35 1n5x h PRO 892 Cb 1.00 -0.03 -0.35 0.00 0.11 0.00 0.00 31.00 31.73 1n5x h PRO 892 CO 0.50 0.09 -0.82 -0.80 -0.21 0.00 0.00 178.00 176.76 1n5x s ASN 893 N -5.19 3.78 0.03 -2.05 0.01 -1.20 -3.87 114.94 106.45 1n5x s ASN 893 Ca -0.13 -0.95 -0.10 0.00 -0.71 0.00 0.00 52.86 50.97 1n5x s ASN 893 Cb 0.22 -1.53 0.01 0.00 0.41 0.00 0.00 41.25 40.36 1n5x s ASN 893 CO 0.75 -0.09 0.20 -0.51 -1.51 0.00 0.00 177.10 175.95 1n5x s ILE 894 N 1.23 0.10 -0.25 0.60 2.07 0.05 -1.05 121.20 123.94 1n5x s ILE 894 Ca -0.01 -0.81 -0.11 0.00 -1.41 0.00 0.00 60.65 58.32 1n5x s ILE 894 Cb -0.16 -0.80 0.10 0.00 0.13 0.00 0.00 42.46 41.72 1n5x s ILE 894 CO -0.09 -0.45 0.57 -0.60 -1.91 0.00 0.00 174.94 172.47 1n5x s ARG 895 N -2.24 0.53 -0.01 3.50 3.52 -0.81 -0.73 118.95 122.70 1n5x s ARG 895 Ca -0.08 1.21 0.03 0.00 -0.13 0.00 0.00 55.73 56.76 1n5x s ARG 895 Cb -0.03 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1n5x s ARG 895 CO -0.02 -0.19 -0.11 0.20 -0.81 0.00 0.00 175.30 174.37 1n5x s GLY 896 N 2.29 0.55 0.15 8.12 0.00 -0.76 -1.84 107.32 115.82 1n5x s GLY 896 Ca -0.07 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.25 1n5x s GLY 896 CO -0.17 -0.35 -0.11 -0.51 0.00 0.00 0.00 173.10 171.96 1n5x s THR 897 N -0.18 1.23 -0.01 0.90 -4.23 -0.67 -2.03 115.64 110.65 1n5x s THR 897 Ca 0.03 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1n5x s THR 897 Cb -0.05 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1n5x s THR 897 CO -0.00 -0.68 0.12 -0.83 -0.54 0.00 0.00 174.62 172.69 1n5x s GLY 898 N -3.05 0.03 0.08 3.99 0.00 -0.88 0.41 107.32 107.90 1n5x s GLY 898 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1n5x s GLY 898 CO 0.01 -0.18 -0.08 0.50 0.00 0.00 0.00 173.10 173.35 1n5x s ARG 899 N -1.08 0.73 -0.26 2.90 1.81 -0.80 -1.22 118.95 121.03 1n5x s ARG 899 Ca -0.12 -1.09 -0.04 0.00 -1.72 0.00 0.00 55.73 52.76 1n5x s ARG 899 Cb -0.06 -0.31 0.01 0.00 -0.45 0.00 0.00 34.95 34.13 1n5x s ARG 899 CO 0.01 0.03 -0.00 -0.51 -0.68 0.00 0.00 175.30 174.15 1n5x s LEU 900 N -2.38 3.33 -0.36 2.53 1.43 -1.26 -2.43 118.68 119.53 1n5x s LEU 900 Ca 0.03 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 1n5x s LEU 900 Cb -0.02 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1n5x s LEU 900 CO -0.02 -0.11 0.99 0.00 0.23 0.00 0.00 176.35 177.45 1n5x s LYS 902 N 3.63 3.27 0.46 0.00 2.20 -0.08 -1.26 119.74 127.95 1n5x s LYS 902 Ca 0.41 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 1n5x s LYS 902 Cb -0.12 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.02 1n5x s LYS 902 CO 0.19 -2.02 0.03 0.95 -0.36 0.00 0.00 175.35 174.13 1n5x s THR 903 N 5.65 1.63 -0.94 3.43 -4.23 -1.19 -4.73 115.64 115.26 1n5x s THR 903 Ca 0.39 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1n5x s THR 903 Cb -0.08 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.45 1n5x s THR 903 CO 0.19 0.00 2.04 0.59 -0.54 0.00 0.00 174.62 176.90 1n5x n ASN 904 N -1.14 7.42 -4.28 3.99 4.13 -0.02 -2.28 115.26 123.08 1n5x n ASN 904 Ca -0.11 -3.65 -0.17 0.00 1.68 0.00 0.00 54.58 52.33 1n5x n ASN 904 Cb 0.67 -1.15 -0.10 0.00 -1.54 0.00 0.00 39.78 37.65 1n5x n ASN 904 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n5x s LEU 905 N -3.84 2.51 0.22 3.41 1.43 -1.26 -4.26 118.68 116.89 1n5x s LEU 905 Ca 0.47 -0.97 -0.32 0.00 -1.03 0.00 0.00 54.13 52.29 1n5x s LEU 905 Cb 0.30 -0.51 -0.14 0.00 0.03 0.00 0.00 46.19 45.87 1n5x s LEU 905 CO -0.25 -0.23 1.38 -1.20 0.23 0.00 0.00 176.35 176.29 1n5x n SER 906 N -0.09 2.54 -4.66 2.29 7.64 -1.26 -0.25 113.62 119.83 1n5x n SER 906 Ca -0.11 1.14 -0.49 0.00 1.01 0.00 0.00 58.87 60.42 1n5x n SER 906 Cb 0.60 -1.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.36 1n5x n SER 906 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1n5x n SER 907 N 2.26 2.85 -4.87 6.43 2.88 -1.26 -4.45 113.62 117.46 1n5x n SER 907 Ca 0.13 1.06 -0.30 0.00 -1.33 0.00 0.00 58.87 58.42 1n5x n SER 907 Cb 0.30 -1.34 -0.01 0.00 -0.75 0.00 0.00 64.21 62.40 1n5x n SER 907 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1n5x s ASN 908 N 1.88 6.41 0.00 -3.46 0.01 -0.48 -4.09 114.94 115.22 1n5x s ASN 908 Ca 0.85 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 54.30 1n5x s ASN 908 Cb -0.77 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 38.49 1n5x s ASN 908 CO 0.46 -0.63 0.00 1.07 -1.51 0.00 0.00 177.10 176.48 1n5x n THR 909 N -2.02 0.00 -2.44 1.60 5.66 -0.37 -4.50 114.28 112.22 1n5x n THR 909 Ca 0.04 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.71 1n5x n THR 909 Cb 0.54 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.30 1n5x n THR 909 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n5x s ALA 910 N -2.00 2.85 -0.23 1.79 0.00 -1.26 -4.39 121.76 118.52 1n5x s ALA 910 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1n5x s ALA 910 Cb 0.00 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1n5x s ALA 910 CO 0.00 -0.42 0.54 0.12 0.00 0.00 0.00 175.76 176.00 1n5x s PHE 911 N -2.08 -0.86 -0.09 0.00 5.99 -1.26 -3.63 117.98 116.05 1n5x s PHE 911 Ca 0.67 1.73 -0.03 0.00 0.00 0.00 0.00 56.93 59.29 1n5x s PHE 911 Cb -0.16 0.46 -0.02 0.00 0.00 0.00 0.00 43.02 43.30 1n5x s PHE 911 CO 0.24 -0.45 0.24 -2.13 -0.00 0.00 0.00 175.22 173.11 1n5x n ARG 912 N 4.46 0.00 0.00 10.12 0.63 0.16 0.59 116.66 132.62 1n5x n ARG 912 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1n5x n ARG 912 Cb 0.56 -0.13 0.00 0.00 0.45 0.00 0.00 32.46 33.34 1n5x n ARG 912 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n5x n GLY 913 N 0.58 4.21 3.58 5.14 0.00 -1.26 -4.93 105.19 112.51 1n5x n GLY 913 Ca 0.06 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 1n5x n GLY 913 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n5x n PHE 914 N 0.00 -2.09 0.00 1.61 7.35 0.20 -1.76 117.46 122.76 1n5x n PHE 914 Ca 0.00 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 1n5x n PHE 914 Cb 0.00 -3.51 0.00 0.00 0.35 0.00 0.00 39.48 36.32 1n5x n PHE 914 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1n5x n GLY 915 N -1.65 2.59 0.12 7.13 0.00 -1.26 -4.49 105.19 107.63 1n5x n GLY 915 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1n5x n GLY 915 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n5x h GLY 916 N 0.00 0.02 0.34 -0.02 0.00 -1.56 -2.81 103.07 99.03 1n5x h GLY 916 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 47.33 47.56 1n5x h GLY 916 CO 0.00 -0.09 0.56 -2.55 0.00 0.00 0.00 176.54 174.46 1n5x h PRO 917 N -0.08 0.80 0.77 4.80 0.11 -1.88 -0.52 132.00 136.00 1n5x h PRO 917 Ca 0.07 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1n5x h PRO 917 Cb 0.17 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.11 1n5x h PRO 917 CO -0.15 0.53 -0.37 1.96 -0.21 0.00 0.00 178.00 179.75 1n5x h GLN 918 N 0.82 -1.00 -0.47 1.05 7.50 -1.90 -1.30 115.11 119.82 1n5x h GLN 918 Ca 0.49 0.07 0.08 0.00 0.50 0.00 0.00 58.65 59.79 1n5x h GLN 918 Cb 0.61 0.23 -0.07 0.00 0.05 0.00 0.00 27.48 28.30 1n5x h GLN 918 CO -0.31 -0.65 0.08 0.00 -1.50 0.00 0.00 178.83 176.44 1n5x h ALA 919 N -0.97 0.51 -0.53 3.87 0.00 -1.25 -1.18 119.26 119.72 1n5x h ALA 919 Ca -0.11 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n5x h ALA 919 Cb 0.81 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1n5x h ALA 919 CO 0.17 -0.32 0.32 -0.07 0.00 0.00 0.00 179.25 179.35 1n5x h LEU 920 N 0.21 0.62 0.22 0.00 3.38 -1.07 -1.16 115.31 117.52 1n5x h LEU 920 Ca 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1n5x h LEU 920 Cb 0.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n5x h LEU 920 CO -0.32 0.48 -0.11 0.15 0.09 0.00 0.00 178.44 178.74 1n5x h PHE 921 N 0.73 -0.27 -1.00 1.13 3.57 -0.04 -1.03 116.94 120.02 1n5x h PHE 921 Ca 0.19 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1n5x h PHE 921 Cb -0.03 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1n5x h PHE 921 CO 0.00 -0.02 0.65 0.82 -2.23 0.00 0.00 178.31 177.53 1n5x h ILE 922 N -0.50 1.06 -0.08 1.41 2.04 -1.16 0.67 117.51 120.95 1n5x h ILE 922 Ca -0.03 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1n5x h ILE 922 Cb 0.38 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1n5x h ILE 922 CO 0.05 0.21 0.02 0.00 0.00 0.00 0.00 178.15 178.43 1n5x h ALA 923 N 1.47 0.08 0.00 1.87 0.00 -0.99 -2.35 119.26 119.35 1n5x h ALA 923 Ca 0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1n5x h ALA 923 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n5x h ALA 923 CO -0.19 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.01 1n5x n GLU 924 N -5.07 0.20 0.02 0.00 -0.58 -0.41 -2.09 120.64 112.70 1n5x n GLU 924 Ca -0.05 0.33 -0.05 0.00 -0.42 0.00 0.00 57.16 56.96 1n5x n GLU 924 Cb 0.04 -1.81 -0.03 0.00 -0.57 0.00 0.00 31.44 29.07 1n5x n GLU 924 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1n5x h ASN 925 N 0.00 -0.14 0.18 1.62 -1.24 -0.37 -2.50 115.58 113.12 1n5x h ASN 925 Ca 0.00 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1n5x h ASN 925 Cb 0.48 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 1n5x h ASN 925 CO 0.00 0.39 -0.05 4.11 -1.29 0.00 0.00 177.43 180.59 1n5x h TRP 926 N -1.02 0.00 -0.25 0.67 -0.00 -1.52 -0.58 115.95 113.24 1n5x h TRP 926 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.71 1n5x h TRP 926 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.43 1n5x h TRP 926 CO 0.04 0.05 -0.46 1.98 -0.00 0.00 0.00 178.44 180.05 1n5x h MET 927 N 0.00 0.76 -0.20 0.12 4.05 -1.49 -1.61 114.93 116.56 1n5x h MET 927 Ca -0.00 -0.48 -0.04 0.00 -0.28 0.00 0.00 59.70 58.91 1n5x h MET 927 Cb 0.15 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1n5x h MET 927 CO 0.01 1.10 -0.05 0.66 0.23 0.00 0.00 176.91 178.86 1n5x h SER 928 N 0.50 0.27 -0.30 1.39 4.64 -0.66 -2.04 113.55 117.35 1n5x h SER 928 Ca 0.02 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.11 1n5x h SER 928 Cb 1.06 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1n5x h SER 928 CO 0.10 0.37 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.58 1n5x h GLU 929 N 0.29 0.89 -0.59 4.77 5.08 -1.08 -2.72 114.58 121.23 1n5x h GLU 929 Ca 0.06 -0.55 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1n5x h GLU 929 Cb 0.27 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1n5x h GLU 929 CO 0.01 1.19 0.30 0.28 -1.00 0.00 0.00 179.01 179.79 1n5x h VAL 930 N 0.69 0.94 -0.45 3.13 2.07 -0.60 -0.49 116.25 121.55 1n5x h VAL 930 Ca 0.02 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1n5x h VAL 930 Cb 1.12 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1n5x h VAL 930 CO 0.12 0.10 0.24 0.00 0.02 0.00 0.00 177.57 178.05 1n5x h ALA 931 N 1.32 0.56 0.53 1.67 0.00 -1.29 -0.88 119.26 121.18 1n5x h ALA 931 Ca 0.26 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1n5x h ALA 931 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1n5x h ALA 931 CO -0.18 -0.11 -0.26 0.28 0.00 0.00 0.00 179.25 178.98 1n5x h VAL 932 N 0.47 0.47 -0.66 0.00 2.07 -1.11 -0.44 116.25 117.06 1n5x h VAL 932 Ca 0.19 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1n5x h VAL 932 Cb 0.08 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 1n5x h VAL 932 CO -0.12 0.01 0.07 0.74 0.02 0.00 0.00 177.57 178.30 1n5x h THR 933 N -0.76 0.51 0.00 2.57 2.02 -0.96 -0.13 112.91 116.17 1n5x h THR 933 Ca -0.07 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1n5x h THR 933 Cb 0.57 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1n5x h THR 933 CO 0.12 0.03 -0.16 0.00 0.37 0.00 0.00 175.52 175.88 1n5x n GLY 935 N 0.37 0.37 3.59 0.00 0.00 -0.06 -5.01 105.19 104.45 1n5x n GLY 935 Ca 0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1n5x n GLY 935 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5x s LEU 936 N -0.87 3.07 0.44 0.99 1.43 -0.83 -5.04 118.68 117.85 1n5x s LEU 936 Ca 0.00 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 1n5x s LEU 936 Cb 0.00 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1n5x s LEU 936 CO 0.00 0.13 1.40 -2.65 0.23 0.00 0.00 176.35 175.46 1n5x n PRO 937 N 0.27 2.23 -0.10 1.29 -0.02 -1.26 -4.57 135.00 132.83 1n5x n PRO 937 Ca -0.12 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1n5x n PRO 937 Cb 0.54 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1n5x n PRO 937 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n5x h ALA 938 N 2.32 0.41 -0.91 3.55 0.00 -1.98 -2.12 119.26 120.54 1n5x h ALA 938 Ca -0.50 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.36 1n5x h ALA 938 Cb 1.27 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1n5x h ALA 938 CO 0.61 0.05 0.58 1.05 0.00 0.00 0.00 179.25 181.54 1n5x h GLU 939 N 0.36 0.84 -0.03 0.00 9.09 -1.91 0.13 114.58 123.06 1n5x h GLU 939 Ca 0.10 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 1n5x h GLU 939 Cb 0.24 -0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1n5x h GLU 939 CO -0.00 0.56 -0.00 1.49 0.05 0.00 0.00 179.01 181.10 1n5x h GLU 940 N 0.87 0.05 -0.27 1.06 4.81 -1.90 0.26 114.58 119.47 1n5x h GLU 940 Ca 0.43 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.68 1n5x h GLU 940 Cb 0.47 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1n5x h GLU 940 CO -0.20 0.35 0.07 0.28 -0.73 0.00 0.00 179.01 178.79 1n5x h VAL 941 N -0.25 0.90 0.30 0.32 2.07 -0.63 -2.46 116.25 116.50 1n5x h VAL 941 Ca 0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1n5x h VAL 941 Cb 0.33 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1n5x h VAL 941 CO 0.00 0.03 -0.15 0.03 0.02 0.00 0.00 177.57 177.51 1n5x h ARG 942 N 0.18 -0.39 -0.76 1.57 3.08 -0.68 -2.94 114.38 114.44 1n5x h ARG 942 Ca 0.12 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.30 1n5x h ARG 942 Cb 0.11 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 1n5x h ARG 942 CO -0.14 -0.17 0.39 2.35 -1.07 0.00 0.00 179.97 181.32 1n5x h TRP 943 N -0.54 0.69 0.00 3.04 2.91 -0.41 -1.39 115.95 120.25 1n5x h TRP 943 Ca -0.04 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1n5x h TRP 943 Cb 0.40 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 1n5x h TRP 943 CO -0.02 0.24 -0.20 1.57 -1.03 0.00 0.00 178.44 179.00 1n5x h LYS 944 N 0.63 0.00 -0.01 2.65 2.10 -1.46 -2.50 116.57 117.99 1n5x h LYS 944 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1n5x h LYS 944 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1n5x h LYS 944 CO -0.29 0.20 -0.30 0.09 -2.00 0.00 0.00 179.45 177.15 1n5x n ASN 945 N -3.52 0.94 -4.77 7.07 3.02 -0.61 -4.96 115.26 112.43 1n5x n ASN 945 Ca -0.01 -0.78 -0.39 0.00 -0.03 0.00 0.00 54.58 53.37 1n5x n ASN 945 Cb 0.36 0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1n5x n ASN 945 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1n5x s MET 946 N -2.59 3.87 1.09 3.52 -1.94 -0.71 -1.64 119.30 120.90 1n5x s MET 946 Ca 0.22 2.02 -0.13 0.00 -1.71 0.00 0.00 55.69 56.09 1n5x s MET 946 Cb 0.19 -2.63 0.19 0.00 2.01 0.00 0.00 34.83 34.59 1n5x s MET 946 CO 0.55 -0.53 0.75 0.66 -0.01 0.00 0.00 175.02 176.44 1n5x n TYR 947 N -0.11 -0.90 -4.17 -0.03 0.53 -0.56 -4.67 117.16 107.26 1n5x n TYR 947 Ca 0.05 0.06 -0.16 0.00 -1.02 0.00 0.00 57.90 56.84 1n5x n TYR 947 Cb 0.45 -1.74 -0.13 0.00 -1.03 0.00 0.00 39.34 36.89 1n5x n TYR 947 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 1n5x s LYS 948 N -4.15 0.56 -0.45 -0.72 2.20 -1.26 -4.97 119.74 110.96 1n5x s LYS 948 Ca 0.64 -0.50 -0.44 0.00 -0.36 0.00 0.00 55.97 55.32 1n5x s LYS 948 Cb -0.22 -0.47 -0.18 0.00 -1.51 0.00 0.00 37.83 35.46 1n5x s LYS 948 CO 0.64 0.11 1.86 -1.91 -0.36 0.00 0.00 175.35 175.70 1n5x n GLU 949 N 2.22 0.32 0.00 4.03 4.07 -1.26 0.07 120.64 130.09 1n5x n GLU 949 Ca -0.17 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1n5x n GLU 949 Cb 0.56 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 1n5x n GLU 949 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n5x n GLY 950 N 5.44 1.72 3.37 8.31 0.00 -1.09 -5.03 105.19 117.92 1n5x n GLY 950 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 1n5x n GLY 950 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n5x n ASP 951 N 0.00 -2.18 -4.65 1.61 8.00 0.11 -4.35 116.55 115.09 1n5x n ASP 951 Ca 0.00 0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 1n5x n ASP 951 Cb 0.00 -1.13 -0.09 0.00 -0.02 0.00 0.00 41.12 39.88 1n5x n ASP 951 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n5x s LEU 952 N -1.19 3.39 0.00 0.64 1.43 -1.26 -1.88 118.68 119.81 1n5x s LEU 952 Ca 0.57 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 1n5x s LEU 952 Cb -0.18 -1.98 0.21 0.00 0.03 0.00 0.00 46.19 44.27 1n5x s LEU 952 CO 0.67 0.26 0.86 0.35 0.23 0.00 0.00 176.35 178.72 1n5x n THR 953 N 1.28 0.00 0.25 5.49 -2.24 -0.76 -4.78 114.28 113.52 1n5x n THR 953 Ca -0.14 -0.44 0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1n5x n THR 953 Cb 0.52 -1.28 0.46 0.00 -2.10 0.00 0.00 70.33 67.93 1n5x n THR 953 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1n5x h HIS 954 N -2.23 0.00 -0.53 4.78 2.07 -1.92 -1.80 115.15 115.52 1n5x h HIS 954 Ca -0.31 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.14 1n5x h HIS 954 Cb 0.92 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.86 1n5x h HIS 954 CO 0.00 0.06 0.09 1.97 -3.07 0.00 0.00 177.93 176.98 1n5x n PHE 955 N -3.14 1.84 -3.27 6.12 1.16 -1.26 -4.73 117.46 114.18 1n5x n PHE 955 Ca 0.02 -0.76 -0.21 0.00 -1.87 0.00 0.00 57.45 54.62 1n5x n PHE 955 Cb 0.41 -0.50 0.02 0.00 -1.61 0.00 0.00 39.48 37.80 1n5x n PHE 955 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1n5x n ASN 956 N 0.27 -6.55 -3.73 5.98 3.02 -0.68 -4.46 115.26 109.11 1n5x n ASN 956 Ca 0.27 -0.04 -0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1n5x n ASN 956 Cb 1.10 -3.43 -0.13 0.00 -0.61 0.00 0.00 39.78 36.71 1n5x n ASN 956 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1n5x s GLN 957 N -2.98 0.20 0.28 3.52 0.74 -1.26 -4.62 119.66 115.53 1n5x s GLN 957 Ca 0.22 0.52 -0.30 0.00 0.05 0.00 0.00 55.36 55.86 1n5x s GLN 957 Cb -0.04 -0.12 -0.10 0.00 1.10 0.00 0.00 33.01 33.85 1n5x s GLN 957 CO 0.83 -0.16 1.41 1.03 -0.55 0.00 0.00 175.29 177.85 1n5x s ARG 958 N 1.24 4.28 -1.01 1.67 0.52 -1.26 -1.83 118.95 122.55 1n5x s ARG 958 Ca -0.09 2.30 -0.13 0.00 -0.52 0.00 0.00 55.73 57.29 1n5x s ARG 958 Cb -0.10 -3.09 0.22 0.00 0.52 0.00 0.00 34.95 32.50 1n5x s ARG 958 CO -0.08 -0.38 1.06 -0.51 0.02 0.00 0.00 175.30 175.41 1n5x s LEU 959 N -0.81 6.07 0.03 2.53 1.43 -0.79 -4.98 118.68 122.17 1n5x s LEU 959 Ca 0.56 -2.99 -0.23 0.00 -1.03 0.00 0.00 54.13 50.45 1n5x s LEU 959 Cb -0.42 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 1n5x s LEU 959 CO 0.47 -0.57 0.69 -1.61 0.23 0.00 0.00 176.35 175.56 1n5x s GLU 960 N 0.24 4.41 -0.82 1.70 2.02 -1.26 -2.66 118.70 122.33 1n5x s GLU 960 Ca 0.29 0.92 -0.05 0.00 0.02 0.00 0.00 54.97 56.15 1n5x s GLU 960 Cb -0.08 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.81 1n5x s GLU 960 CO -0.07 0.35 0.72 0.41 0.02 0.00 0.00 175.26 176.69 1n5x n GLY 961 N 2.33 0.04 3.60 -1.39 0.00 -1.26 -4.89 105.19 103.61 1n5x n GLY 961 Ca -0.05 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1n5x n GLY 961 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5x s PHE 962 N -3.20 2.21 -1.29 1.61 5.36 -1.24 -4.87 117.98 116.56 1n5x s PHE 962 Ca 0.34 0.64 0.13 0.00 -0.96 0.00 0.00 56.93 57.08 1n5x s PHE 962 Cb -0.15 -4.27 0.26 0.00 -0.34 0.00 0.00 43.02 38.52 1n5x s PHE 962 CO 0.44 -2.24 1.15 -1.13 -1.46 0.00 0.00 175.22 171.98 1n5x n SER 963 N 9.41 2.69 -0.33 6.13 3.41 -1.26 -4.56 113.62 129.10 1n5x n SER 963 Ca 0.18 -1.82 0.10 0.00 -0.26 0.00 0.00 58.87 57.07 1n5x n SER 963 Cb 0.48 -0.16 0.28 0.00 -0.26 0.00 0.00 64.21 64.54 1n5x n SER 963 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1n5x h VAL 964 N 2.43 0.73 -0.31 -3.33 2.07 -1.93 -1.38 116.25 114.53 1n5x h VAL 964 Ca 0.00 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1n5x h VAL 964 Cb 0.68 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 1n5x h VAL 964 CO 0.00 0.13 -0.07 -0.65 0.02 0.00 0.00 177.57 177.00 1n5x h PRO 965 N 0.73 0.01 -0.57 1.57 0.11 -1.94 0.61 132.00 132.52 1n5x h PRO 965 Ca 0.53 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.58 1n5x h PRO 965 Cb 0.78 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 1n5x h PRO 965 CO -0.37 0.00 0.12 0.00 -0.21 0.00 0.00 178.00 177.55 1n5x h ARG 966 N 0.01 0.90 -0.52 1.05 3.08 -1.62 0.13 114.38 117.40 1n5x h ARG 966 Ca 0.15 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1n5x h ARG 966 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1n5x h ARG 966 CO -0.31 0.81 -0.05 0.00 -1.07 0.00 0.00 179.97 179.35 1n5x h TRP 968 N 0.82 -0.12 -0.07 0.00 2.91 0.71 0.20 115.95 120.41 1n5x h TRP 968 Ca 0.14 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1n5x h TRP 968 Cb 0.60 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.28 1n5x h TRP 968 CO 0.04 0.02 0.02 -0.44 -1.03 0.00 0.00 178.44 177.05 1n5x h ASP 969 N -0.23 0.11 -0.70 2.65 3.32 -0.97 -1.22 116.42 119.39 1n5x h ASP 969 Ca -0.01 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1n5x h ASP 969 Cb 0.19 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1n5x h ASP 969 CO 0.02 0.30 0.38 -0.33 -1.72 0.00 0.00 179.24 177.89 1n5x h GLU 970 N -0.09 0.98 -0.15 3.56 5.08 -1.24 -1.28 114.58 121.45 1n5x h GLU 970 Ca 0.02 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1n5x h GLU 970 Cb 0.23 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1n5x h GLU 970 CO -0.00 0.73 0.05 0.00 -1.00 0.00 0.00 179.01 178.79 1n5x h LEU 972 N 0.06 0.43 0.09 0.00 3.38 -1.04 -0.12 115.31 118.10 1n5x h LEU 972 Ca 0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n5x h LEU 972 Cb 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1n5x h LEU 972 CO -0.00 0.24 -0.04 0.50 0.09 0.00 0.00 178.44 179.22 1n5x h LYS 973 N 0.57 -0.11 0.00 1.13 3.64 -0.98 -2.52 116.57 118.29 1n5x h LYS 973 Ca 0.36 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1n5x h LYS 973 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1n5x h LYS 973 CO -0.29 0.33 -0.31 0.66 -2.27 0.00 0.00 179.45 177.57 1n5x h SER 974 N -0.60 0.00 1.49 4.20 4.64 -1.01 -2.55 113.55 119.72 1n5x h SER 974 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1n5x h SER 974 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1n5x h SER 974 CO 0.02 0.31 -0.14 0.77 -0.87 0.00 0.00 176.83 176.92 1n5x h SER 975 N 0.00 0.00 -2.30 4.97 4.64 -1.09 -3.47 113.55 116.30 1n5x h SER 975 Ca -0.00 -0.03 -0.35 0.00 -0.47 0.00 0.00 61.79 60.93 1n5x h SER 975 Cb 0.84 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1n5x h SER 975 CO 0.04 0.02 -0.44 0.00 -0.87 0.00 0.00 176.83 175.58 1n5x n GLN 976 N -2.45 -1.39 -0.31 4.77 6.02 -0.96 -4.86 117.38 118.20 1n5x n GLN 976 Ca 0.05 0.89 -0.08 0.00 -0.01 0.00 0.00 57.00 57.84 1n5x n GLN 976 Cb 0.46 -5.34 -0.07 0.00 1.02 0.00 0.00 30.24 26.31 1n5x n GLN 976 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1n5x n TYR 977 N -3.82 -0.32 -0.07 1.08 9.36 -1.01 -0.72 117.16 121.65 1n5x n TYR 977 Ca -0.21 0.91 -0.07 0.00 3.32 0.00 0.00 57.90 61.85 1n5x n TYR 977 Cb 0.65 -0.55 -0.01 0.00 -0.63 0.00 0.00 39.34 38.80 1n5x n TYR 977 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1n5x h TYR 978 N 0.00 0.08 -0.39 2.98 0.99 -1.91 0.31 116.97 119.03 1n5x h TYR 978 Ca 0.12 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 1n5x h TYR 978 Cb 0.30 0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.01 1n5x h TYR 978 CO -0.79 0.01 0.07 0.00 -0.00 0.00 0.00 178.16 177.46 1n5x h ALA 979 N 1.21 1.40 0.00 3.88 0.00 -1.64 -2.75 119.26 121.35 1n5x h ALA 979 Ca 0.13 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1n5x h ALA 979 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1n5x h ALA 979 CO -0.18 0.43 -0.87 0.00 0.00 0.00 0.00 179.25 178.63 1n5x h ARG 980 N 0.57 0.04 -0.63 0.00 3.08 -0.05 -3.12 114.38 114.25 1n5x h ARG 980 Ca 0.13 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1n5x h ARG 980 Cb 0.25 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1n5x h ARG 980 CO 0.00 0.88 0.42 -0.22 -1.07 0.00 0.00 179.97 179.98 1n5x h LYS 981 N 0.02 0.82 0.66 0.04 3.64 -0.12 0.67 116.57 122.31 1n5x h LYS 981 Ca -0.02 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1n5x h LYS 981 Cb 1.53 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1n5x h LYS 981 CO 0.12 0.55 -0.32 0.77 -2.27 0.00 0.00 179.45 178.29 1n5x h SER 982 N 0.85 -0.75 -0.96 4.20 0.02 -1.56 -2.27 113.55 113.08 1n5x h SER 982 Ca 0.23 -0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.45 1n5x h SER 982 Cb -0.08 0.19 -0.17 0.00 0.14 0.00 0.00 62.40 62.48 1n5x h SER 982 CO -0.05 -0.47 0.07 -0.08 -1.14 0.00 0.00 176.83 175.16 1n5x h GLU 983 N -1.00 0.04 -0.53 3.45 4.81 -1.27 0.75 114.58 120.83 1n5x h GLU 983 Ca -0.09 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1n5x h GLU 983 Cb 0.71 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1n5x h GLU 983 CO 0.15 0.02 0.32 0.28 -0.73 0.00 0.00 179.01 179.05 1n5x h VAL 984 N 0.04 1.16 -0.10 0.32 2.07 -0.48 -2.20 116.25 117.05 1n5x h VAL 984 Ca 0.59 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.62 1n5x h VAL 984 Cb 1.23 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1n5x h VAL 984 CO -0.87 0.16 -0.53 0.44 0.02 0.00 0.00 177.57 176.80 1n5x h ASP 985 N 0.71 0.33 -0.17 0.57 3.32 -0.35 -1.57 116.42 119.26 1n5x h ASP 985 Ca 0.19 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1n5x h ASP 985 Cb -0.02 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1n5x h ASP 985 CO -0.04 0.80 0.09 0.50 -1.72 0.00 0.00 179.24 178.87 1n5x h LYS 986 N 0.23 0.25 -0.15 3.56 3.64 -1.03 -0.84 116.57 122.23 1n5x h LYS 986 Ca 0.01 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1n5x h LYS 986 Cb 1.01 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 1n5x h LYS 986 CO 0.09 0.26 -0.12 0.35 -2.27 0.00 0.00 179.45 177.75 1n5x h PHE 987 N 0.17 -0.31 -0.20 1.91 3.57 -1.23 -0.10 116.94 120.76 1n5x h PHE 987 Ca 0.06 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1n5x h PHE 987 Cb 0.09 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1n5x h PHE 987 CO -0.03 -0.19 0.15 -0.91 -2.23 0.00 0.00 178.31 175.10 1n5x h ASN 988 N -0.14 0.00 0.02 0.41 2.35 -0.93 0.49 115.58 117.77 1n5x h ASN 988 Ca 0.09 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1n5x h ASN 988 Cb 0.28 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1n5x h ASN 988 CO -0.23 0.00 -0.52 0.11 -1.65 0.00 0.00 177.43 175.14 1n5x h LYS 989 N 0.00 0.32 -0.00 0.81 1.57 0.14 -3.29 116.57 116.11 1n5x h LYS 989 Ca 0.10 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1n5x h LYS 989 Cb 0.40 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1n5x h LYS 989 CO -0.00 1.07 -0.02 0.39 -0.57 0.00 0.00 179.45 180.33 1n5x n GLU 990 N -4.29 0.82 -4.69 3.15 1.02 -0.18 -4.80 120.64 111.67 1n5x n GLU 990 Ca -0.11 -0.10 -0.28 0.00 -0.02 0.00 0.00 57.16 56.66 1n5x n GLU 990 Cb 0.65 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.40 1n5x n GLU 990 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1n5x s ASN 991 N -2.25 2.32 -0.19 1.62 0.01 0.09 -4.55 114.94 112.00 1n5x s ASN 991 Ca 0.38 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1n5x s ASN 991 Cb 0.21 -1.06 -0.21 0.00 0.41 0.00 0.00 41.25 40.60 1n5x s ASN 991 CO 0.41 0.06 0.07 0.00 -1.51 0.00 0.00 177.10 176.13 1n5x n TRP 993 N -3.29 0.88 -3.69 0.00 7.02 -1.26 -4.93 117.44 112.18 1n5x n TRP 993 Ca -0.38 -0.80 -0.10 0.00 -1.02 0.00 0.00 57.50 55.19 1n5x n TRP 993 Cb 1.03 -0.27 -0.10 0.00 -2.42 0.00 0.00 31.31 29.55 1n5x n TRP 993 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1n5x s LYS 994 N -2.48 0.48 0.26 -0.99 1.02 -1.26 -2.54 119.74 114.22 1n5x s LYS 994 Ca 0.39 0.83 0.07 0.00 0.02 0.00 0.00 55.97 57.29 1n5x s LYS 994 Cb 0.30 0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 1n5x s LYS 994 CO 0.10 -0.14 -0.09 0.15 -0.92 0.00 0.00 175.35 174.46 1n5x s LYS 995 N 1.20 1.51 -0.02 1.68 -0.14 -1.04 -4.73 119.74 118.21 1n5x s LYS 995 Ca -0.08 -1.74 0.06 0.00 -1.36 0.00 0.00 55.97 52.85 1n5x s LYS 995 Cb -0.07 -1.20 -0.01 0.00 -1.68 0.00 0.00 37.83 34.87 1n5x s LYS 995 CO -0.11 0.09 -0.19 1.03 -0.76 0.00 0.00 175.35 175.42 1n5x s ARG 996 N -3.69 1.56 0.17 1.68 0.52 -1.26 -0.64 118.95 117.29 1n5x s ARG 996 Ca 0.28 -0.67 0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1n5x s ARG 996 Cb 0.02 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 1n5x s ARG 996 CO 0.11 0.39 -0.12 0.20 0.02 0.00 0.00 175.30 175.90 1n5x s GLY 997 N -0.40 1.73 -0.13 -3.53 0.00 -0.33 -4.38 107.32 100.28 1n5x s GLY 997 Ca 0.06 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.26 1n5x s GLY 997 CO -0.00 -1.48 0.27 -2.27 0.00 0.00 0.00 173.10 169.61 1n5x s LEU 998 N -2.70 -0.15 0.02 0.66 2.96 -1.25 -1.15 118.68 117.06 1n5x s LEU 998 Ca 0.23 0.60 -0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1n5x s LEU 998 Cb -0.09 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 1n5x s LEU 998 CO 0.14 -0.22 -0.02 0.00 -1.32 0.00 0.00 176.35 174.92 1n5x s ILE 1000N -1.84 0.93 0.02 0.00 2.07 -1.26 -1.89 121.20 119.23 1n5x s ILE 1000Ca -0.12 -0.44 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 1n5x s ILE 1000Cb -0.07 -1.10 -0.03 0.00 0.13 0.00 0.00 42.46 41.39 1n5x s ILE 1000CO -0.02 0.16 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.35 1n5x s ILE 1001N 1.72 2.69 0.54 2.00 -1.09 -0.15 -4.89 121.20 122.02 1n5x s ILE 1001Ca 0.02 -1.13 0.05 0.00 -2.23 0.00 0.00 60.65 57.36 1n5x s ILE 1001Cb -0.14 -2.10 0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1n5x s ILE 1001CO -0.07 0.40 0.43 -0.81 -1.23 0.00 0.00 174.94 173.65 1n5x n PRO 1002N 1.77 0.69 -3.57 2.79 -0.04 -1.26 -0.44 135.00 134.94 1n5x n PRO 1002Ca -0.16 -3.36 -0.07 0.00 -0.04 0.00 0.00 63.50 59.87 1n5x n PRO 1002Cb 0.52 0.32 -0.03 0.00 -0.04 0.00 0.00 33.50 34.27 1n5x n PRO 1002CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1n5x s THR 1003N -2.67 0.00 -0.05 0.52 -1.32 -0.18 -4.91 115.64 107.03 1n5x s THR 1003Ca 0.32 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.77 1n5x s THR 1003Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1n5x s THR 1003CO 0.21 0.00 0.13 -1.59 -2.21 0.00 0.00 174.62 171.16 1n5x s LYS 1004N -2.10 0.12 -0.07 7.08 -2.85 -1.26 -2.30 119.74 118.37 1n5x s LYS 1004Ca 0.05 0.24 0.04 0.00 -1.00 0.00 0.00 55.97 55.30 1n5x s LYS 1004Cb -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 37.83 35.74 1n5x s LYS 1004CO -0.04 -0.07 -0.21 0.12 0.10 0.00 0.00 175.35 175.24 1n5x s PHE 1005N 0.46 2.19 -0.23 1.78 5.36 0.18 -4.94 117.98 122.77 1n5x s PHE 1005Ca -0.03 -0.78 -0.29 0.00 -0.96 0.00 0.00 56.93 54.87 1n5x s PHE 1005Cb -0.05 -1.47 0.00 0.00 -0.34 0.00 0.00 43.02 41.16 1n5x s PHE 1005CO -0.02 -0.30 1.18 0.20 -1.46 0.00 0.00 175.22 174.83 1n5x s GLY 1006N 0.20 1.59 -0.30 13.12 0.00 -1.26 -1.59 107.32 119.08 1n5x s GLY 1006Ca -0.11 0.24 -0.19 0.00 0.00 0.00 0.00 44.72 44.65 1n5x s GLY 1006CO 0.06 2.40 0.57 -0.42 0.00 0.00 0.00 173.10 175.70 1n5x s ILE 1007N 3.61 5.00 0.00 0.90 -1.09 -0.27 -4.95 121.20 124.40 1n5x s ILE 1007Ca 0.51 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1n5x s ILE 1007Cb -0.17 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1n5x s ILE 1007CO 0.14 -0.07 0.00 -1.20 -1.23 0.00 0.00 174.94 172.58 1n5x n SER 1008N 5.73 0.00 -4.78 3.58 7.64 -1.26 -0.98 113.62 123.55 1n5x n SER 1008Ca -0.03 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.49 1n5x n SER 1008Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1n5x n SER 1008CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1n5x s PHE 1009N -2.05 3.12 -1.19 1.43 0.40 -1.26 -4.90 117.98 113.53 1n5x s PHE 1009Ca 0.00 1.60 0.30 0.00 -0.60 0.00 0.00 56.93 58.23 1n5x s PHE 1009Cb 0.00 -3.21 1.36 0.00 0.51 0.00 0.00 43.02 41.68 1n5x s PHE 1009CO 0.00 -0.94 1.99 0.25 0.70 0.00 0.00 175.22 177.21 1n5x n THR 1010N -0.25 0.00 -3.53 0.64 -2.24 -1.26 -4.39 114.28 103.25 1n5x n THR 1010Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 1n5x n THR 1010Cb 0.49 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1n5x n THR 1010CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1n5x s VAL 1011N -2.81 5.22 0.27 2.28 1.01 -1.26 -4.93 120.40 120.18 1n5x s VAL 1011Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1n5x s VAL 1011Cb 0.20 -3.71 0.28 0.00 0.00 0.00 0.00 36.38 33.15 1n5x s VAL 1011CO 0.50 -0.04 1.86 -0.65 0.00 0.00 0.00 175.10 176.78 1n5x h PRO 1012N 8.49 1.08 0.00 2.72 0.11 -1.94 -2.90 132.00 139.56 1n5x h PRO 1012Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n5x h PRO 1012Cb 1.15 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1n5x h PRO 1012CO 0.64 0.71 0.00 1.97 -0.21 0.00 0.00 178.00 181.11 1n5x n PHE 1013N -4.55 0.00 1.03 0.65 1.16 -1.26 -2.31 117.46 112.19 1n5x n PHE 1013Ca 0.17 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.88 1n5x n PHE 1013Cb 0.25 -0.46 0.38 0.00 -1.61 0.00 0.00 39.48 38.05 1n5x n PHE 1013CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1n5x n LEU 1014N -1.46 0.37 -3.35 5.98 4.77 -1.09 -4.42 117.00 117.81 1n5x n LEU 1014Ca 0.04 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 1n5x n LEU 1014Cb 0.15 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1n5x n LEU 1014CO 0.12 0.09 2.90 0.59 -1.33 0.00 0.00 177.39 179.76 1n5x n ASN 1015N -1.43 8.35 -3.98 -1.43 3.02 -0.98 -4.75 115.26 114.07 1n5x n ASN 1015Ca 0.07 -2.84 -0.11 0.00 -0.03 0.00 0.00 54.58 51.67 1n5x n ASN 1015Cb 0.33 -1.46 -0.12 0.00 -0.61 0.00 0.00 39.78 37.92 1n5x n ASN 1015CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n5x s GLN 1016N 0.59 0.31 -0.12 3.52 -2.07 -1.26 -1.46 119.66 119.16 1n5x s GLN 1016Ca 0.63 -0.51 -0.11 0.00 -1.82 0.00 0.00 55.36 53.54 1n5x s GLN 1016Cb 0.19 -0.02 0.03 0.00 -1.09 0.00 0.00 33.01 32.12 1n5x s GLN 1016CO -0.08 -0.01 0.33 0.00 -1.32 0.00 0.00 175.29 174.21 1n5x s ALA 1017N -1.12 -0.81 0.30 2.60 0.00 -0.62 -4.55 121.76 117.55 1n5x s ALA 1017Ca -0.11 0.94 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1n5x s ALA 1017Cb -0.08 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1n5x s ALA 1017CO -0.01 -0.16 -0.01 0.20 0.00 0.00 0.00 175.76 175.78 1n5x s GLY 1018N 0.21 1.85 -0.15 0.00 0.00 -1.26 -1.24 107.32 106.73 1n5x s GLY 1018Ca -0.00 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 42.73 1n5x s GLY 1018CO 0.00 -1.82 0.49 0.00 0.00 0.00 0.00 173.10 171.78 1n5x s ALA 1019N -2.42 -1.24 -0.10 3.20 0.00 -0.49 -2.25 121.76 118.46 1n5x s ALA 1019Ca 0.33 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.55 1n5x s ALA 1019Cb -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1n5x s ALA 1019CO 0.19 -0.26 -0.17 -1.17 0.00 0.00 0.00 175.76 174.36 1n5x s LEU 1020N -0.16 1.82 -0.08 0.00 2.96 0.25 -0.19 118.68 123.28 1n5x s LEU 1020Ca -0.03 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1n5x s LEU 1020Cb -0.03 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.53 1n5x s LEU 1020CO 0.02 0.05 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.34 1n5x s ILE 1021N 0.80 1.27 -0.01 6.68 1.01 -0.65 -1.04 121.20 129.26 1n5x s ILE 1021Ca -0.10 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1n5x s ILE 1021Cb -0.16 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1n5x s ILE 1021CO 0.01 0.39 -0.23 -1.00 0.00 0.00 0.00 174.94 174.11 1n5x s HIS 1022N 0.72 2.43 -0.19 3.97 3.76 -0.80 -1.94 115.29 123.24 1n5x s HIS 1022Ca -0.13 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1n5x s HIS 1022Cb -0.16 -1.51 0.02 0.00 1.11 0.00 0.00 32.58 32.05 1n5x s HIS 1022CO 0.03 0.07 -0.18 0.08 -0.85 0.00 0.00 174.74 173.89 1n5x s VAL 1023N -0.70 2.18 0.61 -0.90 1.01 -0.33 -1.16 120.40 121.10 1n5x s VAL 1023Ca 0.11 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1n5x s VAL 1023Cb -0.10 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1n5x s VAL 1023CO 0.00 0.48 0.97 -0.31 0.00 0.00 0.00 175.10 176.25 1n5x s TYR 1024N 1.29 3.46 -0.69 5.22 1.51 0.01 -4.81 117.35 123.35 1n5x s TYR 1024Ca 0.04 1.00 0.06 0.00 -1.01 0.00 0.00 57.07 57.16 1n5x s TYR 1024Cb -0.14 -2.73 0.33 0.00 -0.11 0.00 0.00 41.96 39.31 1n5x s TYR 1024CO -0.12 -0.76 1.15 0.25 -1.11 0.00 0.00 175.55 174.97 1n5x n THR 1025N -2.68 1.57 1.27 -0.71 -2.24 -1.26 -0.45 114.28 109.77 1n5x n THR 1025Ca 0.05 0.57 0.13 0.00 -2.27 0.00 0.00 64.05 62.53 1n5x n THR 1025Cb 0.56 -1.57 0.34 0.00 -2.10 0.00 0.00 70.33 67.55 1n5x n THR 1025CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n5x n ASP 1026N -1.69 1.79 0.00 3.42 3.85 -1.26 -4.61 116.55 118.05 1n5x n ASP 1026Ca -0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 1n5x n ASP 1026Cb 0.06 0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1n5x n ASP 1026CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n5x n GLY 1027N 1.28 2.19 3.75 6.12 0.00 0.40 -4.89 105.19 114.03 1n5x n GLY 1027Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1n5x n GLY 1027CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n5x s SER 1028N -1.57 6.81 0.00 1.61 1.04 -1.25 -4.72 113.70 115.62 1n5x s SER 1028Ca 0.00 2.53 0.00 0.00 0.48 0.00 0.00 55.95 58.96 1n5x s SER 1028Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1n5x s SER 1028CO 0.00 -0.57 0.07 -0.69 0.98 0.00 0.00 173.24 173.03 1n5x s VAL 1029N -0.20 4.65 -0.20 5.02 1.01 0.97 -0.81 120.40 130.84 1n5x s VAL 1029Ca 0.56 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1n5x s VAL 1029Cb -0.39 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 32.92 1n5x s VAL 1029CO 0.43 0.33 -0.04 -0.22 0.00 0.00 0.00 175.10 175.60 1n5x s LEU 1030N -1.79 1.94 -0.04 3.92 2.96 -0.31 -2.00 118.68 123.36 1n5x s LEU 1030Ca 0.23 -0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1n5x s LEU 1030Cb -0.12 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1n5x s LEU 1030CO 0.14 -0.22 0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 1n5x s VAL 1031N 1.57 5.26 -0.07 1.68 1.01 -0.47 -1.91 120.40 127.48 1n5x s VAL 1031Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1n5x s VAL 1031Cb -0.17 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1n5x s VAL 1031CO -0.07 0.42 0.15 -0.55 0.00 0.00 0.00 175.10 175.05 1n5x s SER 1032N -1.60 0.39 0.36 3.32 0.15 -0.20 -4.31 113.70 111.80 1n5x s SER 1032Ca 0.22 0.30 0.04 0.00 0.70 0.00 0.00 55.95 57.21 1n5x s SER 1032Cb -0.12 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1n5x s SER 1032CO 0.13 -0.20 0.08 -1.38 1.20 0.00 0.00 173.24 173.06 1n5x s HIS 1033N 1.79 1.90 -1.23 3.44 -3.43 -1.26 0.86 115.29 117.36 1n5x s HIS 1033Ca -0.02 -1.05 0.24 0.00 -0.80 0.00 0.00 55.06 53.42 1n5x s HIS 1033Cb -0.12 -1.26 1.11 0.00 -1.43 0.00 0.00 32.58 30.88 1n5x s HIS 1033CO -0.06 -0.07 1.77 0.41 -2.00 0.00 0.00 174.74 174.79 1n5x n GLY 1034N -0.77 -1.18 3.81 -1.38 0.00 -0.95 -4.71 105.19 100.00 1n5x n GLY 1034Ca -0.04 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1n5x n GLY 1034CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n5x s GLY 1035N -2.77 2.55 0.21 -0.02 0.00 -1.26 -4.84 107.32 101.18 1n5x s GLY 1035Ca 0.17 0.35 0.08 0.00 0.00 0.00 0.00 44.72 45.32 1n5x s GLY 1035CO 0.39 0.68 0.02 -0.51 0.00 0.00 0.00 173.10 173.68 1n5x s THR 1036N -1.86 3.73 -0.15 0.90 -4.23 -1.26 -4.73 115.64 108.04 1n5x s THR 1036Ca 0.54 -1.55 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1n5x s THR 1036Cb -0.14 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1n5x s THR 1036CO 0.18 -0.21 0.12 -0.70 -0.54 0.00 0.00 174.62 173.48 1n5x s GLU 1037N -3.24 3.73 0.00 3.99 2.56 -1.26 -4.86 118.70 119.62 1n5x s GLU 1037Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.06 1n5x s GLU 1037Cb -0.08 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.79 1n5x s GLU 1037CO 0.20 0.56 0.53 0.00 -0.56 0.00 0.00 175.26 175.98 1n5x n MET 1038N 2.69 0.32 0.00 4.30 0.00 -1.26 -0.82 117.12 122.35 1n5x n MET 1038Ca -0.18 -0.59 0.00 0.00 0.00 0.00 0.00 57.70 56.93 1n5x n MET 1038Cb 0.54 -0.56 0.00 0.00 0.00 0.00 0.00 33.22 33.20 1n5x n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n5x n GLY 1039N -0.05 1.28 0.18 3.17 0.00 -1.26 -3.45 105.19 105.06 1n5x n GLY 1039Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1n5x n GLY 1039CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1n5x h GLN 1040N 0.45 0.00 -0.01 1.61 -0.00 -1.94 -3.37 115.11 111.85 1n5x h GLN 1040Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1n5x h GLN 1040Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1n5x h GLN 1040CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.24 1n5x n GLY 1041N 0.70 1.00 0.13 0.06 0.00 -1.26 -4.94 105.19 100.89 1n5x n GLY 1041Ca 0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1n5x n GLY 1041CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n5x h LEU 1042N 0.00 -0.21 -1.67 0.99 5.85 -1.91 -1.24 115.31 117.12 1n5x h LEU 1042Ca 0.00 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1n5x h LEU 1042Cb 0.61 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1n5x h LEU 1042CO 0.00 -0.05 -0.17 0.45 -0.34 0.00 0.00 178.44 178.33 1n5x h HIS 1043N -0.35 0.00 0.09 1.25 3.86 -1.94 0.10 115.15 118.15 1n5x h HIS 1043Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1n5x h HIS 1043Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1n5x h HIS 1043CO -0.03 0.17 -0.04 1.15 0.86 0.00 0.00 177.93 180.03 1n5x h THR 1044N 0.00 1.13 -0.89 2.45 2.02 -1.91 -2.10 112.91 113.60 1n5x h THR 1044Ca -0.00 -0.90 0.07 0.00 0.77 0.00 0.00 66.41 66.35 1n5x h THR 1044Cb 0.30 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 1n5x h THR 1044CO 0.02 0.22 0.55 0.11 0.37 0.00 0.00 175.52 176.79 1n5x h LYS 1045N -0.54 0.96 -0.29 6.66 1.57 -0.63 -1.44 116.57 122.85 1n5x h LYS 1045Ca -0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1n5x h LYS 1045Cb 0.45 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1n5x h LYS 1045CO 0.02 0.63 -0.05 0.52 -0.57 0.00 0.00 179.45 180.00 1n5x h MET 1046N 0.99 0.46 -0.27 3.15 2.86 -0.77 -1.12 114.93 120.23 1n5x h MET 1046Ca 0.40 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.85 1n5x h MET 1046Cb 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1n5x h MET 1046CO -0.19 0.53 -0.15 0.28 1.06 0.00 0.00 176.91 178.44 1n5x h VAL 1047N 0.44 1.30 -0.91 -2.22 2.07 -0.59 -1.84 116.25 114.50 1n5x h VAL 1047Ca 0.09 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.42 1n5x h VAL 1047Cb 0.37 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1n5x h VAL 1047CO 0.02 0.40 0.57 1.56 0.02 0.00 0.00 177.57 180.14 1n5x h GLN 1048N 0.32 1.01 -0.15 1.57 4.20 -0.86 0.24 115.11 121.45 1n5x h GLN 1048Ca 0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1n5x h GLN 1048Cb 0.67 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1n5x h GLN 1048CO 0.04 0.67 -0.01 0.28 -0.67 0.00 0.00 178.83 179.14 1n5x h VAL 1049N 1.04 1.27 -0.57 -0.54 2.07 -1.10 -2.16 116.25 116.26 1n5x h VAL 1049Ca 0.39 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1n5x h VAL 1049Cb 0.17 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1n5x h VAL 1049CO -0.17 0.26 0.18 0.00 0.02 0.00 0.00 177.57 177.85 1n5x h ALA 1050N 0.74 1.24 -0.09 1.67 0.00 -0.95 0.21 119.26 122.09 1n5x h ALA 1050Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1n5x h ALA 1050Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1n5x h ALA 1050CO 0.01 0.54 -0.29 1.03 0.00 0.00 0.00 179.25 180.54 1n5x h SER 1051N 0.83 0.16 0.11 0.00 0.87 -0.85 0.36 113.55 115.02 1n5x h SER 1051Ca 0.19 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.52 1n5x h SER 1051Cb 0.24 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1n5x h SER 1051CO -0.01 0.45 -0.85 0.50 -0.53 0.00 0.00 176.83 176.39 1n5x h LYS 1052N 0.14 0.23 0.07 2.24 3.64 -0.94 -1.58 116.57 120.37 1n5x h LYS 1052Ca 0.02 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1n5x h LYS 1052Cb 0.59 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1n5x h LYS 1052CO 0.04 1.19 -0.20 0.00 -2.27 0.00 0.00 179.45 178.21 1n5x h ALA 1053N 0.02 -0.31 0.00 5.00 0.00 -0.42 -2.75 119.26 120.79 1n5x h ALA 1053Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1n5x h ALA 1053Cb 1.56 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1n5x h ALA 1053CO 0.10 -0.72 -0.01 -0.07 0.00 0.00 0.00 179.25 178.55 1n5x h LEU 1054N -0.36 0.00 -1.61 0.00 3.38 -0.42 -3.48 115.31 112.82 1n5x h LEU 1054Ca 0.04 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1n5x h LEU 1054Cb 0.41 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.27 1n5x h LEU 1054CO -0.14 0.00 -0.54 0.29 0.09 0.00 0.00 178.44 178.14 1n5x n LYS 1055N -2.80 -4.89 -4.16 1.13 5.02 -0.63 -5.05 118.16 106.79 1n5x n LYS 1055Ca 0.05 0.60 -0.10 0.00 -2.02 0.00 0.00 58.31 56.84 1n5x n LYS 1055Cb 0.49 -4.91 -0.10 0.00 -0.02 0.00 0.00 35.03 30.50 1n5x n LYS 1055CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1n5x s ILE 1056N -3.25 0.64 0.79 -0.18 -4.36 -0.97 -5.05 121.20 108.82 1n5x s ILE 1056Ca 0.07 -1.87 -0.13 0.00 -0.26 0.00 0.00 60.65 58.45 1n5x s ILE 1056Cb -0.03 -1.60 0.08 0.00 1.25 0.00 0.00 42.46 42.15 1n5x s ILE 1056CO 0.52 -0.86 1.20 -2.84 0.24 0.00 0.00 174.94 173.20 1n5x s PRO 1057N -3.71 1.73 0.42 0.37 0.02 -1.26 -4.62 135.00 127.96 1n5x s PRO 1057Ca 0.10 1.73 0.19 0.00 0.02 0.00 0.00 61.00 63.04 1n5x s PRO 1057Cb 0.05 -1.79 0.96 0.00 0.02 0.00 0.00 34.50 33.73 1n5x s PRO 1057CO -0.05 -2.14 1.89 -0.84 -0.33 0.00 0.00 177.00 175.53 1n5x h ILE 1058N -0.82 0.94 -0.47 2.83 3.07 -1.91 -2.89 117.51 118.25 1n5x h ILE 1058Ca -0.46 -1.06 0.14 0.00 1.55 0.00 0.00 64.86 65.03 1n5x h ILE 1058Cb 1.29 1.62 -0.02 0.00 -0.27 0.00 0.00 36.82 39.44 1n5x h ILE 1058CO 0.47 0.27 0.39 0.77 -1.05 0.00 0.00 178.15 179.00 1n5x h SER 1059N 0.00 0.00 -0.03 2.16 4.64 -1.99 0.29 113.55 118.63 1n5x h SER 1059Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n5x h SER 1059Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1n5x h SER 1059CO 0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1n5x n LYS 1060N -4.12 1.43 -4.39 4.77 5.02 -1.09 -4.84 118.16 114.94 1n5x n LYS 1060Ca 0.09 -0.63 -0.30 0.00 -2.02 0.00 0.00 58.31 55.45 1n5x n LYS 1060Cb 0.59 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 1n5x n LYS 1060CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n5x s ILE 1061N -1.98 2.98 -0.15 -0.18 1.01 0.10 -0.02 121.20 122.96 1n5x s ILE 1061Ca 0.40 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 1n5x s ILE 1061Cb 0.20 -2.34 0.04 0.00 0.01 0.00 0.00 42.46 40.38 1n5x s ILE 1061CO 0.33 0.18 0.43 -0.47 0.00 0.00 0.00 174.94 175.41 1n5x s TYR 1062N -1.09 -0.46 -0.16 3.97 5.04 -0.85 -4.95 117.35 118.84 1n5x s TYR 1062Ca 0.18 1.12 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1n5x s TYR 1062Cb -0.11 0.16 0.02 0.00 0.35 0.00 0.00 41.96 42.39 1n5x s TYR 1062CO 0.09 -0.24 -0.16 0.42 -1.34 0.00 0.00 175.55 174.33 1n5x s ILE 1063N 0.15 1.74 -0.14 3.14 1.01 -1.26 -1.36 121.20 124.47 1n5x s ILE 1063Ca -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1n5x s ILE 1063Cb -0.03 -1.62 -0.25 0.00 0.01 0.00 0.00 42.46 40.57 1n5x s ILE 1063CO 0.01 0.46 0.27 -0.24 0.00 0.00 0.00 174.94 175.43 1n5x n SER 1064N 4.71 2.08 -1.32 3.58 2.88 -1.26 -5.05 113.62 119.25 1n5x n SER 1064Ca -0.18 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1n5x n SER 1064Cb 0.50 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1n5x n SER 1064CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1n5x n GLU 1065N -3.44 0.03 -5.10 -1.46 0.28 -1.26 -4.87 120.64 104.82 1n5x n GLU 1065Ca -0.34 -0.10 -0.30 0.00 -0.16 0.00 0.00 57.16 56.25 1n5x n GLU 1065Cb 1.04 0.16 -0.17 0.00 1.43 0.00 0.00 31.44 33.90 1n5x n GLU 1065CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1n5x s THR 1066N -2.19 1.87 -0.10 3.84 2.01 -0.82 -4.65 115.64 115.60 1n5x s THR 1066Ca 0.03 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 1n5x s THR 1066Cb -0.00 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.92 1n5x s THR 1066CO 0.00 0.52 0.35 -0.94 -0.69 0.00 0.00 174.62 173.86 1n5x s SER 1067N 0.29 -0.33 0.05 3.53 1.04 -1.26 0.03 113.70 117.06 1n5x s SER 1067Ca -0.15 0.54 0.10 0.00 0.48 0.00 0.00 55.95 56.92 1n5x s SER 1067Cb -0.17 0.61 0.45 0.00 0.10 0.00 0.00 66.02 67.01 1n5x s SER 1067CO 0.07 -0.22 1.31 0.35 0.98 0.00 0.00 173.24 175.73 1n5x n THR 1068N 2.39 1.39 0.95 2.02 -2.24 -0.70 -2.41 114.28 115.69 1n5x n THR 1068Ca -0.16 0.39 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1n5x n THR 1068Cb 0.57 -1.28 0.02 0.00 -2.10 0.00 0.00 70.33 67.54 1n5x n THR 1068CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1n5x n ASN 1069N -1.63 2.22 -0.10 3.42 6.94 -1.26 -3.92 115.26 120.93 1n5x n ASN 1069Ca 0.02 -1.61 -0.13 0.00 -0.02 0.00 0.00 54.58 52.83 1n5x n ASN 1069Cb 0.10 0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 37.76 1n5x n ASN 1069CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1n5x n THR 1070N 0.33 1.19 -3.57 5.53 -2.24 -1.01 -4.88 114.28 109.63 1n5x n THR 1070Ca 0.10 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 61.09 1n5x n THR 1070Cb 0.48 -1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 67.43 1n5x n THR 1070CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1n5x s VAL 1071N -2.42 -0.02 1.00 2.28 1.01 -1.16 -4.70 120.40 116.38 1n5x s VAL 1071Ca -0.25 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1n5x s VAL 1071Cb 0.07 -0.91 0.22 0.00 0.00 0.00 0.00 36.38 35.76 1n5x s VAL 1071CO 0.52 -0.60 1.34 -2.16 0.00 0.00 0.00 175.10 174.20 1n5x s PRO 1072N 2.08 0.35 -0.81 2.72 0.04 -1.25 -4.52 135.00 133.61 1n5x s PRO 1072Ca 0.07 -0.49 -0.04 0.00 0.04 0.00 0.00 61.00 60.58 1n5x s PRO 1072Cb -0.16 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1n5x s PRO 1072CO -0.29 -2.60 0.07 0.09 0.04 0.00 0.00 177.00 174.31 1n5x n ASN 1073N -3.88 0.01 -4.85 6.66 3.02 -1.26 -4.91 115.26 110.05 1n5x n ASN 1073Ca 0.16 -0.70 -0.34 0.00 -0.03 0.00 0.00 54.58 53.67 1n5x n ASN 1073Cb 0.59 -0.86 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 1n5x n ASN 1073CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1n5x s SER 1074N -3.84 6.76 0.54 6.41 1.04 -1.26 -5.02 113.70 118.34 1n5x s SER 1074Ca 0.05 1.02 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 1n5x s SER 1074Cb -0.03 -2.27 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 1n5x s SER 1074CO 0.54 0.06 1.01 -0.44 0.98 0.00 0.00 173.24 175.39 1n5x s SER 1075N -1.89 6.30 0.80 7.02 0.01 -1.26 -4.36 113.70 120.32 1n5x s SER 1075Ca 0.40 1.67 -0.14 0.00 1.31 0.00 0.00 55.95 59.19 1n5x s SER 1075Cb -0.14 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.64 1n5x s SER 1075CO 0.20 -0.81 1.12 -0.81 0.41 0.00 0.00 173.24 173.34 1n5x n PRO 1076N -1.74 0.23 -2.60 12.44 -0.04 -1.26 -4.84 135.00 137.18 1n5x n PRO 1076Ca 0.07 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.27 1n5x n PRO 1076Cb 0.54 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 1n5x n PRO 1076CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1n5x s THR 1077N -2.07 4.02 0.07 0.52 2.01 0.63 -4.85 115.64 115.96 1n5x s THR 1077Ca 0.73 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1n5x s THR 1077Cb -0.30 -5.04 0.01 0.00 0.01 0.00 0.00 72.50 67.18 1n5x s THR 1077CO 0.51 -1.90 0.12 0.00 -0.69 0.00 0.00 174.62 172.66 1n5x n ALA 1078N 8.62 -0.18 -1.15 7.40 0.00 -1.26 -4.94 120.51 128.99 1n5x n ALA 1078Ca 0.33 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1n5x n ALA 1078Cb 0.50 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 1n5x n ALA 1078CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5x n ALA 1079N -2.53 -0.10 -0.79 0.00 0.00 -1.26 -3.06 120.51 112.77 1n5x n ALA 1079Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1n5x n ALA 1079Cb 0.12 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1n5x n ALA 1079CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n5x n SER 1080N -0.93 -2.92 -0.10 0.00 7.64 -1.26 -4.24 113.62 111.80 1n5x n SER 1080Ca -0.07 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.93 1n5x n SER 1080Cb 0.53 -2.68 0.19 0.00 -1.01 0.00 0.00 64.21 61.25 1n5x n SER 1080CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1n5x n VAL 1081N -2.06 0.00 -0.30 0.44 0.24 -1.17 -4.46 118.33 111.01 1n5x n VAL 1081Ca 0.00 -0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.39 1n5x n VAL 1081Cb 0.23 0.50 0.30 0.00 -1.47 0.00 0.00 33.84 33.40 1n5x n VAL 1081CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1n5x h SER 1082N 0.49 -0.05 -0.15 -1.34 0.02 -1.88 0.32 113.55 110.97 1n5x h SER 1082Ca 0.00 0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1n5x h SER 1082Cb 0.52 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1n5x h SER 1082CO 0.00 -0.19 -0.04 0.74 -1.14 0.00 0.00 176.83 176.20 1n5x h THR 1083N 0.17 1.29 -0.30 -2.27 2.02 -1.96 0.76 112.91 112.61 1n5x h THR 1083Ca 0.57 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.81 1n5x h THR 1083Cb 1.17 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 1n5x h THR 1083CO -0.69 0.29 -0.02 0.44 0.37 0.00 0.00 175.52 175.91 1n5x h ASP 1084N -0.01 -0.16 0.17 4.18 3.45 -0.97 -1.25 116.42 121.83 1n5x h ASP 1084Ca 0.04 0.07 -0.33 0.00 0.43 0.00 0.00 57.03 57.24 1n5x h ASP 1084Cb 0.47 0.14 0.01 0.00 -0.56 0.00 0.00 39.33 39.38 1n5x h ASP 1084CO 0.02 -0.05 -1.67 0.16 -1.57 0.00 0.00 179.24 176.13 1n5x h ILE 1085N 0.06 0.97 -0.22 0.35 3.07 -0.54 -3.21 117.51 117.99 1n5x h ILE 1085Ca 0.14 -2.49 -0.16 0.00 1.55 0.00 0.00 64.86 63.90 1n5x h ILE 1085Cb 0.20 2.76 -0.01 0.00 -0.27 0.00 0.00 36.82 39.51 1n5x h ILE 1085CO -0.26 0.82 -0.53 1.88 -1.05 0.00 0.00 178.15 179.02 1n5x h TYR 1086N 0.01 0.78 -0.08 0.16 -1.99 -0.91 -2.06 116.97 112.88 1n5x h TYR 1086Ca -0.33 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.10 1n5x h TYR 1086Cb 2.02 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 40.59 1n5x h TYR 1086CO 0.11 1.02 -0.06 0.78 -0.00 0.00 0.00 178.16 180.01 1n5x h GLY 1087N 0.99 0.12 1.19 3.88 0.00 -1.34 0.21 103.07 108.12 1n5x h GLY 1087Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1n5x h GLY 1087CO 0.10 0.06 -0.91 -1.61 0.00 0.00 0.00 176.54 174.18 1n5x h GLN 1088N 0.11 0.76 -0.53 4.80 5.75 -1.51 -1.05 115.11 123.44 1n5x h GLN 1088Ca 0.03 -0.71 -0.08 0.00 -0.15 0.00 0.00 58.65 57.74 1n5x h GLN 1088Cb 0.19 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1n5x h GLN 1088CO 0.01 1.30 0.04 0.00 -2.65 0.00 0.00 178.83 177.52 1n5x h ALA 1089N 0.48 0.71 0.21 3.38 0.00 -0.55 -0.39 119.26 123.09 1n5x h ALA 1089Ca -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1n5x h ALA 1089Cb 1.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1n5x h ALA 1089CO 0.18 0.49 -0.10 0.28 0.00 0.00 0.00 179.25 180.11 1n5x h VAL 1090N 0.79 0.86 -0.50 0.00 2.07 -0.65 -2.44 116.25 116.38 1n5x h VAL 1090Ca 0.16 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1n5x h VAL 1090Cb 0.48 1.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 1n5x h VAL 1090CO 0.02 0.09 -0.34 0.22 0.02 0.00 0.00 177.57 177.58 1n5x h TYR 1091N -0.47 -0.94 -0.56 1.57 3.20 -1.04 0.46 116.97 119.18 1n5x h TYR 1091Ca -0.03 0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.99 1n5x h TYR 1091Cb 0.36 0.48 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 1n5x h TYR 1091CO -0.01 -0.38 0.19 0.93 -1.64 0.00 0.00 178.16 177.25 1n5x h GLU 1092N -0.21 0.35 -0.13 1.82 4.39 -0.98 -1.46 114.58 118.36 1n5x h GLU 1092Ca 0.20 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1n5x h GLU 1092Cb 0.55 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 1n5x h GLU 1092CO -0.61 0.23 -0.11 0.00 -1.16 0.00 0.00 179.01 177.36 1n5x h ALA 1093N 1.39 -0.01 -0.88 3.43 0.00 -0.54 -1.23 119.26 121.42 1n5x h ALA 1093Ca 0.28 0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.43 1n5x h ALA 1093Cb 0.34 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1n5x h ALA 1093CO -0.30 -0.56 0.58 0.00 0.00 0.00 0.00 179.25 178.97 1n5x h GLN 1095N 0.44 0.01 -0.65 0.00 1.08 -0.39 0.30 115.11 115.91 1n5x h GLN 1095Ca 0.45 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.75 1n5x h GLN 1095Cb 1.07 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.42 1n5x h GLN 1095CO -0.18 0.30 0.26 1.15 -0.95 0.00 0.00 178.83 179.42 1n5x h THR 1096N -0.29 0.77 0.19 -0.54 2.02 -0.72 0.20 112.91 114.54 1n5x h THR 1096Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1n5x h THR 1096Cb 0.30 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1n5x h THR 1096CO 0.00 0.08 -0.17 0.40 0.37 0.00 0.00 175.52 176.20 1n5x h ILE 1097N 0.45 0.63 -0.51 3.11 1.08 -1.08 -0.98 117.51 120.22 1n5x h ILE 1097Ca 0.33 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.84 1n5x h ILE 1097Cb 0.41 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1n5x h ILE 1097CO -0.31 0.00 0.34 -0.07 -0.69 0.00 0.00 178.15 177.42 1n5x h LEU 1098N -0.38 0.45 -0.13 1.44 3.38 0.19 -1.03 115.31 119.23 1n5x h LEU 1098Ca -0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1n5x h LEU 1098Cb 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n5x h LEU 1098CO -0.03 0.30 -0.07 0.50 0.09 0.00 0.00 178.44 179.24 1n5x h LYS 1099N 0.51 0.27 -0.62 1.13 1.63 -0.23 -2.20 116.57 117.05 1n5x h LYS 1099Ca 0.21 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1n5x h LYS 1099Cb 0.20 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1n5x h LYS 1099CO -0.06 0.61 0.30 0.00 -3.45 0.00 0.00 179.45 176.86 1n5x h ARG 1100N -0.08 0.88 0.00 1.90 3.08 -0.60 -2.75 114.38 116.80 1n5x h ARG 1100Ca 0.03 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1n5x h ARG 1100Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1n5x h ARG 1100CO 0.02 0.68 -0.07 1.28 -1.07 0.00 0.00 179.97 180.81 1n5x n LEU 1101N -4.35 0.09 0.24 3.04 4.77 -0.45 -4.34 117.00 116.01 1n5x n LEU 1101Ca 0.06 0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 1n5x n LEU 1101Cb 0.13 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1n5x n LEU 1101CO 0.38 0.01 0.54 -0.33 -1.33 0.00 0.00 177.39 176.66 1n5x h GLU 1102N 0.00 -0.88 -1.47 3.23 4.39 -1.08 -1.77 114.58 117.00 1n5x h GLU 1102Ca 0.00 0.06 0.46 0.00 0.34 0.00 0.00 59.36 60.22 1n5x h GLU 1102Cb 0.51 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.25 1n5x h GLU 1102CO 0.00 -0.59 0.99 -1.35 -1.16 0.00 0.00 179.01 176.91 1n5x h PRO 1103N -0.91 0.06 0.12 2.33 0.11 -1.78 0.54 132.00 132.47 1n5x h PRO 1103Ca -0.04 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.77 1n5x h PRO 1103Cb 0.82 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1n5x h PRO 1103CO -0.12 0.04 -1.43 0.74 -0.21 0.00 0.00 178.00 177.02 1n5x h PHE 1104N 0.06 0.45 -0.53 0.65 -1.00 -1.70 -1.99 116.94 112.88 1n5x h PHE 1104Ca 0.83 -0.33 -0.08 0.00 2.81 0.00 0.00 57.97 61.20 1n5x h PHE 1104Cb 2.84 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 42.36 1n5x h PHE 1104CO -0.00 1.33 0.01 -0.22 -1.61 0.00 0.00 178.31 177.81 1n5x h LYS 1105N 0.07 0.89 0.61 1.51 3.64 0.84 -1.37 116.57 122.76 1n5x h LYS 1105Ca -0.20 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1n5x h LYS 1105Cb 2.00 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.73 1n5x h LYS 1105CO 0.17 0.89 -0.29 0.87 -2.27 0.00 0.00 179.45 178.82 1n5x h LYS 1106N 0.83 -0.78 -0.54 1.90 1.57 -1.03 0.04 116.57 118.56 1n5x h LYS 1106Ca 0.16 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.15 1n5x h LYS 1106Cb 0.49 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1n5x h LYS 1106CO 0.02 -0.47 0.61 0.87 -0.57 0.00 0.00 179.45 179.91 1n5x h LYS 1107N -1.09 0.00 -1.75 3.15 1.57 -1.25 -3.17 116.57 114.03 1n5x h LYS 1107Ca -0.08 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.21 1n5x h LYS 1107Cb 0.67 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.62 1n5x h LYS 1107CO 0.14 0.00 -1.07 -1.71 -0.57 0.00 0.00 179.45 176.24 1n5x n ASN 1108N -3.59 0.09 -0.26 0.86 4.05 -0.53 -5.00 115.26 110.89 1n5x n ASN 1108Ca 0.11 -2.92 0.06 0.00 0.45 0.00 0.00 54.58 52.27 1n5x n ASN 1108Cb 0.81 -0.32 0.17 0.00 1.23 0.00 0.00 39.78 41.67 1n5x n ASN 1108CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1n5x h PRO 1109N 3.52 0.11 0.00 1.20 0.11 -0.97 0.11 132.00 136.08 1n5x h PRO 1109Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1n5x h PRO 1109Cb 0.94 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1n5x h PRO 1109CO 0.45 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 1n5x n ASP 1110N -5.33 0.00 -4.61 -2.05 8.00 -1.26 -4.87 116.55 106.42 1n5x n ASP 1110Ca 0.14 0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.42 1n5x n ASP 1110Cb 0.48 -0.32 0.19 0.00 -0.02 0.00 0.00 41.12 41.46 1n5x n ASP 1110CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1n5x s GLY 1111N -2.64 1.56 0.60 0.44 0.00 0.36 -5.07 107.32 102.57 1n5x s GLY 1111Ca 0.18 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.56 1n5x s GLY 1111CO 0.33 0.27 0.83 -1.35 0.00 0.00 0.00 173.10 173.18 1n5x s SER 1112N -3.33 4.95 0.17 1.64 1.04 -1.26 -4.96 113.70 111.94 1n5x s SER 1112Ca 0.66 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.53 1n5x s SER 1112Cb -0.19 -0.20 0.06 0.00 0.10 0.00 0.00 66.02 65.78 1n5x s SER 1112CO 0.59 -1.40 1.75 -0.25 0.98 0.00 0.00 173.24 174.91 1n5x h TRP 1113N -0.03 0.79 -0.83 5.02 2.91 -1.99 -2.36 115.95 119.46 1n5x h TRP 1113Ca -0.36 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 59.64 1n5x h TRP 1113Cb 1.28 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 1n5x h TRP 1113CO 0.19 0.61 0.55 0.93 -1.03 0.00 0.00 178.44 179.69 1n5x h GLU 1114N 0.74 1.07 0.12 2.65 3.07 -1.94 -1.23 114.58 119.06 1n5x h GLU 1114Ca 0.19 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1n5x h GLU 1114Cb 0.11 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1n5x h GLU 1114CO -0.02 0.71 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.75 1n5x h ASP 1115N 1.10 -0.28 -0.66 1.42 3.32 -1.82 -1.81 116.42 117.69 1n5x h ASP 1115Ca 0.31 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 1n5x h ASP 1115Cb -0.09 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1n5x h ASP 1115CO -0.08 -0.17 0.37 -0.50 -1.72 0.00 0.00 179.24 177.15 1n5x h TRP 1116N -0.24 0.90 0.02 4.55 6.55 -1.10 -0.72 115.95 125.91 1n5x h TRP 1116Ca 0.00 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.83 1n5x h TRP 1116Cb 0.23 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 1n5x h TRP 1116CO -0.11 0.63 -0.04 0.28 -1.05 0.00 0.00 178.44 178.16 1n5x h VAL 1117N 0.90 0.91 -0.66 1.49 2.07 -1.09 -0.30 116.25 119.57 1n5x h VAL 1117Ca 0.23 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.78 1n5x h VAL 1117Cb 0.02 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1n5x h VAL 1117CO -0.04 0.00 0.41 -0.03 0.02 0.00 0.00 177.57 177.93 1n5x h MET 1118N -0.07 0.79 -0.67 1.57 1.85 -1.17 -0.14 114.93 117.09 1n5x h MET 1118Ca 0.01 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1n5x h MET 1118Cb 0.08 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 1n5x h MET 1118CO -0.03 0.52 0.43 0.00 -0.40 0.00 0.00 176.91 177.44 1n5x h ALA 1119N 1.28 1.50 -0.13 0.39 0.00 -0.77 -0.31 119.26 121.23 1n5x h ALA 1119Ca 0.27 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1n5x h ALA 1119Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1n5x h ALA 1119CO -0.10 0.45 -0.66 0.00 0.00 0.00 0.00 179.25 178.94 1n5x h ALA 1120N 1.57 0.61 -0.20 0.00 0.00 -0.17 -1.54 119.26 119.54 1n5x h ALA 1120Ca 0.24 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1n5x h ALA 1120Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n5x h ALA 1120CO -0.05 0.72 0.05 -0.92 0.00 0.00 0.00 179.25 179.05 1n5x h TYR 1121N 0.37 0.33 -0.56 0.00 3.20 -0.27 0.15 116.97 120.19 1n5x h TYR 1121Ca -0.02 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.84 1n5x h TYR 1121Cb 1.22 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 1n5x h TYR 1121CO 0.05 0.43 0.34 1.96 -1.64 0.00 0.00 178.16 179.30 1n5x h GLN 1122N 0.13 0.64 -0.27 1.82 1.08 -1.05 -0.39 115.11 117.07 1n5x h GLN 1122Ca 0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1n5x h GLN 1122Cb 0.27 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1n5x h GLN 1122CO 0.00 0.42 0.00 -3.47 -0.95 0.00 0.00 178.83 174.83 1n5x n ASP 1123N -4.77 0.27 -3.75 1.46 2.03 -0.58 -4.85 116.55 106.36 1n5x n ASP 1123Ca 0.05 -1.71 -0.23 0.00 0.52 0.00 0.00 54.79 53.42 1n5x n ASP 1123Cb 0.09 -0.14 0.02 0.00 -0.72 0.00 0.00 41.12 40.37 1n5x n ASP 1123CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1n5x n ARG 1124N -0.32 -4.21 -4.08 -0.67 1.74 -0.15 -4.99 116.66 103.98 1n5x n ARG 1124Ca 0.00 0.56 -0.35 0.00 -0.77 0.00 0.00 57.85 57.29 1n5x n ARG 1124Cb 0.07 -4.96 -0.12 0.00 -1.02 0.00 0.00 32.46 26.43 1n5x n ARG 1124CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n5x s VAL 1125N -3.73 4.24 0.22 1.55 1.01 0.52 -5.03 120.40 119.18 1n5x s VAL 1125Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 1n5x s VAL 1125Cb -0.01 -2.91 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 1n5x s VAL 1125CO 0.83 0.44 1.66 -0.55 0.00 0.00 0.00 175.10 177.48 1n5x s SER 1126N 0.77 6.41 -0.36 3.32 0.15 -1.26 -4.38 113.70 118.36 1n5x s SER 1126Ca 0.01 2.85 0.07 0.00 0.70 0.00 0.00 55.95 59.58 1n5x s SER 1126Cb -0.14 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.15 1n5x s SER 1126CO 0.02 -0.93 1.67 0.18 1.20 0.00 0.00 173.24 175.37 1n5x n LEU 1127N 3.50 5.28 -3.76 3.45 4.77 -1.26 -4.92 117.00 124.06 1n5x n LEU 1127Ca 0.13 -3.69 -0.21 0.00 -0.03 0.00 0.00 56.01 52.21 1n5x n LEU 1127Cb 0.36 -0.72 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 1n5x n LEU 1127CO 0.63 1.16 -0.37 -0.55 -1.33 0.00 0.00 177.39 176.93 1n5x s SER 1128N -1.98 1.31 0.13 -1.43 0.15 -1.26 -1.19 113.70 109.44 1n5x s SER 1128Ca 0.50 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 1n5x s SER 1128Cb 0.44 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1n5x s SER 1128CO 0.05 -0.19 0.12 0.28 1.20 0.00 0.00 173.24 174.70 1n5x s THR 1129N 1.84 0.10 0.35 6.45 -1.32 -0.82 -5.01 115.64 117.23 1n5x s THR 1129Ca 0.02 -1.73 0.07 0.00 -1.21 0.00 0.00 61.69 58.84 1n5x s THR 1129Cb -0.12 -1.93 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 1n5x s THR 1129CO -0.04 -0.46 0.43 0.42 -2.21 0.00 0.00 174.62 172.76 1n5x s THR 1130N -4.01 3.70 0.03 5.08 -4.23 -1.26 -1.64 115.64 113.31 1n5x s THR 1130Ca 0.20 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1n5x s THR 1130Cb 0.06 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 1n5x s THR 1130CO 0.00 -0.13 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.06 1n5x s GLY 1131N -4.15 0.39 0.08 3.99 0.00 0.73 -4.25 107.32 104.11 1n5x s GLY 1131Ca 0.46 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 44.36 1n5x s GLY 1131CO 0.30 -0.71 0.37 -0.12 0.00 0.00 0.00 173.10 172.93 1n5x s PHE 1132N -1.31 -0.17 -0.10 1.90 5.36 -1.25 -1.39 117.98 121.02 1n5x s PHE 1132Ca -0.11 -0.03 -0.15 0.00 -0.96 0.00 0.00 56.93 55.68 1n5x s PHE 1132Cb -0.09 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 1n5x s PHE 1132CO -0.00 -0.61 0.38 -0.47 -1.46 0.00 0.00 175.22 173.06 1n5x s TYR 1133N -3.13 -0.36 -0.07 10.12 5.04 -0.38 -4.49 117.35 124.08 1n5x s TYR 1133Ca -0.01 0.80 -0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1n5x s TYR 1133Cb 0.01 0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.48 1n5x s TYR 1133CO -0.07 -0.28 -0.03 0.50 -1.34 0.00 0.00 175.55 174.33 1n5x s ARG 1134N -0.35 0.88 -0.05 4.97 3.52 -1.26 -1.58 118.95 125.08 1n5x s ARG 1134Ca -0.05 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 1n5x s ARG 1134Cb -0.03 -1.08 -0.04 0.00 -1.56 0.00 0.00 34.95 32.24 1n5x s ARG 1134CO 0.02 -0.23 1.35 0.99 -0.81 0.00 0.00 175.30 176.62 1n5x s THR 1135N 1.62 3.95 0.65 4.11 2.01 -0.54 -4.99 115.64 122.45 1n5x s THR 1135Ca 0.00 1.27 -0.15 0.00 0.31 0.00 0.00 61.69 63.12 1n5x s THR 1135Cb -0.13 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 1n5x s THR 1135CO -0.04 -0.04 1.10 -2.16 -0.69 0.00 0.00 174.62 172.80 1n5x s PRO 1136N 2.74 2.86 -1.26 4.92 0.04 -1.26 -4.42 135.00 138.62 1n5x s PRO 1136Ca 0.61 1.36 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 1n5x s PRO 1136Cb -0.28 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1n5x s PRO 1136CO 0.23 -1.20 0.61 0.09 0.04 0.00 0.00 177.00 176.78 1n5x n ASN 1137N -2.39 -3.24 -4.32 6.66 3.02 -1.26 -4.95 115.26 108.78 1n5x n ASN 1137Ca 0.10 -1.10 -0.27 0.00 -0.03 0.00 0.00 54.58 53.28 1n5x n ASN 1137Cb 0.52 -2.79 -0.14 0.00 -0.61 0.00 0.00 39.78 36.77 1n5x n ASN 1137CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n5x s LEU 1138N -6.90 2.24 0.00 3.41 1.43 -1.26 -4.55 118.68 113.05 1n5x s LEU 1138Ca 0.32 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1n5x s LEU 1138Cb -0.13 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1n5x s LEU 1138CO 0.90 0.17 0.00 0.61 0.23 0.00 0.00 176.35 178.26 1n5x n GLY 1139N 1.42 0.99 3.91 -3.19 0.00 0.09 -4.94 105.19 103.48 1n5x n GLY 1139Ca -0.18 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1n5x n GLY 1139CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n5x s TYR 1140N 0.00 3.53 -0.09 1.61 5.04 -0.85 -3.92 117.35 122.67 1n5x s TYR 1140Ca 0.00 0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.96 1n5x s TYR 1140Cb 0.00 -1.79 0.00 0.00 0.35 0.00 0.00 41.96 40.53 1n5x s TYR 1140CO 0.00 0.61 -0.20 0.45 -1.34 0.00 0.00 175.55 175.07 1n5x s SER 1141N -2.31 2.64 0.33 4.32 0.15 0.21 -4.97 113.70 114.07 1n5x s SER 1141Ca 0.32 -0.47 0.26 0.00 0.70 0.00 0.00 55.95 56.76 1n5x s SER 1141Cb -0.13 -1.21 0.81 0.00 -1.71 0.00 0.00 66.02 63.78 1n5x s SER 1141CO 0.25 0.11 1.75 -0.26 1.20 0.00 0.00 173.24 176.30 1n5x h PHE 1142N 6.82 0.00 -0.25 3.44 -1.00 -1.92 -0.21 116.94 123.81 1n5x h PHE 1142Ca -0.23 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.42 1n5x h PHE 1142Cb 1.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.77 1n5x h PHE 1142CO 0.48 0.00 -0.37 0.93 -1.61 0.00 0.00 178.31 177.74 1n5x h GLU 1143N 0.00 0.57 0.00 1.51 4.39 -1.93 -3.30 114.58 115.82 1n5x h GLU 1143Ca 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1n5x h GLU 1143Cb 0.69 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1n5x h GLU 1143CO 0.00 0.86 -0.08 0.25 -1.16 0.00 0.00 179.01 178.88 1n5x n THR 1144N -4.05 0.97 -3.92 1.13 -2.24 -1.18 -5.01 114.28 99.98 1n5x n THR 1144Ca -0.01 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.39 1n5x n THR 1144Cb 0.50 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1n5x n THR 1144CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1n5x n ASN 1145N -0.65 -0.96 -3.98 3.42 4.05 -0.10 -4.91 115.26 112.13 1n5x n ASN 1145Ca 0.05 -0.96 -0.10 0.00 0.45 0.00 0.00 54.58 54.02 1n5x n ASN 1145Cb 0.49 -1.18 -0.07 0.00 1.23 0.00 0.00 39.78 40.26 1n5x n ASN 1145CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1n5x s SER 1146N -3.98 0.02 0.00 1.20 1.04 -1.15 -4.51 113.70 106.33 1n5x s SER 1146Ca 0.17 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1n5x s SER 1146Cb -0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1n5x s SER 1146CO 0.74 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1n5x n GLY 1147N -0.25 -0.06 3.78 7.32 0.00 -1.26 -0.62 105.19 114.10 1n5x n GLY 1147Ca -0.06 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1n5x n GLY 1147CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n5x s ASN 1148N -0.72 6.21 -0.11 1.61 0.01 -1.25 -4.04 114.94 116.65 1n5x s ASN 1148Ca 0.00 3.04 0.09 0.00 -0.71 0.00 0.00 52.86 55.28 1n5x s ASN 1148Cb 0.00 -2.67 -0.13 0.00 0.41 0.00 0.00 41.25 38.87 1n5x s ASN 1148CO 0.00 -0.96 0.03 0.00 -1.51 0.00 0.00 177.10 174.65 1n5x n ALA 1149N 0.29 1.74 -2.45 0.60 0.00 -1.26 -0.73 120.51 118.69 1n5x n ALA 1149Ca 0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 1n5x n ALA 1149Cb 0.40 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1n5x n ALA 1149CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1n5x s PHE 1150N -2.26 1.73 0.13 0.00 0.40 -1.26 -4.74 117.98 111.98 1n5x s PHE 1150Ca -0.06 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 1n5x s PHE 1150Cb 0.03 -0.86 -0.16 0.00 0.51 0.00 0.00 43.02 42.54 1n5x s PHE 1150CO 0.43 0.30 1.29 1.25 0.70 0.00 0.00 175.22 179.19 1n5x h HIS 1151N 3.22 0.13 -2.03 0.36 -0.00 -1.42 -3.48 115.15 111.92 1n5x h HIS 1151Ca -0.41 -0.09 0.18 0.00 -0.00 0.00 0.00 60.37 60.05 1n5x h HIS 1151Cb 1.21 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.57 1n5x h HIS 1151CO 0.68 1.02 0.53 2.48 -0.00 0.00 0.00 177.93 182.64 1n5x n TYR 1152N -3.46 -0.67 -4.68 5.26 0.18 -1.25 -5.03 117.16 107.52 1n5x n TYR 1152Ca -0.02 -0.67 -0.25 0.00 1.88 0.00 0.00 57.90 58.85 1n5x n TYR 1152Cb 0.92 0.32 -0.14 0.00 -0.38 0.00 0.00 39.34 40.05 1n5x n TYR 1152CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1n5x s PHE 1153N -2.78 1.69 -0.16 -3.48 0.40 -1.26 -1.11 117.98 111.27 1n5x s PHE 1153Ca 0.19 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.08 1n5x s PHE 1153Cb -0.01 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 1n5x s PHE 1153CO 0.01 0.05 0.12 0.99 0.70 0.00 0.00 175.22 177.09 1n5x s THR 1154N -0.69 5.29 0.31 0.64 2.01 -0.62 -4.89 115.64 117.68 1n5x s THR 1154Ca 0.07 0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.31 1n5x s THR 1154Cb -0.08 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 1n5x s THR 1154CO 0.01 0.53 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.03 1n5x s TYR 1155N -0.29 2.39 -0.26 4.92 1.51 -1.26 -0.65 117.35 123.71 1n5x s TYR 1155Ca 0.11 -0.40 -0.32 0.00 -1.01 0.00 0.00 57.07 55.45 1n5x s TYR 1155Cb -0.12 -1.21 0.17 0.00 -0.11 0.00 0.00 41.96 40.70 1n5x s TYR 1155CO 0.01 0.64 1.31 0.20 -1.11 0.00 0.00 175.55 176.60 1n5x s GLY 1156N -3.58 -0.05 -0.00 0.71 0.00 -0.97 -1.10 107.32 102.32 1n5x s GLY 1156Ca 0.32 2.42 0.03 0.00 0.00 0.00 0.00 44.72 47.49 1n5x s GLY 1156CO 0.16 0.93 -0.11 0.14 0.00 0.00 0.00 173.10 174.22 1n5x s VAL 1157N -1.43 0.88 -0.01 1.40 1.01 -0.36 -1.01 120.40 120.88 1n5x s VAL 1157Ca 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1n5x s VAL 1157Cb -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1n5x s VAL 1157CO -0.06 0.20 -0.10 0.00 0.00 0.00 0.00 175.10 175.15 1n5x s ALA 1158N -0.35 0.83 -0.20 5.51 0.00 0.42 -1.23 121.76 126.74 1n5x s ALA 1158Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1n5x s ALA 1158Cb -0.05 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.90 1n5x s ALA 1158CO -0.00 0.20 -0.07 0.00 0.00 0.00 0.00 175.76 175.89 1n5x s SER 1160N 1.48 3.76 -0.04 0.00 0.01 -0.79 -0.26 113.70 117.86 1n5x s SER 1160Ca -0.02 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1n5x s SER 1160Cb -0.17 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.65 1n5x s SER 1160CO -0.08 0.11 -0.02 -0.70 0.41 0.00 0.00 173.24 172.97 1n5x s GLU 1161N -2.80 0.53 0.41 12.44 2.12 -0.31 -1.82 118.70 129.27 1n5x s GLU 1161Ca 0.23 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.61 1n5x s GLU 1161Cb -0.08 -0.67 -0.05 0.00 0.26 0.00 0.00 34.13 33.59 1n5x s GLU 1161CO 0.12 -0.14 0.05 0.14 -0.54 0.00 0.00 175.26 174.90 1n5x s VAL 1162N 1.11 1.23 -0.05 3.70 -7.23 -0.30 -1.03 120.40 117.82 1n5x s VAL 1162Ca -0.08 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1n5x s VAL 1162Cb -0.14 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 34.26 1n5x s VAL 1162CO -0.01 0.00 0.09 -0.70 -0.31 0.00 0.00 175.10 174.16 1n5x s GLU 1163N -3.80 -0.04 0.23 4.82 2.12 -0.93 -1.18 118.70 119.91 1n5x s GLU 1163Ca 0.26 0.42 0.06 0.00 0.36 0.00 0.00 54.97 56.07 1n5x s GLU 1163Cb 0.06 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 1n5x s GLU 1163CO 0.13 -0.31 0.19 0.96 -0.54 0.00 0.00 175.26 175.68 1n5x s ILE 1164N 2.14 4.50 -0.54 -3.70 -4.36 0.19 -1.33 121.20 118.11 1n5x s ILE 1164Ca 0.04 -1.30 -0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1n5x s ILE 1164Cb -0.12 -3.40 0.14 0.00 1.25 0.00 0.00 42.46 40.33 1n5x s ILE 1164CO -0.04 -0.29 0.37 -0.62 0.24 0.00 0.00 174.94 174.60 1n5x s ASP 1165N -3.67 5.49 0.00 4.36 -1.08 -0.29 -2.51 116.67 118.98 1n5x s ASP 1165Ca 0.32 -2.34 0.00 0.00 -0.52 0.00 0.00 52.55 50.01 1n5x s ASP 1165Cb -0.08 -1.92 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 1n5x s ASP 1165CO 0.25 -0.53 0.45 0.00 0.52 0.00 0.00 175.17 175.86 1n5x n LEU 1167N -0.95 0.17 0.00 0.00 4.77 -1.26 -4.77 117.00 114.96 1n5x n LEU 1167Ca 0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1n5x n LEU 1167Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1n5x n LEU 1167CO 0.00 0.04 -0.42 0.35 -1.33 0.00 0.00 177.39 176.03 1n5x n THR 1168N -1.76 0.00 0.00 -5.08 -2.24 -0.55 -4.75 114.28 99.90 1n5x n THR 1168Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1n5x n THR 1168Cb 0.30 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1n5x n THR 1168CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5x n GLY 1169N 2.80 0.92 3.81 3.38 0.00 -0.36 -4.76 105.19 110.98 1n5x n GLY 1169Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1n5x n GLY 1169CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n5x s ASP 1170N -1.90 4.90 0.18 1.61 2.15 -1.26 -4.12 116.67 118.23 1n5x s ASP 1170Ca 0.00 1.45 -0.21 0.00 0.43 0.00 0.00 52.55 54.22 1n5x s ASP 1170Cb 0.00 -2.25 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1n5x s ASP 1170CO 0.00 -1.73 0.59 -1.38 -0.17 0.00 0.00 175.17 172.48 1n5x s HIS 1171N -3.11 -0.39 -0.02 -5.34 -3.43 -1.26 -1.14 115.29 100.61 1n5x s HIS 1171Ca 0.59 0.10 0.03 0.00 -0.80 0.00 0.00 55.06 54.99 1n5x s HIS 1171Cb -0.14 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.53 1n5x s HIS 1171CO 0.55 -0.91 -0.11 -1.59 -2.00 0.00 0.00 174.74 170.68 1n5x s LYS 1172N -3.80 0.97 -0.32 -0.38 -2.85 -0.44 -4.98 119.74 107.94 1n5x s LYS 1172Ca 0.04 -0.39 -0.26 0.00 -1.00 0.00 0.00 55.97 54.37 1n5x s LYS 1172Cb -0.02 -0.92 0.01 0.00 -2.06 0.00 0.00 37.83 34.84 1n5x s LYS 1172CO -0.08 0.21 0.90 -0.80 0.10 0.00 0.00 175.35 175.67 1n5x s ASN 1173N -0.13 6.76 -0.10 0.03 0.01 -1.26 -2.19 114.94 118.06 1n5x s ASN 1173Ca 0.02 0.78 -0.27 0.00 -0.71 0.00 0.00 52.86 52.68 1n5x s ASN 1173Cb -0.06 -2.46 -0.26 0.00 0.41 0.00 0.00 41.25 38.89 1n5x s ASN 1173CO -0.00 -0.73 0.87 -0.07 -1.51 0.00 0.00 177.10 175.66 1n5x h LEU 1174N 9.72 0.10 -7.00 0.60 3.38 -1.42 -0.80 115.31 119.89 1n5x h LEU 1174Ca -0.23 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 56.80 1n5x h LEU 1174Cb 1.08 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 1n5x h LEU 1174CO 0.94 1.00 0.20 -0.60 0.09 0.00 0.00 178.44 180.08 1n5x s ARG 1175N -2.56 0.84 0.02 1.13 3.52 -1.20 -1.50 118.95 119.20 1n5x s ARG 1175Ca -0.18 0.75 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 1n5x s ARG 1175Cb -0.02 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 1n5x s ARG 1175CO 0.72 -0.15 -0.09 0.99 -0.81 0.00 0.00 175.30 175.96 1n5x s THR 1176N -0.05 0.65 -0.08 4.11 2.01 -0.30 -1.16 115.64 120.81 1n5x s THR 1176Ca -0.02 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1n5x s THR 1176Cb -0.04 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1n5x s THR 1176CO 0.02 -0.08 -0.07 -1.81 -0.69 0.00 0.00 174.62 171.99 1n5x s ASP 1177N -0.90 1.77 0.01 3.53 1.01 0.64 -2.18 116.67 120.55 1n5x s ASP 1177Ca -0.02 -0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.08 1n5x s ASP 1177Cb -0.06 -0.70 -0.02 0.00 1.01 0.00 0.00 42.92 43.15 1n5x s ASP 1177CO 0.00 -0.09 -0.23 -0.63 0.21 0.00 0.00 175.17 174.43 1n5x s ILE 1178N 1.39 1.84 -0.18 0.77 1.01 -0.09 -0.14 121.20 125.81 1n5x s ILE 1178Ca -0.02 -1.11 -0.02 0.00 0.00 0.00 0.00 60.65 59.50 1n5x s ILE 1178Cb -0.13 -1.56 0.05 0.00 0.01 0.00 0.00 42.46 40.83 1n5x s ILE 1178CO -0.04 0.42 0.00 -0.69 0.00 0.00 0.00 174.94 174.63 1n5x s VAL 1179N -0.65 0.74 0.08 2.92 1.01 -0.37 -0.86 120.40 123.27 1n5x s VAL 1179Ca 0.09 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1n5x s VAL 1179Cb -0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1n5x s VAL 1179CO 0.00 -0.08 -0.12 -0.32 0.00 0.00 0.00 175.10 174.59 1n5x s MET 1180N 1.77 2.14 -0.68 2.72 1.75 0.62 -1.23 119.30 126.38 1n5x s MET 1180Ca -0.01 -0.99 -0.08 0.00 -1.25 0.00 0.00 55.69 53.37 1n5x s MET 1180Cb -0.16 -2.29 0.18 0.00 2.84 0.00 0.00 34.83 35.39 1n5x s MET 1180CO -0.07 0.52 0.55 0.34 -0.65 0.00 0.00 175.02 175.71 1n5x s ASP 1181N -1.95 5.85 0.00 1.11 2.15 -0.26 0.51 116.67 124.09 1n5x s ASP 1181Ca 0.19 -2.69 0.24 0.00 0.43 0.00 0.00 52.55 50.71 1n5x s ASP 1181Cb -0.11 -2.00 0.52 0.00 -0.30 0.00 0.00 42.92 41.03 1n5x s ASP 1181CO 0.11 -0.48 1.44 1.33 -0.17 0.00 0.00 175.17 177.40 1n5x n VAL 1182N 3.82 0.24 -4.26 1.11 0.24 -1.26 -3.99 118.33 114.22 1n5x n VAL 1182Ca 0.08 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1n5x n VAL 1182Cb 0.41 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1n5x n VAL 1182CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n5x n GLY 1183N 1.34 0.93 3.52 7.63 0.00 -1.26 -1.22 105.19 116.13 1n5x n GLY 1183Ca 0.17 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1n5x n GLY 1183CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5x s SER 1184N -4.00 6.35 0.32 1.61 0.01 0.41 -4.77 113.70 113.64 1n5x s SER 1184Ca 0.00 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 1n5x s SER 1184Cb 0.00 -2.42 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 1n5x s SER 1184CO 0.00 -1.17 1.29 -0.55 0.41 0.00 0.00 173.24 173.23 1n5x s SER 1185N 2.72 6.82 0.13 2.44 0.15 -1.26 -2.62 113.70 122.08 1n5x s SER 1185Ca 0.30 2.64 0.09 0.00 0.70 0.00 0.00 55.95 59.68 1n5x s SER 1185Cb -0.13 -2.65 -0.17 0.00 -1.71 0.00 0.00 66.02 61.36 1n5x s SER 1185CO 0.20 -0.50 1.26 -0.07 1.20 0.00 0.00 173.24 175.32 1n5x h LEU 1186N 3.51 0.00 -6.13 3.45 3.38 -1.92 -3.27 115.31 114.34 1n5x h LEU 1186Ca -0.49 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 1n5x h LEU 1186Cb 1.22 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.74 1n5x h LEU 1186CO 0.66 0.93 -0.50 0.21 0.09 0.00 0.00 178.44 179.83 1n5x s ASN 1187N -6.63 -0.68 0.14 -0.43 3.84 -1.26 -0.52 114.94 109.40 1n5x s ASN 1187Ca 0.01 -0.65 0.09 0.00 0.21 0.00 0.00 52.86 52.53 1n5x s ASN 1187Cb 0.10 1.55 0.51 0.00 -0.55 0.00 0.00 41.25 42.86 1n5x s ASN 1187CO 0.81 -0.25 1.28 -0.81 -2.79 0.00 0.00 177.10 175.34 1n5x n PRO 1188N 4.78 0.06 0.01 0.43 -0.04 -1.26 -0.86 135.00 138.12 1n5x n PRO 1188Ca 0.08 0.55 -0.21 0.00 -0.04 0.00 0.00 63.50 63.88 1n5x n PRO 1188Cb 0.53 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 1n5x n PRO 1188CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5x h ALA 1189N 1.95 0.13 -0.16 0.55 0.00 -1.86 -3.35 119.26 116.52 1n5x h ALA 1189Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 1n5x h ALA 1189Cb 0.03 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n5x h ALA 1189CO 0.00 0.71 0.03 0.82 0.00 0.00 0.00 179.25 180.81 1n5x h ILE 1190N -0.38 1.22 -3.57 0.00 1.08 -1.61 -3.01 117.51 111.24 1n5x h ILE 1190Ca -0.27 -0.70 -0.60 0.00 -0.39 0.00 0.00 64.86 62.90 1n5x h ILE 1190Cb 1.69 1.37 -0.10 0.00 -3.07 0.00 0.00 36.82 36.70 1n5x h ILE 1190CO 0.06 0.21 0.55 -1.81 -0.69 0.00 0.00 178.15 176.46 1n5x s ASP 1191N -5.70 6.58 0.00 1.72 1.01 -0.04 -1.05 116.67 119.19 1n5x s ASP 1191Ca -0.14 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.45 1n5x s ASP 1191Cb 0.06 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1n5x s ASP 1191CO 0.71 -0.91 0.00 -0.38 0.21 0.00 0.00 175.17 174.80 1n5x n ILE 1192N 6.12 0.00 0.12 0.77 5.41 -1.26 -4.50 119.36 126.03 1n5x n ILE 1192Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.79 1n5x n ILE 1192Cb 0.48 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.49 1n5x n ILE 1192CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1n5x h GLY 1193N 0.00 0.00 1.65 7.39 0.00 -1.33 0.45 103.07 111.23 1n5x h GLY 1193Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1n5x h GLY 1193CO 0.00 0.00 -1.16 1.46 0.00 0.00 0.00 176.54 176.84 1n5x h GLN 1194N 0.00 0.27 -0.03 4.80 1.08 -1.35 -1.14 115.11 118.74 1n5x h GLN 1194Ca -0.01 -0.42 -0.03 0.00 -1.45 0.00 0.00 58.65 56.74 1n5x h GLN 1194Cb 1.34 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 1n5x h GLN 1194CO 0.09 1.17 -0.10 0.28 -0.95 0.00 0.00 178.83 179.33 1n5x h VAL 1195N 0.10 1.46 -0.38 -0.54 2.07 -1.76 -1.77 116.25 115.43 1n5x h VAL 1195Ca -0.11 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 1n5x h VAL 1195Cb 1.87 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 34.01 1n5x h VAL 1195CO 0.19 0.41 -0.09 -0.33 0.02 0.00 0.00 177.57 177.77 1n5x h GLU 1196N -0.44 0.65 -0.14 1.57 5.08 -0.18 -1.25 114.58 119.86 1n5x h GLU 1196Ca -0.00 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1n5x h GLU 1196Cb 0.72 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1n5x h GLU 1196CO 0.02 0.73 -0.17 0.78 -1.00 0.00 0.00 179.01 179.38 1n5x h GLY 1197N 0.95 0.40 1.20 -3.84 0.00 -1.23 -2.14 103.07 98.42 1n5x h GLY 1197Ca 0.11 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1n5x h GLY 1197CO 0.03 0.38 -0.09 0.00 0.00 0.00 0.00 176.54 176.85 1n5x h ALA 1198N 0.59 0.87 -0.61 3.60 0.00 -1.30 -2.52 119.26 119.90 1n5x h ALA 1198Ca 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1n5x h ALA 1198Cb 0.71 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1n5x h ALA 1198CO 0.04 0.65 0.38 0.35 0.00 0.00 0.00 179.25 180.67 1n5x h PHE 1199N 0.84 0.72 -0.21 0.00 3.57 -1.21 -1.07 116.94 119.59 1n5x h PHE 1199Ca 0.14 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1n5x h PHE 1199Cb 0.63 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1n5x h PHE 1199CO 0.04 0.43 -0.38 0.28 -2.23 0.00 0.00 178.31 176.45 1n5x h VAL 1200N 0.77 1.30 0.00 1.41 2.07 -1.23 -0.93 116.25 119.64 1n5x h VAL 1200Ca 0.23 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1n5x h VAL 1200Cb -0.03 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1n5x h VAL 1200CO -0.08 0.47 -0.03 1.56 0.02 0.00 0.00 177.57 179.51 1n5x h GLN 1201N 0.39 0.00 0.11 1.57 4.20 -1.06 -0.96 115.11 119.36 1n5x h GLN 1201Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1n5x h GLN 1201Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1n5x h GLN 1201CO 0.07 0.03 -0.05 0.78 -0.67 0.00 0.00 178.83 178.98 1n5x h GLY 1202N 2.01 -0.16 1.74 3.46 0.00 -0.32 -2.14 103.07 107.66 1n5x h GLY 1202Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1n5x h GLY 1202CO 0.00 -0.06 0.11 0.17 0.00 0.00 0.00 176.54 176.77 1n5x h LEU 1203N -0.97 0.00 -0.12 3.11 8.10 -1.08 0.13 115.31 124.48 1n5x h LEU 1203Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.92 1n5x h LEU 1203Cb 0.43 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1n5x h LEU 1203CO 0.03 0.00 -0.12 1.23 -4.11 0.00 0.00 178.44 175.46 1n5x h GLY 1204N 0.00 0.33 1.01 0.17 0.00 -1.14 -1.71 103.07 101.74 1n5x h GLY 1204Ca 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1n5x h GLY 1204CO -0.00 0.30 0.21 -2.00 0.00 0.00 0.00 176.54 175.05 1n5x h LEU 1205N -0.09 0.91 0.00 3.11 5.85 -0.10 0.22 115.31 125.22 1n5x h LEU 1205Ca 0.02 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1n5x h LEU 1205Cb 0.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1n5x h LEU 1205CO 0.03 0.87 -0.43 -0.26 -0.34 0.00 0.00 178.44 178.31 1n5x h PHE 1206N 0.90 0.00 0.00 1.25 0.05 -1.26 -3.38 116.94 114.50 1n5x h PHE 1206Ca 0.20 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.99 1n5x h PHE 1206Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.23 1n5x h PHE 1206CO 0.02 0.00 -0.03 0.25 -0.18 0.00 0.00 178.31 178.36 1n5x n THR 1207N -2.55 0.00 0.00 -1.55 -2.24 -0.64 0.14 114.28 107.43 1n5x n THR 1207Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1n5x n THR 1207Cb 0.49 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1n5x n THR 1207CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1n5x n LEU 1208N 0.00 0.00 -4.71 3.22 7.94 -0.65 -4.46 117.00 118.34 1n5x n LEU 1208Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1n5x n LEU 1208Cb 0.51 0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.54 1n5x n LEU 1208CO 0.00 -0.19 0.61 -1.61 -1.11 0.00 0.00 177.39 175.09 1n5x s GLU 1209N -1.39 4.49 -0.20 1.96 2.02 0.70 -4.54 118.70 121.74 1n5x s GLU 1209Ca 0.00 1.24 -0.10 0.00 0.02 0.00 0.00 54.97 56.13 1n5x s GLU 1209Cb 0.00 -3.47 0.07 0.00 0.10 0.00 0.00 34.13 30.83 1n5x s GLU 1209CO 0.00 -0.07 0.47 -2.00 0.02 0.00 0.00 175.26 173.68 1n5x s GLU 1210N 1.15 0.44 -0.03 1.61 2.12 -1.26 -4.66 118.70 118.07 1n5x s GLU 1210Ca 0.47 0.94 -0.05 0.00 0.36 0.00 0.00 54.97 56.69 1n5x s GLU 1210Cb -0.19 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 1n5x s GLU 1210CO 0.23 -0.18 0.19 -0.51 -0.54 0.00 0.00 175.26 174.45 1n5x s LEU 1211N 1.74 4.38 -0.01 2.70 1.43 -1.26 -4.86 118.68 122.78 1n5x s LEU 1211Ca -0.08 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1n5x s LEU 1211Cb -0.09 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1n5x s LEU 1211CO -0.14 0.30 -0.23 -1.00 0.23 0.00 0.00 176.35 175.50 1n5x s HIS 1212N -1.25 2.07 0.10 0.29 3.76 -1.26 -4.99 115.29 114.02 1n5x s HIS 1212Ca 0.24 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.81 1n5x s HIS 1212Cb -0.13 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 1n5x s HIS 1212CO 0.15 -0.03 -0.13 0.71 -0.85 0.00 0.00 174.74 174.59 1n5x s TYR 1213N -0.56 1.22 0.61 1.40 1.51 -1.26 0.12 117.35 120.40 1n5x s TYR 1213Ca 0.09 -0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 1n5x s TYR 1213Cb -0.09 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1n5x s TYR 1213CO -0.01 0.07 1.03 -1.54 -1.11 0.00 0.00 175.55 173.99 1n5x s SER 1214N -2.24 6.04 0.41 2.29 1.04 0.93 -4.87 113.70 117.30 1n5x s SER 1214Ca 0.04 1.56 0.21 0.00 0.48 0.00 0.00 55.95 58.25 1n5x s SER 1214Cb -0.06 -2.49 1.17 0.00 0.10 0.00 0.00 66.02 64.74 1n5x s SER 1214CO 0.02 -0.99 1.75 -0.65 0.98 0.00 0.00 173.24 174.35 1n5x h PRO 1215N -0.02 0.32 -0.16 4.02 0.11 -2.01 0.15 132.00 134.42 1n5x h PRO 1215Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n5x h PRO 1215Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1n5x h PRO 1215CO 0.60 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1n5x n GLU 1216N -4.62 1.29 -0.52 1.05 0.00 -1.26 -4.89 120.64 111.69 1n5x n GLU 1216Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 57.00 1n5x n GLU 1216Cb 0.97 -1.12 0.00 0.00 0.00 0.00 0.00 31.44 31.30 1n5x n GLU 1216CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n5x n GLY 1217N 0.66 0.69 3.52 -1.84 0.00 0.54 -4.30 105.19 104.46 1n5x n GLY 1217Ca 0.04 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1n5x n GLY 1217CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n5x s SER 1218N -2.41 5.68 0.35 1.61 0.15 -1.23 -4.48 113.70 113.36 1n5x s SER 1218Ca 0.00 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.18 1n5x s SER 1218Cb 0.00 -2.04 -0.11 0.00 -1.71 0.00 0.00 66.02 62.16 1n5x s SER 1218CO 0.00 -0.08 1.51 -0.22 1.20 0.00 0.00 173.24 175.65 1n5x s LEU 1219N 1.69 4.33 -0.25 3.45 2.96 -1.26 -0.05 118.68 129.55 1n5x s LEU 1219Ca 0.06 3.00 -0.13 0.00 -0.22 0.00 0.00 54.13 56.85 1n5x s LEU 1219Cb -0.16 -3.66 -0.15 0.00 0.50 0.00 0.00 46.19 42.72 1n5x s LEU 1219CO 0.08 -0.87 -0.18 1.41 -1.32 0.00 0.00 176.35 175.47 1n5x n HIS 1220N 0.99 0.29 -2.47 5.38 8.25 0.33 -4.86 115.22 123.13 1n5x n HIS 1220Ca 0.03 0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 57.19 1n5x n HIS 1220Cb 0.39 -1.03 -0.03 0.00 1.12 0.00 0.00 29.99 30.44 1n5x n HIS 1220CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1n5x s THR 1221N -2.48 3.75 -0.10 1.59 -4.23 -1.23 -4.85 115.64 108.08 1n5x s THR 1221Ca -0.35 0.53 0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1n5x s THR 1221Cb 0.12 -4.70 0.29 0.00 1.34 0.00 0.00 72.50 69.55 1n5x s THR 1221CO 0.54 -1.54 1.14 0.54 -0.54 0.00 0.00 174.62 174.76 1n5x n ARG 1222N 9.06 0.88 -3.76 3.99 1.74 -1.26 -4.87 116.66 122.44 1n5x n ARG 1222Ca 0.07 -2.34 -0.06 0.00 -0.77 0.00 0.00 57.85 54.75 1n5x n ARG 1222Cb 0.49 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.85 1n5x n ARG 1222CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1n5x s GLY 1223N -2.43 -0.22 0.54 -0.13 0.00 -1.26 -3.01 107.32 100.82 1n5x s GLY 1223Ca 0.27 -0.00 0.36 0.00 0.00 0.00 0.00 44.72 45.35 1n5x s GLY 1223CO -0.04 -0.01 2.10 -0.56 0.00 0.00 0.00 173.10 174.60 1n5x h PRO 1224N 2.00 0.00 0.00 2.90 0.13 -1.96 -0.83 132.00 134.24 1n5x h PRO 1224Ca -0.22 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1n5x h PRO 1224Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1n5x h PRO 1224CO 0.26 0.00 -0.31 0.66 -0.23 0.00 0.00 178.00 178.38 1n5x h SER 1225N 0.00 0.00 -0.00 1.44 4.64 -1.94 -3.27 113.55 114.42 1n5x h SER 1225Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n5x h SER 1225Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1n5x h SER 1225CO 0.00 0.31 -0.03 0.35 -0.87 0.00 0.00 176.83 176.59 1n5x n THR 1226N -3.72 0.00 -3.99 2.95 -2.24 -0.91 -4.22 114.28 102.15 1n5x n THR 1226Ca -0.01 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 1n5x n THR 1226Cb 0.41 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.50 1n5x n THR 1226CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n5x s TYR 1227N -1.06 3.63 -0.54 4.78 5.04 -0.37 -4.88 117.35 123.96 1n5x s TYR 1227Ca 0.00 -2.76 -0.19 0.00 -2.44 0.00 0.00 57.07 51.69 1n5x s TYR 1227Cb 0.01 -2.75 0.08 0.00 0.35 0.00 0.00 41.96 39.64 1n5x s TYR 1227CO 0.03 -0.93 0.64 0.15 -1.34 0.00 0.00 175.55 174.10 1n5x s LYS 1228N 0.98 3.07 0.61 4.97 -0.14 -1.26 -4.38 119.74 123.60 1n5x s LYS 1228Ca 0.06 -1.13 -0.05 0.00 -1.36 0.00 0.00 55.97 53.49 1n5x s LYS 1228Cb -0.20 -4.18 0.02 0.00 -1.68 0.00 0.00 37.83 31.79 1n5x s LYS 1228CO -0.07 -1.36 0.91 0.96 -0.76 0.00 0.00 175.35 175.03 1n5x s ILE 1229N 2.57 3.26 0.19 2.17 -4.36 -1.26 -3.60 121.20 120.16 1n5x s ILE 1229Ca 0.12 -0.15 -0.33 0.00 -0.26 0.00 0.00 60.65 60.04 1n5x s ILE 1229Cb -0.22 -3.31 -0.14 0.00 1.25 0.00 0.00 42.46 40.04 1n5x s ILE 1229CO 0.09 -0.31 1.43 -2.65 0.24 0.00 0.00 174.94 173.74 1n5x n PRO 1230N -2.62 1.90 -3.23 0.37 -0.02 -1.26 -5.00 135.00 125.14 1n5x n PRO 1230Ca 0.05 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1n5x n PRO 1230Cb 0.58 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1n5x n PRO 1230CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n5x s ALA 1231N 0.29 4.67 0.20 3.55 0.00 -1.26 -4.76 121.76 124.46 1n5x s ALA 1231Ca 0.74 -1.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 1n5x s ALA 1231Cb -0.71 -1.28 0.24 0.00 0.00 0.00 0.00 23.12 21.37 1n5x s ALA 1231CO 0.46 -0.80 1.78 0.74 0.00 0.00 0.00 175.76 177.94 1n5x h PHE 1232N 0.28 0.55 0.00 0.00 -1.00 -1.82 -0.70 116.94 114.25 1n5x h PHE 1232Ca -0.31 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1n5x h PHE 1232Cb 1.29 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1n5x h PHE 1232CO 0.57 0.23 0.00 0.41 -1.61 0.00 0.00 178.31 177.91 1n5x n GLY 1233N -1.28 -0.18 0.01 -1.45 0.00 -1.26 -3.67 105.19 97.37 1n5x n GLY 1233Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1n5x n GLY 1233CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n5x n SER 1234N -0.33 0.61 -4.85 1.61 7.64 -0.27 -4.99 113.62 113.05 1n5x n SER 1234Ca 0.00 -0.52 -0.32 0.00 1.01 0.00 0.00 58.87 59.04 1n5x n SER 1234Cb 0.07 1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 64.49 1n5x n SER 1234CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1n5x s ILE 1235N -3.20 4.57 0.14 0.44 -4.36 -1.24 -4.76 121.20 112.79 1n5x s ILE 1235Ca 0.02 1.12 -0.34 0.00 -0.26 0.00 0.00 60.65 61.19 1n5x s ILE 1235Cb 0.15 -3.69 -0.15 0.00 1.25 0.00 0.00 42.46 40.02 1n5x s ILE 1235CO 0.87 -0.55 1.38 -0.81 0.24 0.00 0.00 174.94 176.07 1n5x n PRO 1236N -1.25 1.53 -0.35 0.37 -0.04 -1.26 -4.76 135.00 129.24 1n5x n PRO 1236Ca 0.06 0.55 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1n5x n PRO 1236Cb 0.54 -2.20 0.29 0.00 -0.04 0.00 0.00 33.50 32.09 1n5x n PRO 1236CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1n5x h THR 1237N 3.24 0.82 -3.73 0.52 2.02 -0.90 -3.30 112.91 111.58 1n5x h THR 1237Ca -0.46 -0.30 -0.69 0.00 0.77 0.00 0.00 66.41 65.74 1n5x h THR 1237Cb 1.31 -0.12 -0.31 0.00 -1.74 0.00 0.00 68.15 67.28 1n5x h THR 1237CO 0.79 0.16 -0.66 -1.61 0.37 0.00 0.00 175.52 174.57 1n5x s GLU 1238N -5.88 2.50 -0.36 6.66 2.02 -0.56 -2.44 118.70 120.63 1n5x s GLU 1238Ca -0.11 -1.24 -0.04 0.00 0.02 0.00 0.00 54.97 53.60 1n5x s GLU 1238Cb 0.23 -3.30 0.07 0.00 0.10 0.00 0.00 34.13 31.24 1n5x s GLU 1238CO 0.80 -0.65 0.12 0.12 0.02 0.00 0.00 175.26 175.68 1n5x s PHE 1239N 1.31 3.40 -0.16 1.61 5.99 -1.16 -1.15 117.98 127.82 1n5x s PHE 1239Ca -0.04 -1.98 -0.00 0.00 0.00 0.00 0.00 56.93 54.91 1n5x s PHE 1239Cb -0.20 -2.66 -0.00 0.00 0.00 0.00 0.00 43.02 40.16 1n5x s PHE 1239CO 0.00 -0.86 -0.14 1.03 -0.00 0.00 0.00 175.22 175.25 1n5x s ARG 1240N 1.25 3.24 0.03 10.12 0.52 -0.93 -3.00 118.95 130.20 1n5x s ARG 1240Ca 0.01 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1n5x s ARG 1240Cb -0.21 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1n5x s ARG 1240CO -0.01 0.00 -0.21 0.08 0.02 0.00 0.00 175.30 175.18 1n5x s VAL 1241N 0.86 1.72 -0.05 3.52 1.01 -0.68 -0.91 120.40 125.88 1n5x s VAL 1241Ca -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 1n5x s VAL 1241Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1n5x s VAL 1241CO -0.01 0.26 0.13 -0.44 0.00 0.00 0.00 175.10 175.05 1n5x s SER 1242N -1.08 -0.13 -0.20 3.32 0.01 -0.04 -1.86 113.70 113.72 1n5x s SER 1242Ca 0.08 0.25 -0.07 0.00 1.31 0.00 0.00 55.95 57.53 1n5x s SER 1242Cb -0.09 0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1n5x s SER 1242CO 0.01 -0.05 0.05 -0.76 0.41 0.00 0.00 173.24 172.91 1n5x s LEU 1243N 0.10 3.58 0.06 2.44 1.43 -0.61 -0.28 118.68 125.41 1n5x s LEU 1243Ca -0.00 -0.06 -0.35 0.00 -1.03 0.00 0.00 54.13 52.69 1n5x s LEU 1243Cb -0.01 -1.92 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 1n5x s LEU 1243CO -0.00 0.10 1.61 -0.11 0.23 0.00 0.00 176.35 178.18 1n5x n LEU 1244N 4.02 2.83 -4.90 1.79 7.94 0.18 -4.63 117.00 124.23 1n5x n LEU 1244Ca -0.17 1.07 -0.28 0.00 -1.11 0.00 0.00 56.01 55.52 1n5x n LEU 1244Cb 0.52 -1.35 0.03 0.00 0.53 0.00 0.00 43.42 43.15 1n5x n LEU 1244CO 0.33 -0.40 0.61 -0.13 -1.11 0.00 0.00 177.39 176.69 1n5x s ARG 1245N 1.70 2.99 -0.84 1.96 0.52 -1.26 -4.60 118.95 119.42 1n5x s ARG 1245Ca 0.84 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 56.25 1n5x s ARG 1245Cb -0.76 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1n5x s ARG 1245CO 0.45 -0.76 0.61 -0.25 0.02 0.00 0.00 175.30 175.36 1n5x n ASP 1246N -2.70 -4.86 -2.72 0.23 8.00 -1.26 -4.95 116.55 108.29 1n5x n ASP 1246Ca 0.05 -0.97 -0.08 0.00 0.71 0.00 0.00 54.79 54.50 1n5x n ASP 1246Cb 0.57 -1.72 0.11 0.00 -0.02 0.00 0.00 41.12 40.06 1n5x n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n5x n PRO 1248N -0.29 1.88 -3.21 0.00 -0.04 -1.26 -4.21 135.00 127.88 1n5x n PRO 1248Ca 0.01 0.67 -0.45 0.00 -0.04 0.00 0.00 63.50 63.68 1n5x n PRO 1248Cb 0.80 -2.31 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1n5x n PRO 1248CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1n5x s ASN 1249N 0.28 6.19 0.00 3.54 2.47 -0.78 -4.89 114.94 121.75 1n5x s ASN 1249Ca 0.70 -1.61 0.04 0.00 0.42 0.00 0.00 52.86 52.41 1n5x s ASN 1249Cb -0.69 -2.26 0.17 0.00 -1.45 0.00 0.00 41.25 37.02 1n5x s ASN 1249CO 0.49 -0.99 1.12 2.29 -3.72 0.00 0.00 177.10 176.29 1n5x n LYS 1250N 5.81 0.00 0.18 0.43 2.85 -1.26 -2.84 118.16 123.32 1n5x n LYS 1250Ca -0.12 0.43 0.12 0.00 -1.05 0.00 0.00 58.31 57.69 1n5x n LYS 1250Cb 0.41 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.48 1n5x n LYS 1250CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1n5x h LYS 1251N 0.00 0.00 -5.18 -1.58 1.79 -1.91 -3.48 116.57 106.21 1n5x h LYS 1251Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1n5x h LYS 1251Cb 0.07 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.57 1n5x h LYS 1251CO 0.00 0.00 -0.68 0.00 -1.08 0.00 0.00 179.45 177.69 1n5x s ALA 1252N -3.21 1.80 0.14 3.86 0.00 -1.13 -5.08 121.76 118.13 1n5x s ALA 1252Ca 0.07 -1.69 -0.33 0.00 0.00 0.00 0.00 51.96 50.00 1n5x s ALA 1252Cb 0.07 0.26 -0.17 0.00 0.00 0.00 0.00 23.12 23.28 1n5x s ALA 1252CO 0.68 -0.15 0.88 1.51 0.00 0.00 0.00 175.76 178.68 1n5x n ILE 1253N -0.37 1.13 -3.45 0.00 3.06 -1.26 -1.59 119.36 116.87 1n5x n ILE 1253Ca -0.07 -0.28 -0.21 0.00 -2.50 0.00 0.00 62.75 59.69 1n5x n ILE 1253Cb 0.62 -0.29 -0.03 0.00 0.54 0.00 0.00 39.64 40.48 1n5x n ILE 1253CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1n5x n TYR 1254N 0.85 -1.62 -1.70 9.51 0.53 -1.26 -1.60 117.16 121.87 1n5x n TYR 1254Ca 0.17 0.34 -0.16 0.00 -1.02 0.00 0.00 57.90 57.23 1n5x n TYR 1254Cb 0.20 -1.63 -0.05 0.00 -1.03 0.00 0.00 39.34 36.84 1n5x n TYR 1254CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1n5x n ALA 1255N -3.26 -0.31 -2.00 -0.72 0.00 -0.62 -4.71 120.51 108.88 1n5x n ALA 1255Ca 0.04 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 1n5x n ALA 1255Cb 0.49 -1.73 0.08 0.00 0.00 0.00 0.00 19.45 18.28 1n5x n ALA 1255CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n5x s SER 1256N -2.68 4.79 0.02 0.00 1.04 -0.63 0.15 113.70 116.40 1n5x s SER 1256Ca 0.00 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1n5x s SER 1256Cb 0.00 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 1n5x s SER 1256CO 0.00 -1.53 0.02 -0.54 0.98 0.00 0.00 173.24 172.17 1n5x s LYS 1257N -4.90 0.39 0.31 4.02 1.02 -0.35 -4.31 119.74 115.91 1n5x s LYS 1257Ca 0.63 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 1n5x s LYS 1257Cb -0.07 0.15 -0.13 0.00 -0.52 0.00 0.00 37.83 37.27 1n5x s LYS 1257CO 0.41 -0.08 1.33 0.00 -0.92 0.00 0.00 175.35 176.09 1n5x n ALA 1258N 1.43 1.25 -0.47 5.17 0.00 -1.26 -4.88 120.51 121.75 1n5x n ALA 1258Ca -0.23 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1n5x n ALA 1258Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1n5x n ALA 1258CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1n5x n VAL 1259N 0.83 0.17 0.17 0.00 3.14 -1.26 -4.85 118.33 116.53 1n5x n VAL 1259Ca 0.07 -0.35 -0.06 0.00 -2.96 0.00 0.00 64.34 61.03 1n5x n VAL 1259Cb 0.35 1.23 -0.03 0.00 -1.06 0.00 0.00 33.84 34.33 1n5x n VAL 1259CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1n5x h GLY 1260N 0.00 -0.44 0.15 7.55 0.00 -1.90 -3.42 103.07 105.01 1n5x h GLY 1260Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 47.33 47.21 1n5x h GLY 1260CO 0.00 -0.16 -1.55 1.18 0.00 0.00 0.00 176.54 176.01 1n5x n GLU 1261N -3.17 0.62 -0.11 4.80 1.02 -1.26 -4.67 120.64 117.87 1n5x n GLU 1261Ca -0.05 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1n5x n GLU 1261Cb 0.17 -1.72 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 1n5x n GLU 1261CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1n5x n PRO 1262N -4.17 -0.06 0.28 3.49 -0.02 -1.26 -0.83 135.00 132.42 1n5x n PRO 1262Ca -0.34 0.43 0.16 0.00 -2.02 0.00 0.00 63.50 61.74 1n5x n PRO 1262Cb 0.79 -0.64 0.79 0.00 -0.02 0.00 0.00 33.50 34.42 1n5x n PRO 1262CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n5x h PRO 1263N 0.00 0.00 -0.98 0.52 0.11 -1.83 -3.30 132.00 126.52 1n5x h PRO 1263Ca 0.10 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.37 1n5x h PRO 1263Cb 0.17 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.19 1n5x h PRO 1263CO -0.28 0.06 0.61 1.25 -0.21 0.00 0.00 178.00 179.43 1n5x h LEU 1264N 0.00 0.79 -1.66 2.35 6.46 -1.15 -0.69 115.31 121.41 1n5x h LEU 1264Ca -0.00 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1n5x h LEU 1264Cb 0.38 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1n5x h LEU 1264CO 0.01 0.37 -0.19 0.15 -0.62 0.00 0.00 178.44 178.16 1n5x h PHE 1265N 0.82 0.00 0.00 1.25 3.57 -1.78 -2.52 116.94 118.29 1n5x h PHE 1265Ca 0.51 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.01 1n5x h PHE 1265Cb 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1n5x h PHE 1265CO -0.00 0.19 0.07 1.28 -2.23 0.00 0.00 178.31 177.62 1n5x n LEU 1266N -4.10 0.00 0.00 0.59 4.77 -0.26 0.09 117.00 118.09 1n5x n LEU 1266Ca -0.02 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1n5x n LEU 1266Cb 0.27 -0.41 0.65 0.00 -2.33 0.00 0.00 43.42 41.60 1n5x n LEU 1266CO 0.35 -0.41 0.94 0.61 -1.33 0.00 0.00 177.39 177.56 1n5x n GLY 1267N -1.40 -1.22 0.25 -0.72 0.00 -0.95 -2.65 105.19 98.50 1n5x n GLY 1267Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1n5x n GLY 1267CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5x h ALA 1268N 3.19 1.05 0.00 4.61 0.00 -0.58 -2.57 119.26 124.96 1n5x h ALA 1268Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n5x h ALA 1268Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n5x h ALA 1268CO 0.00 0.17 0.00 0.66 0.00 0.00 0.00 179.25 180.08 1n5x h SER 1269N 0.00 0.00 0.22 0.00 4.64 -1.71 0.49 113.55 117.19 1n5x h SER 1269Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1n5x h SER 1269Cb 0.60 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.73 1n5x h SER 1269CO 0.02 0.00 -1.34 0.58 -0.87 0.00 0.00 176.83 175.22 1n5x h VAL 1270N 0.00 1.32 0.32 0.95 2.07 -1.70 -2.34 116.25 116.87 1n5x h VAL 1270Ca 0.00 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 1n5x h VAL 1270Cb 0.04 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1n5x h VAL 1270CO 0.00 0.78 -0.15 0.15 0.02 0.00 0.00 177.57 178.37 1n5x h PHE 1271N 0.09 -0.39 0.00 1.57 3.57 -1.06 -0.40 116.94 120.31 1n5x h PHE 1271Ca -0.23 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1n5x h PHE 1271Cb 2.05 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.91 1n5x h PHE 1271CO 0.14 -0.22 -0.18 0.74 -2.23 0.00 0.00 178.31 176.56 1n5x h PHE 1272N -0.46 0.00 -0.20 0.41 -1.00 -1.36 -1.00 116.94 113.34 1n5x h PHE 1272Ca -0.04 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.58 1n5x h PHE 1272Cb 0.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1n5x h PHE 1272CO -0.05 0.18 -0.52 0.00 -1.61 0.00 0.00 178.31 176.31 1n5x h ALA 1273N 1.82 0.73 -0.12 2.45 0.00 -1.00 -1.72 119.26 121.42 1n5x h ALA 1273Ca -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1n5x h ALA 1273Cb 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n5x h ALA 1273CO 0.02 0.68 -0.09 0.82 0.00 0.00 0.00 179.25 180.68 1n5x h ILE 1274N 0.43 1.34 -0.88 0.00 2.04 -0.40 -2.57 117.51 117.47 1n5x h ILE 1274Ca 0.02 -1.20 0.11 0.00 1.00 0.00 0.00 64.86 64.78 1n5x h ILE 1274Cb 1.05 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.92 1n5x h ILE 1274CO 0.10 0.35 0.52 0.50 0.00 0.00 0.00 178.15 179.61 1n5x h LYS 1275N -0.09 0.82 -0.84 2.37 3.64 -1.16 0.19 116.57 121.51 1n5x h LYS 1275Ca 0.02 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1n5x h LYS 1275Cb 0.59 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1n5x h LYS 1275CO 0.02 0.54 0.52 0.22 -2.27 0.00 0.00 179.45 178.49 1n5x h ASP 1276N 0.84 0.82 -0.25 4.20 3.58 -1.17 -0.83 116.42 123.62 1n5x h ASP 1276Ca 0.43 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.75 1n5x h ASP 1276Cb 0.42 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1n5x h ASP 1276CO -0.26 0.54 -0.38 0.00 -2.88 0.00 0.00 179.24 176.26 1n5x h ALA 1277N 1.39 0.71 -0.35 -0.78 0.00 -0.36 -2.87 119.26 117.00 1n5x h ALA 1277Ca 0.36 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1n5x h ALA 1277Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1n5x h ALA 1277CO -0.16 0.66 0.08 0.82 0.00 0.00 0.00 179.25 180.65 1n5x h ILE 1278N 0.65 1.17 0.20 0.00 2.04 0.13 -1.67 117.51 120.02 1n5x h ILE 1278Ca 0.06 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1n5x h ILE 1278Cb 0.93 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1n5x h ILE 1278CO 0.09 0.21 -0.09 0.03 0.00 0.00 0.00 178.15 178.38 1n5x h ARG 1279N 0.50 -0.25 -0.80 2.37 3.08 -0.97 -0.36 114.38 117.95 1n5x h ARG 1279Ca 0.12 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.34 1n5x h ARG 1279Cb 0.20 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.21 1n5x h ARG 1279CO -0.00 -0.11 0.34 0.00 -1.07 0.00 0.00 179.97 179.13 1n5x h ALA 1280N 0.44 1.16 0.69 0.04 0.00 -1.25 -0.35 119.26 119.99 1n5x h ALA 1280Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n5x h ALA 1280Cb 0.27 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1n5x h ALA 1280CO 0.04 -0.21 -0.33 0.00 0.00 0.00 0.00 179.25 178.76 1n5x h ALA 1281N 1.58 -0.92 -0.72 0.00 0.00 -0.97 -2.51 119.26 115.71 1n5x h ALA 1281Ca 0.45 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1n5x h ALA 1281Cb 0.70 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1n5x h ALA 1281CO -0.42 -1.00 0.49 0.00 0.00 0.00 0.00 179.25 178.32 1n5x h ARG 1282N -0.95 0.32 0.00 0.00 3.08 -0.29 0.55 114.38 117.09 1n5x h ARG 1282Ca -0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1n5x h ARG 1282Cb 0.72 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1n5x h ARG 1282CO 0.15 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1n5x h ALA 1283N 1.66 1.00 0.03 0.04 0.00 -0.87 0.19 119.26 121.30 1n5x h ALA 1283Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1n5x h ALA 1283Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1n5x h ALA 1283CO -0.10 0.00 -0.68 0.37 0.00 0.00 0.00 179.25 178.84 1n5x h GLN 1284N 0.00 0.07 0.00 0.00 5.75 0.54 -3.43 115.11 118.04 1n5x h GLN 1284Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1n5x h GLN 1284Cb 0.56 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1n5x h GLN 1284CO 0.00 1.06 0.00 0.72 -2.65 0.00 0.00 178.83 177.96 1n5x n HIS 1285N -4.39 0.00 -0.26 3.99 8.25 -0.98 -5.07 115.22 116.76 1n5x n HIS 1285Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1n5x n HIS 1285Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1n5x n HIS 1285CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1n5x n THR 1286N -0.66 0.00 -0.75 1.59 -1.04 0.65 -4.74 114.28 109.33 1n5x n THR 1286Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1n5x n THR 1286Cb 0.01 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1n5x n THR 1286CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n5x n ASN 1287N 0.00 -2.53 -0.36 8.00 3.02 -1.22 -4.83 115.26 117.34 1n5x n ASN 1287Ca 0.00 -0.11 0.03 0.00 -0.03 0.00 0.00 54.58 54.47 1n5x n ASN 1287Cb 0.00 -0.60 0.04 0.00 -0.61 0.00 0.00 39.78 38.62 1n5x n ASN 1287CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n5x n ASN 1288N 1.76 0.71 -4.37 6.41 3.02 -1.26 -4.55 115.26 116.97 1n5x n ASN 1288Ca 0.01 -2.30 -0.45 0.00 -0.03 0.00 0.00 54.58 51.81 1n5x n ASN 1288Cb 0.32 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1n5x n ASN 1288CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1n5x s ASN 1289N -1.54 6.25 0.58 6.41 2.47 -1.26 -4.92 114.94 122.92 1n5x s ASN 1289Ca 0.09 -1.57 0.31 0.00 0.42 0.00 0.00 52.86 52.11 1n5x s ASN 1289Cb 0.08 -2.30 1.41 0.00 -1.45 0.00 0.00 41.25 39.00 1n5x s ASN 1289CO 0.01 -1.07 1.78 0.74 -3.72 0.00 0.00 177.10 174.84 1n5x h THR 1290N 5.84 0.33 -0.62 -5.21 2.02 -1.99 -0.72 112.91 112.56 1n5x h THR 1290Ca -0.24 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.55 1n5x h THR 1290Cb 1.08 0.46 -0.23 0.00 -1.74 0.00 0.00 68.15 67.72 1n5x h THR 1290CO 1.08 0.00 -0.01 0.29 0.37 0.00 0.00 175.52 177.25 1n5x n LYS 1291N -3.80 2.43 -2.55 6.66 5.02 -1.26 -4.95 118.16 119.71 1n5x n LYS 1291Ca 0.16 -3.42 -0.39 0.00 -2.02 0.00 0.00 58.31 52.63 1n5x n LYS 1291Cb 0.98 -2.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1n5x n LYS 1291CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1n5x s GLU 1292N -3.45 4.58 -0.42 1.97 2.12 -0.28 -4.74 118.70 118.48 1n5x s GLU 1292Ca 0.51 1.67 0.02 0.00 0.36 0.00 0.00 54.97 57.52 1n5x s GLU 1292Cb 0.43 -3.06 0.11 0.00 0.26 0.00 0.00 34.13 31.88 1n5x s GLU 1292CO 0.01 0.20 0.17 -0.51 -0.54 0.00 0.00 175.26 174.59 1n5x s LEU 1293N -1.67 4.86 -0.04 2.70 1.43 -1.26 -4.99 118.68 119.71 1n5x s LEU 1293Ca 0.47 -2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 51.07 1n5x s LEU 1293Cb -0.28 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1n5x s LEU 1293CO 0.36 -0.39 0.38 0.72 0.23 0.00 0.00 176.35 177.64 1n5x s PHE 1294N 0.64 3.67 -0.02 0.29 -0.12 -1.26 -5.06 117.98 116.12 1n5x s PHE 1294Ca 0.12 0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 57.61 1n5x s PHE 1294Cb -0.21 -2.29 -0.03 0.00 -0.63 0.00 0.00 43.02 39.86 1n5x s PHE 1294CO -0.05 0.57 1.02 0.50 -0.05 0.00 0.00 175.22 177.21 1n5x s ARG 1295N -0.77 4.51 -0.27 1.99 3.52 -1.26 -5.01 118.95 121.65 1n5x s ARG 1295Ca 0.22 1.47 -0.01 0.00 -0.13 0.00 0.00 55.73 57.28 1n5x s ARG 1295Cb -0.16 -3.47 0.08 0.00 -1.56 0.00 0.00 34.95 29.85 1n5x s ARG 1295CO 0.11 -0.15 0.07 -1.17 -0.81 0.00 0.00 175.30 173.35 1n5x s LEU 1296N 1.29 1.86 0.88 -0.88 2.96 -1.26 -5.10 118.68 118.43 1n5x s LEU 1296Ca 0.52 -1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 1n5x s LEU 1296Cb -0.22 -0.78 0.14 0.00 0.50 0.00 0.00 46.19 45.83 1n5x s LEU 1296CO 0.26 -0.37 1.24 -1.81 -1.32 0.00 0.00 176.35 174.34 1n5x s ASP 1297N 1.70 3.78 -0.11 3.68 1.01 -1.26 -4.94 116.67 120.53 1n5x s ASP 1297Ca 0.05 0.43 -0.05 0.00 0.71 0.00 0.00 52.55 53.70 1n5x s ASP 1297Cb -0.17 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 43.03 1n5x s ASP 1297CO -0.19 -2.32 0.07 -0.55 0.21 0.00 0.00 175.17 172.39 1n5x s SER 1298N -4.75 5.83 0.31 0.27 0.15 -0.22 -3.58 113.70 111.70 1n5x s SER 1298Ca 0.68 0.31 -0.16 0.00 0.70 0.00 0.00 55.95 57.48 1n5x s SER 1298Cb -0.07 -1.78 -0.09 0.00 -1.71 0.00 0.00 66.02 62.37 1n5x s SER 1298CO 0.51 0.39 0.75 -2.16 1.20 0.00 0.00 173.24 173.92 1n5x s PRO 1299N -0.93 4.06 -1.36 5.44 0.04 -1.26 -1.47 135.00 139.51 1n5x s PRO 1299Ca 0.14 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 61.74 1n5x s PRO 1299Cb -0.12 -2.50 0.06 0.00 0.04 0.00 0.00 34.50 31.99 1n5x s PRO 1299CO 0.03 0.19 1.93 0.00 0.04 0.00 0.00 177.00 179.19 1n5x n ALA 1300N -0.19 4.37 -1.56 8.56 0.00 0.12 -4.85 120.51 126.95 1n5x n ALA 1300Ca 0.03 -3.87 -0.29 0.00 0.00 0.00 0.00 53.44 49.30 1n5x n ALA 1300Cb 0.53 -3.57 0.14 0.00 0.00 0.00 0.00 19.45 16.55 1n5x n ALA 1300CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n5x s THR 1301N 3.74 1.98 0.53 0.00 -4.23 -1.26 -4.64 115.64 111.75 1n5x s THR 1301Ca 0.51 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.35 1n5x s THR 1301Cb 0.08 -2.77 0.37 0.00 1.34 0.00 0.00 72.50 71.52 1n5x s THR 1301CO 0.01 0.00 2.22 1.55 -0.54 0.00 0.00 174.62 177.86 1n5x h PRO 1302N -1.54 0.00 -0.12 3.99 0.13 -1.84 0.11 132.00 132.72 1n5x h PRO 1302Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1n5x h PRO 1302Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1n5x h PRO 1302CO 0.59 0.04 -0.30 1.49 -0.23 0.00 0.00 178.00 179.58 1n5x h GLU 1303N 0.00 0.42 -0.38 0.86 4.81 -1.88 -1.06 114.58 117.36 1n5x h GLU 1303Ca -0.00 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 58.79 1n5x h GLU 1303Cb 0.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1n5x h GLU 1303CO 0.00 0.90 -0.36 0.87 -0.73 0.00 0.00 179.01 179.70 1n5x h LYS 1304N 0.01 0.89 0.09 1.92 1.57 -1.59 -2.05 116.57 117.42 1n5x h LYS 1304Ca -0.00 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1n5x h LYS 1304Cb 0.91 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1n5x h LYS 1304CO 0.07 1.10 -0.05 0.82 -0.57 0.00 0.00 179.45 180.82 1n5x h ILE 1305N 0.73 1.03 -0.18 1.86 2.04 -0.87 -2.22 117.51 119.91 1n5x h ILE 1305Ca 0.07 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1n5x h ILE 1305Cb 0.94 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1n5x h ILE 1305CO 0.09 0.11 0.12 -0.09 0.00 0.00 0.00 178.15 178.38 1n5x h ARG 1306N -0.33 0.24 0.00 2.37 9.65 -1.22 -2.36 114.38 122.73 1n5x h ARG 1306Ca -0.01 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1n5x h ARG 1306Cb 0.28 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1n5x h ARG 1306CO 0.02 0.17 -0.03 -0.91 2.80 0.00 0.00 179.97 182.02 1n5x h ASN 1307N 0.24 0.00 0.47 -3.80 2.35 -1.37 -1.23 115.58 112.24 1n5x h ASN 1307Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1n5x h ASN 1307Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1n5x h ASN 1307CO -0.01 0.03 -0.37 0.00 -1.65 0.00 0.00 177.43 175.43 1n5x n ALA 1308N -2.19 3.27 -2.87 -0.83 0.00 -0.84 -4.26 120.51 112.80 1n5x n ALA 1308Ca -0.02 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1n5x n ALA 1308Cb 0.15 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1n5x n ALA 1308CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5x s VAL 1310N -2.61 2.19 0.26 0.00 1.01 -1.26 -4.84 120.40 115.15 1n5x s VAL 1310Ca 0.33 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1n5x s VAL 1310Cb 0.07 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1n5x s VAL 1310CO 0.07 0.03 0.52 -0.90 0.00 0.00 0.00 175.10 174.82 1n5x n ASP 1311N 2.00 -1.52 0.25 3.32 5.68 -1.26 -4.05 116.55 120.97 1n5x n ASP 1311Ca 0.07 -2.07 0.13 0.00 -0.50 0.00 0.00 54.79 52.42 1n5x n ASP 1311Cb 0.38 2.54 0.71 0.00 -1.14 0.00 0.00 41.12 43.61 1n5x n ASP 1311CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1n5x h LYS 1312N 0.00 0.00 0.00 0.11 2.10 -1.94 0.37 116.57 117.21 1n5x h LYS 1312Ca -0.22 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.37 1n5x h LYS 1312Cb 0.83 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1n5x h LYS 1312CO 0.28 0.00 -0.46 0.74 -2.00 0.00 0.00 179.45 178.01 1n5x h PHE 1313N 0.00 0.00 0.00 0.07 -1.00 -1.95 -0.31 116.94 113.75 1n5x h PHE 1313Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1n5x h PHE 1313Cb 0.40 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 1n5x h PHE 1313CO 0.00 0.59 -0.05 1.79 -1.61 0.00 0.00 178.31 179.03 1n5x h THR 1314N -1.00 0.81 0.00 -1.55 1.35 -1.78 -3.22 112.91 107.52 1n5x h THR 1314Ca -0.09 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1n5x h THR 1314Cb 0.69 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1n5x h THR 1314CO -0.05 0.05 0.00 0.41 -0.25 0.00 0.00 175.52 175.68 1n5x n THR 1315N -4.16 0.00 -1.70 6.82 -1.04 0.08 -4.94 114.28 109.35 1n5x n THR 1315Ca -0.03 0.46 -0.42 0.00 -2.04 0.00 0.00 64.05 62.02 1n5x n THR 1315Cb 0.13 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 1n5x n THR 1315CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1n5x s LEU 1316N -3.41 4.14 0.00 -4.42 2.01 -0.13 -5.07 118.68 111.81 1n5x s LEU 1316Ca 0.00 2.39 0.00 0.00 0.01 0.00 0.00 54.13 56.53 1n5x s LEU 1316Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.67 1n5x s LEU 1316CO 0.00 -1.30 0.00 1.17 1.01 0.00 0.00 176.35 177.23 1n5x n LYS 1326N 7.84 0.00 -2.08 1.70 4.81 -1.26 -4.85 118.16 124.33 1n5x n LYS 1326Ca 0.22 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.28 1n5x n LYS 1326Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1n5x n LYS 1326CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1n5x s PRO 1327N 0.00 3.76 0.08 1.64 0.04 -1.26 -4.96 135.00 134.30 1n5x s PRO 1327Ca 0.00 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1n5x s PRO 1327Cb 0.00 -2.56 -0.16 0.00 0.04 0.00 0.00 34.50 31.82 1n5x s PRO 1327CO 0.00 -0.63 1.63 2.35 0.04 0.00 0.00 177.00 180.39 1n5x h TRP 1328N 2.27 -0.81 -2.50 0.56 7.01 -2.14 -3.44 115.95 116.90 1n5x h TRP 1328Ca -0.50 -0.01 -0.53 0.00 2.11 0.00 0.00 58.89 59.97 1n5x h TRP 1328Cb 1.26 0.29 -0.14 0.00 -2.10 0.00 0.00 29.16 28.47 1n5x h TRP 1328CO 0.52 -0.47 -0.72 -1.54 -2.79 0.00 0.00 178.44 173.45 1n5x s SER 1329N -4.56 3.07 0.00 2.65 1.04 -1.26 -5.16 113.70 109.48 1n5x s SER 1329Ca -0.17 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1n5x s SER 1329Cb 0.05 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1n5x s SER 1329CO 0.63 -0.16 0.00 -0.11 0.98 0.00 0.00 173.24 174.58 1n5x n LEU 1330N -0.56 0.00 0.08 2.42 0.00 -1.26 -5.11 117.00 112.58 1n5x n LEU 1330Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 1n5x n LEU 1330Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.04 1n5x n LEU 1330CO 0.38 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.63 1n5x n ARG 1331N 0.00 0.00 -0.63 1.96 0.63 -1.26 -5.22 116.66 112.14 1n5x n ARG 1331Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1n5x n ARG 1331Cb 0.00 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.72 1n5x n ARG 1331CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67