#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5x n ASP 2 N 0.00 -1.22 0.00 1.61 10.43 -1.26 -5.01 116.55 121.10 1d5x n ASP 2 Ca 0.00 -0.99 0.00 0.00 2.57 0.00 0.00 54.79 56.37 1d5x n ASP 2 Cb 0.00 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 42.36 1d5x n ASP 2 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1d5x n THR 3 N -3.69 0.00 -1.59 -3.53 -1.04 -1.26 -5.08 114.28 98.09 1d5x n THR 3 Ca 0.09 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.66 1d5x n THR 3 Cb 0.35 0.22 -0.04 0.00 -1.82 0.00 0.00 70.33 69.04 1d5x n THR 3 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1d5x n ARG 4 N 0.00 2.01 -1.21 -2.82 0.63 -1.26 -4.86 116.66 109.15 1d5x n ARG 4 Ca 0.00 0.60 -0.42 0.00 -0.92 0.00 0.00 57.85 57.12 1d5x n ARG 4 Cb 0.03 -3.06 -0.03 0.00 0.45 0.00 0.00 32.46 29.85 1d5x n ARG 4 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1d5x n PRO 5 N 8.36 0.00 -4.67 -0.14 -0.04 -1.26 -5.00 135.00 132.25 1d5x n PRO 5 Ca 0.29 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 1d5x n PRO 5 Cb 0.40 -0.87 -0.13 0.00 -0.04 0.00 0.00 33.50 32.87 1d5x n PRO 5 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1d5x s ARG 6 N -0.85 2.09 -0.15 0.54 1.81 -1.26 -5.12 118.95 116.01 1d5x s ARG 6 Ca 0.56 -0.97 0.02 0.00 -1.72 0.00 0.00 55.73 53.61 1d5x s ARG 6 Cb -0.81 -2.19 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 1d5x s ARG 6 CO 0.48 0.54 -0.20 -0.06 -0.68 0.00 0.00 175.30 175.38 1d5x s PHE 7 N -0.92 2.61 -0.14 -0.53 2.99 -1.26 -5.09 117.98 115.64 1d5x s PHE 7 Ca 0.14 -1.40 0.01 0.00 0.00 0.00 0.00 56.93 55.68 1d5x s PHE 7 Cb -0.10 -1.80 -0.00 0.00 0.00 0.00 0.00 43.02 41.11 1d5x s PHE 7 CO 0.05 -0.67 -0.17 -1.17 -0.00 0.00 0.00 175.22 173.26 1d5x s LEU 8 N 1.04 2.46 -0.21 -0.37 2.96 -1.26 -5.04 118.68 118.25 1d5x s LEU 8 Ca -0.02 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1d5x s LEU 8 Cb -0.14 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 1d5x s LEU 8 CO -0.06 0.12 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.32 1d5x s GLU 9 N 0.60 3.31 -0.03 1.98 2.56 -1.26 -0.23 118.70 125.63 1d5x s GLU 9 Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 54.97 54.27 1d5x s GLU 9 Cb -0.16 -2.94 -0.02 0.00 2.00 0.00 0.00 34.13 33.01 1d5x s GLU 9 CO 0.03 -0.20 -0.19 -0.65 -0.56 0.00 0.00 175.26 173.70 1d5x s GLN 10 N 1.45 2.34 -0.02 4.30 -0.21 -0.30 -4.97 119.66 122.24 1d5x s GLN 10 Ca 0.06 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.67 1d5x s GLN 10 Cb -0.14 -2.25 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 1d5x s GLN 10 CO -0.05 0.60 -0.10 0.08 -2.12 0.00 0.00 175.29 173.70 1d5x s VAL 11 N -0.70 0.80 -0.04 1.09 1.01 -1.26 0.13 120.40 121.43 1d5x s VAL 11 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1d5x s VAL 11 Cb -0.10 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.61 1d5x s VAL 11 CO 0.00 0.24 0.07 -0.54 0.00 0.00 0.00 175.10 174.87 1d5x s LYS 12 N 0.02 -0.06 -0.29 2.72 1.02 0.11 -5.02 119.74 118.24 1d5x s LYS 12 Ca -0.00 0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.29 1d5x s LYS 12 Cb -0.07 -0.44 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 1d5x s LYS 12 CO 0.00 -0.30 0.07 -1.01 -0.92 0.00 0.00 175.35 173.19 1d5x s HIS 13 N 1.98 3.14 -0.10 3.18 3.76 -1.26 -0.03 115.29 125.95 1d5x s HIS 13 Ca 0.02 -1.00 -0.02 0.00 -0.15 0.00 0.00 55.06 53.91 1d5x s HIS 13 Cb -0.12 -2.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 1d5x s HIS 13 CO -0.03 -0.58 0.00 -1.21 -0.85 0.00 0.00 174.74 172.07 1d5x s GLU 14 N 1.49 3.13 -0.27 1.40 2.02 0.32 -4.96 118.70 121.83 1d5x s GLU 14 Ca 0.03 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 54.63 1d5x s GLU 14 Cb -0.17 -2.84 0.07 0.00 0.10 0.00 0.00 34.13 31.29 1d5x s GLU 14 CO 0.02 0.63 -0.07 0.00 0.02 0.00 0.00 175.26 175.86 1d5x s HIS 16 N 1.13 3.23 -0.09 0.00 3.76 0.18 -4.94 115.29 118.56 1d5x s HIS 16 Ca -0.04 0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.02 1d5x s HIS 16 Cb -0.20 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 1d5x s HIS 16 CO -0.06 -0.17 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.56 1d5x s PHE 17 N 1.79 3.02 -0.12 1.40 0.40 -1.26 -1.02 117.98 122.19 1d5x s PHE 17 Ca 0.08 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1d5x s PHE 17 Cb -0.16 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1d5x s PHE 17 CO 0.11 0.29 -0.15 -0.06 0.70 0.00 0.00 175.22 176.11 1d5x s PHE 18 N -0.57 2.03 -0.92 0.36 0.40 -1.18 -4.78 117.98 113.31 1d5x s PHE 18 Ca 0.09 -0.99 -0.07 0.00 -0.60 0.00 0.00 56.93 55.36 1d5x s PHE 18 Cb -0.12 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 1d5x s PHE 18 CO 0.02 -0.52 0.74 0.09 0.70 0.00 0.00 175.22 176.26 1d5x n ASN 19 N 4.30 -6.38 0.00 1.36 3.02 -1.26 -2.61 115.26 113.70 1d5x n ASN 19 Ca -0.19 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1d5x n ASN 19 Cb 0.51 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 1d5x n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5x n GLY 20 N -1.64 2.58 0.54 7.41 0.00 -1.26 -2.56 105.19 110.25 1d5x n GLY 20 Ca -0.10 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.67 1d5x n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d5x n THR 21 N 0.00 1.47 0.25 2.61 -2.24 -1.26 -4.62 114.28 110.49 1d5x n THR 21 Ca 0.00 -1.39 0.10 0.00 -2.27 0.00 0.00 64.05 60.49 1d5x n THR 21 Cb 0.00 0.20 0.67 0.00 -2.10 0.00 0.00 70.33 69.10 1d5x n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1d5x h GLU 22 N 1.38 0.00 -1.99 -0.78 5.08 -1.50 -3.36 114.58 113.41 1d5x h GLU 22 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1d5x h GLU 22 Cb 0.93 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.84 1d5x h GLU 22 CO 0.06 0.11 -0.91 -2.13 -1.00 0.00 0.00 179.01 175.14 1d5x n ARG 23 N -4.05 0.36 -2.72 2.33 0.63 -1.07 -5.01 116.66 107.13 1d5x n ARG 23 Ca -0.02 -2.95 -0.39 0.00 -0.92 0.00 0.00 57.85 53.56 1d5x n ARG 23 Cb 0.19 -1.54 -0.06 0.00 0.45 0.00 0.00 32.46 31.50 1d5x n ARG 23 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1d5x s VAL 24 N -0.04 4.01 -0.05 5.15 1.01 -1.26 -3.12 120.40 126.11 1d5x s VAL 24 Ca 0.33 1.96 -0.00 0.00 0.00 0.00 0.00 61.98 64.26 1d5x s VAL 24 Cb 0.07 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1d5x s VAL 24 CO -0.16 0.41 -0.02 -0.60 0.00 0.00 0.00 175.10 174.73 1d5x s ARG 25 N -1.39 0.68 -0.17 2.72 3.52 -0.19 -4.97 118.95 119.15 1d5x s ARG 25 Ca 0.43 0.00 -0.07 0.00 -0.13 0.00 0.00 55.73 55.96 1d5x s ARG 25 Cb -0.25 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.24 1d5x s ARG 25 CO 0.32 -0.18 0.08 0.12 -0.81 0.00 0.00 175.30 174.83 1d5x s PHE 26 N 1.36 3.32 -0.10 5.12 5.36 -1.26 -0.65 117.98 131.12 1d5x s PHE 26 Ca -0.04 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1d5x s PHE 26 Cb -0.13 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1d5x s PHE 26 CO -0.02 0.28 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.34 1d5x s LEU 27 N 0.09 1.79 -0.38 6.12 2.01 -0.51 -0.44 118.68 127.35 1d5x s LEU 27 Ca 0.06 -0.44 -0.03 0.00 0.01 0.00 0.00 54.13 53.73 1d5x s LEU 27 Cb -0.12 -1.13 0.09 0.00 0.01 0.00 0.00 46.19 45.05 1d5x s LEU 27 CO 0.00 0.04 0.15 -0.62 1.01 0.00 0.00 176.35 176.93 1d5x s ASP 28 N 0.86 5.17 -0.08 2.29 -1.08 0.00 -0.52 116.67 123.31 1d5x s ASP 28 Ca -0.09 -1.82 0.02 0.00 -0.52 0.00 0.00 52.55 50.15 1d5x s ASP 28 Cb -0.15 -1.80 -0.02 0.00 -1.46 0.00 0.00 42.92 39.48 1d5x s ASP 28 CO 0.00 -0.47 -0.15 -0.13 0.52 0.00 0.00 175.17 174.94 1d5x s ARG 29 N 1.17 2.87 -0.06 4.34 0.52 0.95 -0.83 118.95 127.92 1d5x s ARG 29 Ca 0.05 -0.72 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 1d5x s ARG 29 Cb -0.22 -2.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1d5x s ARG 29 CO -0.03 0.42 -0.23 0.71 0.02 0.00 0.00 175.30 176.19 1d5x s TYR 30 N -0.22 2.48 0.11 -0.53 1.51 -0.97 0.04 117.35 119.77 1d5x s TYR 30 Ca 0.00 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 1d5x s TYR 30 Cb -0.13 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1d5x s TYR 30 CO 0.03 -0.14 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.10 1d5x s PHE 31 N -0.26 1.53 -0.25 2.71 0.40 0.35 -1.24 117.98 121.22 1d5x s PHE 31 Ca -0.00 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1d5x s PHE 31 Cb -0.13 -0.82 0.06 0.00 0.51 0.00 0.00 43.02 42.64 1d5x s PHE 31 CO 0.03 0.16 -0.07 -0.47 0.70 0.00 0.00 175.22 175.57 1d5x s TYR 32 N -1.53 2.88 0.00 0.36 5.04 0.23 -1.15 117.35 123.17 1d5x s TYR 32 Ca 0.06 -2.10 0.00 0.00 -2.44 0.00 0.00 57.07 52.58 1d5x s TYR 32 Cb -0.08 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1d5x s TYR 32 CO 0.04 -0.84 0.00 0.72 -1.34 0.00 0.00 175.55 174.13 1d5x n HIS 33 N 4.54 0.00 0.91 4.97 8.25 0.68 -1.06 115.22 133.52 1d5x n HIS 33 Ca -0.12 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.46 1d5x n HIS 33 Cb 0.43 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.84 1d5x n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1d5x n GLN 34 N 13.28 2.07 -3.05 -0.41 10.64 -1.26 -4.66 117.38 133.98 1d5x n GLN 34 Ca 0.00 -1.60 -0.41 0.00 -1.83 0.00 0.00 57.00 53.16 1d5x n GLN 34 Cb 0.00 -1.45 -0.06 0.00 -0.86 0.00 0.00 30.24 27.87 1d5x n GLN 34 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1d5x s GLU 35 N -1.74 3.91 -0.41 2.61 2.56 -0.22 -5.02 118.70 120.39 1d5x s GLU 35 Ca 0.34 0.39 -0.29 0.00 0.00 0.00 0.00 54.97 55.42 1d5x s GLU 35 Cb 0.20 -3.73 0.02 0.00 2.00 0.00 0.00 34.13 32.62 1d5x s GLU 35 CO 0.29 -0.62 1.10 -2.00 -0.56 0.00 0.00 175.26 173.47 1d5x s GLU 36 N 2.75 3.85 -0.10 4.30 2.12 -1.26 0.74 118.70 131.09 1d5x s GLU 36 Ca 0.28 0.74 0.15 0.00 0.36 0.00 0.00 54.97 56.50 1d5x s GLU 36 Cb -0.15 -3.84 -0.23 0.00 0.26 0.00 0.00 34.13 30.17 1d5x s GLU 36 CO 0.12 -1.18 0.44 2.48 -0.54 0.00 0.00 175.26 176.58 1d5x n TYR 37 N 7.41 0.60 -3.69 5.30 0.18 -0.37 -4.17 117.16 122.41 1d5x n TYR 37 Ca 0.12 0.22 -0.11 0.00 1.88 0.00 0.00 57.90 60.00 1d5x n TYR 37 Cb 0.48 -1.10 -0.06 0.00 -0.38 0.00 0.00 39.34 38.28 1d5x n TYR 37 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1d5x s VAL 38 N -2.59 0.07 -0.03 -3.48 0.11 -1.23 -1.76 120.40 111.49 1d5x s VAL 38 Ca -0.07 -0.60 -0.27 0.00 -2.93 0.00 0.00 61.98 58.11 1d5x s VAL 38 Cb 0.07 -1.04 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1d5x s VAL 38 CO 0.83 -0.33 0.60 0.00 -3.33 0.00 0.00 175.10 172.87 1d5x s ARG 39 N -2.98 1.00 -0.13 1.54 1.70 -0.75 -2.29 118.95 117.04 1d5x s ARG 39 Ca -0.02 0.12 -0.01 0.00 -0.47 0.00 0.00 55.73 55.35 1d5x s ARG 39 Cb 0.00 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 1d5x s ARG 39 CO -0.06 -0.32 -0.09 0.12 -1.08 0.00 0.00 175.30 173.87 1d5x s PHE 40 N -1.40 2.89 -0.14 5.89 2.19 -0.01 -0.85 117.98 126.55 1d5x s PHE 40 Ca -0.11 -0.46 0.02 0.00 0.33 0.00 0.00 56.93 56.72 1d5x s PHE 40 Cb -0.01 -1.87 0.01 0.00 -1.31 0.00 0.00 43.02 39.84 1d5x s PHE 40 CO 0.07 -0.10 -0.21 0.34 1.83 0.00 0.00 175.22 177.15 1d5x s ASP 41 N 0.25 3.21 0.27 6.13 -1.08 -1.25 -0.82 116.67 123.38 1d5x s ASP 41 Ca -0.06 -0.58 -0.03 0.00 -0.52 0.00 0.00 52.55 51.36 1d5x s ASP 41 Cb -0.15 -1.47 0.39 0.00 -1.46 0.00 0.00 42.92 40.24 1d5x s ASP 41 CO 0.04 0.08 1.92 0.77 0.52 0.00 0.00 175.17 178.51 1d5x h SER 42 N 7.29 1.03 0.01 -0.34 4.64 -1.13 -0.06 113.55 125.00 1d5x h SER 42 Ca -0.32 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1d5x h SER 42 Cb 1.19 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1d5x h SER 42 CO 0.55 0.71 0.00 0.47 -0.87 0.00 0.00 176.83 177.69 1d5x n ASP 43 N -4.44 0.00 -0.03 4.97 8.00 -1.26 -3.07 116.55 120.72 1d5x n ASP 43 Ca 0.13 -0.44 -0.03 0.00 0.71 0.00 0.00 54.79 55.16 1d5x n ASP 43 Cb 0.10 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1d5x n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1d5x n VAL 44 N -1.01 0.31 0.00 2.53 0.31 -0.31 -5.05 118.33 115.12 1d5x n VAL 44 Ca 0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1d5x n VAL 44 Cb 0.05 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1d5x n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d5x n GLY 45 N 3.11 3.19 3.32 2.92 0.00 -0.19 -5.01 105.19 112.52 1d5x n GLY 45 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1d5x n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d5x s GLU 46 N -0.58 1.58 0.13 1.61 -1.05 -1.26 -4.95 118.70 114.19 1d5x s GLU 46 Ca 0.00 -1.90 -0.26 0.00 -0.15 0.00 0.00 54.97 52.66 1d5x s GLU 46 Cb 0.00 -0.01 -0.07 0.00 -0.44 0.00 0.00 34.13 33.61 1d5x s GLU 46 CO 0.00 -0.47 0.80 0.71 0.95 0.00 0.00 175.26 177.25 1d5x s TYR 47 N -3.64 3.86 -0.06 4.83 1.51 -1.26 -3.84 117.35 118.74 1d5x s TYR 47 Ca 0.36 1.63 0.04 0.00 -1.01 0.00 0.00 57.07 58.09 1d5x s TYR 47 Cb 0.05 -2.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.07 1d5x s TYR 47 CO 0.18 0.41 -0.18 1.03 -1.11 0.00 0.00 175.55 175.88 1d5x s ARG 48 N -0.72 2.13 -0.11 -0.62 3.00 -0.03 -4.90 118.95 117.69 1d5x s ARG 48 Ca 0.38 -0.65 -0.30 0.00 0.00 0.00 0.00 55.73 55.16 1d5x s ARG 48 Cb -0.23 -1.75 -0.02 0.00 0.00 0.00 0.00 34.95 32.95 1d5x s ARG 48 CO 0.26 0.19 1.27 0.00 0.00 0.00 0.00 175.30 177.02 1d5x s ALA 49 N 0.25 3.60 0.15 2.13 0.00 -1.26 -1.81 121.76 124.82 1d5x s ALA 49 Ca -0.10 0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1d5x s ALA 49 Cb -0.14 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 1d5x s ALA 49 CO 0.04 -1.04 1.34 0.28 0.00 0.00 0.00 175.76 176.38 1d5x h VAL 50 N 5.31 1.67 -3.84 0.00 2.07 -1.60 -3.47 116.25 116.39 1d5x h VAL 50 Ca -0.30 -3.20 -0.09 0.00 0.82 0.00 0.00 66.70 63.93 1d5x h VAL 50 Cb 1.13 2.72 -0.14 0.00 -1.52 0.00 0.00 31.29 33.48 1d5x h VAL 50 CO 0.94 0.91 -0.39 0.42 0.02 0.00 0.00 177.57 179.47 1d5x s THR 51 N -2.87 0.14 0.55 2.57 -4.23 -1.12 -4.99 115.64 105.68 1d5x s THR 51 Ca 0.01 -1.23 0.26 0.00 -1.18 0.00 0.00 61.69 59.55 1d5x s THR 51 Cb 0.10 -1.38 0.26 0.00 1.34 0.00 0.00 72.50 72.83 1d5x s THR 51 CO 0.81 -0.66 1.79 -0.33 -0.54 0.00 0.00 174.62 175.69 1d5x h GLU 52 N 2.77 0.00 0.00 3.99 4.39 -1.90 0.70 114.58 124.53 1d5x h GLU 52 Ca -0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 1d5x h GLU 52 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1d5x h GLU 52 CO 0.57 0.00 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.15 1d5x h LEU 53 N 0.00 0.00 -0.37 1.33 3.38 -1.97 -2.96 115.31 114.73 1d5x h LEU 53 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d5x h LEU 53 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1d5x h LEU 53 CO 0.00 0.19 -0.55 0.61 0.09 0.00 0.00 178.44 178.78 1d5x n GLY 54 N -0.20 -0.71 0.27 0.83 0.00 0.24 -4.46 105.19 101.15 1d5x n GLY 54 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 1d5x n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1d5x h ARG 55 N 0.90 -0.11 -0.56 1.61 2.43 -1.58 -0.24 114.38 116.82 1d5x h ARG 55 Ca 0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1d5x h ARG 55 Cb 0.56 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1d5x h ARG 55 CO 0.00 -0.08 0.24 -1.35 -1.51 0.00 0.00 179.97 177.28 1d5x h PRO 56 N -0.12 0.44 -0.36 0.20 0.11 -1.80 -1.89 132.00 128.58 1d5x h PRO 56 Ca 0.22 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 1d5x h PRO 56 Cb 0.46 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1d5x h PRO 56 CO -0.54 0.29 -0.34 -0.44 -0.21 0.00 0.00 178.00 176.76 1d5x h ASP 57 N 0.46 0.85 -0.49 -2.05 3.32 -1.64 -2.73 116.42 114.13 1d5x h ASP 57 Ca 0.27 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1d5x h ASP 57 Cb 0.26 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1d5x h ASP 57 CO -0.24 1.11 0.12 0.00 -1.72 0.00 0.00 179.24 178.51 1d5x h ALA 58 N 0.94 0.65 0.00 3.45 0.00 -0.80 0.13 119.26 123.62 1d5x h ALA 58 Ca 0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1d5x h ALA 58 Cb 0.89 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1d5x h ALA 58 CO 0.08 0.34 -0.30 0.93 0.00 0.00 0.00 179.25 180.30 1d5x h GLU 59 N 0.68 0.00 0.01 0.00 5.08 -1.31 -1.81 114.58 117.23 1d5x h GLU 59 Ca 0.15 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1d5x h GLU 59 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1d5x h GLU 59 CO 0.00 0.30 -1.09 -0.92 -1.00 0.00 0.00 179.01 176.30 1d5x h TYR 60 N 0.00 0.04 -0.64 4.33 3.20 -1.27 -3.33 116.97 119.29 1d5x h TYR 60 Ca -0.00 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1d5x h TYR 60 Cb 0.58 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1d5x h TYR 60 CO 0.00 1.43 0.42 -1.49 -1.64 0.00 0.00 178.16 176.88 1d5x h TRP 61 N -0.93 0.81 0.00 -3.82 6.55 -0.78 -1.82 115.95 115.96 1d5x h TRP 61 Ca -0.30 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1d5x h TRP 61 Cb 1.30 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 29.33 1d5x h TRP 61 CO 0.13 0.52 0.00 0.09 -1.05 0.00 0.00 178.44 178.12 1d5x n ASN 62 N -4.63 0.00 0.02 -3.49 3.02 -0.68 -1.73 115.26 107.76 1d5x n ASN 62 Ca 0.05 0.34 0.11 0.00 -0.03 0.00 0.00 54.58 55.05 1d5x n ASN 62 Cb 0.02 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 38.74 1d5x n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1d5x n SER 63 N -1.38 0.51 -4.66 6.41 3.41 -0.69 -4.84 113.62 112.39 1d5x n SER 63 Ca 0.02 -0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.96 1d5x n SER 63 Cb 0.06 1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 1d5x n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1d5x s GLN 64 N -3.28 4.25 0.03 4.33 -0.21 -0.71 -4.95 119.66 119.13 1d5x s GLN 64 Ca 0.00 1.16 -0.16 0.00 0.02 0.00 0.00 55.36 56.38 1d5x s GLN 64 Cb 0.14 -3.62 -0.31 0.00 1.00 0.00 0.00 33.01 30.22 1d5x s GLN 64 CO 0.85 -0.52 1.05 -0.22 -2.12 0.00 0.00 175.29 174.33 1d5x h LYS 65 N 7.49 0.56 -0.49 2.91 1.63 -1.88 -2.93 116.57 123.85 1d5x h LYS 65 Ca -0.23 -0.82 -0.01 0.00 -0.85 0.00 0.00 60.65 58.75 1d5x h LYS 65 Cb 1.09 0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 1d5x h LYS 65 CO 0.91 1.37 0.27 0.22 -3.45 0.00 0.00 179.45 178.77 1d5x h ASP 66 N 0.15 0.62 -0.54 4.20 3.58 -1.97 -1.66 116.42 120.81 1d5x h ASP 66 Ca -0.20 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 1d5x h ASP 66 Cb 1.93 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.80 1d5x h ASP 66 CO 0.24 0.54 0.23 0.25 -2.88 0.00 0.00 179.24 177.61 1d5x h LEU 67 N 0.66 0.73 -0.63 2.28 5.85 -1.93 -2.59 115.31 119.68 1d5x h LEU 67 Ca 0.17 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1d5x h LEU 67 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1d5x h LEU 67 CO -0.03 0.69 0.30 -0.07 -0.34 0.00 0.00 178.44 178.99 1d5x h LEU 68 N 0.73 0.83 -0.04 2.25 3.38 -1.31 -1.91 115.31 119.24 1d5x h LEU 68 Ca 0.18 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1d5x h LEU 68 Cb 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1d5x h LEU 68 CO -0.02 0.73 -0.28 -0.08 0.09 0.00 0.00 178.44 178.88 1d5x h GLU 69 N 0.87 -0.39 -0.85 1.13 4.22 -1.19 -0.15 114.58 118.22 1d5x h GLU 69 Ca 0.22 0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.79 1d5x h GLU 69 Cb 0.12 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1d5x h GLU 69 CO -0.03 -0.26 0.55 1.96 -2.18 0.00 0.00 179.01 179.06 1d5x h GLN 70 N -0.40 0.77 -0.01 1.92 4.20 -1.17 -0.46 115.11 119.96 1d5x h GLN 70 Ca 0.07 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 1d5x h GLN 70 Cb 0.51 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1d5x h GLN 70 CO -0.27 0.51 -0.76 0.87 -0.67 0.00 0.00 178.83 178.51 1d5x h LYS 71 N 0.79 0.12 0.00 1.46 1.79 -0.68 -2.61 116.57 117.45 1d5x h LYS 71 Ca 0.40 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.64 1d5x h LYS 71 Cb 0.48 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1d5x h LYS 71 CO -0.17 0.82 -0.54 0.00 -1.08 0.00 0.00 179.45 178.48 1d5x h ARG 72 N 0.08 0.00 0.00 3.15 3.08 0.48 -2.96 114.38 118.20 1d5x h ARG 72 Ca -0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1d5x h ARG 72 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 1d5x h ARG 72 CO 0.11 0.54 -0.70 0.00 -1.07 0.00 0.00 179.97 178.85 1d5x h ALA 73 N 1.46 0.62 -0.80 0.04 0.00 -1.10 -3.38 119.26 116.10 1d5x h ALA 73 Ca -0.01 -0.58 0.29 0.00 0.00 0.00 0.00 54.91 54.62 1d5x h ALA 73 Cb 0.98 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 1d5x h ALA 73 CO 0.07 0.76 0.29 0.00 0.00 0.00 0.00 179.25 180.37 1d5x n ALA 74 N -2.27 0.68 -0.04 0.00 0.00 -0.99 0.44 120.51 118.33 1d5x n ALA 74 Ca 0.00 0.83 0.17 0.00 0.00 0.00 0.00 53.44 54.44 1d5x n ALA 74 Cb 0.78 -0.75 0.61 0.00 0.00 0.00 0.00 19.45 20.10 1d5x n ALA 74 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1d5x h VAL 75 N 0.00 0.79 0.00 0.00 -1.51 -1.78 0.29 116.25 114.04 1d5x h VAL 75 Ca 0.61 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 66.02 1d5x h VAL 75 Cb 1.52 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1d5x h VAL 75 CO -0.66 0.03 -0.48 0.47 -1.23 0.00 0.00 177.57 175.70 1d5x n ASP 76 N -4.42 1.26 -0.03 4.19 8.00 0.17 -1.19 116.55 124.53 1d5x n ASP 76 Ca 0.10 0.40 0.15 0.00 0.71 0.00 0.00 54.79 56.15 1d5x n ASP 76 Cb 0.52 -0.72 0.59 0.00 -0.02 0.00 0.00 41.12 41.49 1d5x n ASP 76 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1d5x h THR 77 N -0.68 0.83 0.00 -3.53 2.02 -1.38 -2.46 112.91 107.71 1d5x h THR 77 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1d5x h THR 77 Cb 0.48 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1d5x h THR 77 CO 0.00 0.04 -0.05 0.00 0.37 0.00 0.00 175.52 175.88 1d5x n TYR 78 N -4.44 0.00 0.21 3.16 9.36 0.84 -4.44 117.16 121.85 1d5x n TYR 78 Ca 0.09 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.16 1d5x n TYR 78 Cb 0.45 -0.02 -0.08 0.00 -0.63 0.00 0.00 39.34 39.06 1d5x n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1d5x h ARG 80 N -0.80 1.02 0.19 0.00 3.08 -1.17 -1.29 114.38 115.42 1d5x h ARG 80 Ca -0.04 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1d5x h ARG 80 Cb 0.72 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1d5x h ARG 80 CO -0.10 0.90 -0.20 1.25 -1.07 0.00 0.00 179.97 180.75 1d5x h HIS 81 N 0.98 -0.53 -0.31 3.04 2.76 -1.36 -2.45 115.15 117.29 1d5x h HIS 81 Ca 0.21 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1d5x h HIS 81 Cb 0.33 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1d5x h HIS 81 CO 0.02 -0.30 -0.09 -0.91 -1.30 0.00 0.00 177.93 175.35 1d5x h ASN 82 N -0.43 0.48 0.02 3.26 2.35 -0.96 -2.65 115.58 117.66 1d5x h ASN 82 Ca 0.00 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1d5x h ASN 82 Cb 0.41 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1d5x h ASN 82 CO -0.05 0.61 -0.06 0.22 -1.65 0.00 0.00 177.43 176.50 1d5x h TYR 83 N 0.47 -0.15 0.00 1.19 3.20 -1.07 -1.58 116.97 119.03 1d5x h TYR 83 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1d5x h TYR 83 Cb 0.44 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1d5x h TYR 83 CO 0.01 -0.09 0.00 0.78 -1.64 0.00 0.00 178.16 177.22 1d5x h GLY 84 N -0.11 0.00 0.86 1.82 0.00 -1.09 0.87 103.07 105.42 1d5x h GLY 84 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.03 1d5x h GLY 84 CO -0.04 0.00 -1.80 -0.62 0.00 0.00 0.00 176.54 174.08 1d5x n VAL 85 N -2.71 1.65 0.74 4.60 0.31 -0.79 -4.39 118.33 117.74 1d5x n VAL 85 Ca -0.01 -0.76 0.07 0.00 -0.01 0.00 0.00 64.34 63.63 1d5x n VAL 85 Cb 0.11 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 1d5x n VAL 85 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d5x n GLY 86 N 1.67 -0.49 0.32 2.92 0.00 -0.67 -4.43 105.19 104.51 1d5x n GLY 86 Ca -0.21 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.43 1d5x n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1d5x h GLU 87 N 0.00 0.44 -0.74 1.61 4.81 -1.04 -1.05 114.58 118.61 1d5x h GLU 87 Ca 0.00 -0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.42 1d5x h GLU 87 Cb 0.37 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1d5x h GLU 87 CO 0.00 0.29 0.68 0.77 -0.73 0.00 0.00 179.01 180.02 1d5x h SER 88 N 0.45 0.00 0.00 1.04 0.02 -1.82 -2.50 113.55 110.74 1d5x h SER 88 Ca 0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1d5x h SER 88 Cb 0.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1d5x h SER 88 CO -0.04 0.00 -0.37 2.22 -1.14 0.00 0.00 176.83 177.49 1d5x n PHE 89 N -3.81 0.00 0.01 3.45 1.16 -0.48 -4.65 117.46 113.13 1d5x n PHE 89 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 1d5x n PHE 89 Cb 0.94 0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.87 1d5x n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1d5x n THR 90 N 0.03 0.08 -0.19 1.97 -2.24 -0.68 -4.45 114.28 108.80 1d5x n THR 90 Ca -0.01 0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1d5x n THR 90 Cb 0.67 -0.88 0.20 0.00 -2.10 0.00 0.00 70.33 68.22 1d5x n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1d5x h VAL 91 N 0.00 1.21 -0.32 2.28 2.07 -1.74 -2.56 116.25 117.19 1d5x h VAL 91 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1d5x h VAL 91 Cb 0.00 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1d5x h VAL 91 CO 0.00 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1d5x n GLN 92 N -4.34 2.14 -2.29 1.57 1.13 -0.95 -4.94 117.38 109.69 1d5x n GLN 92 Ca 0.06 -1.73 -0.41 0.00 -1.94 0.00 0.00 57.00 52.98 1d5x n GLN 92 Cb 0.13 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 1d5x n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1d5x s ARG 93 N -1.58 4.42 -0.09 -1.09 3.52 -0.97 -4.92 118.95 118.24 1d5x s ARG 93 Ca 0.35 1.96 -0.04 0.00 -0.13 0.00 0.00 55.73 57.87 1d5x s ARG 93 Cb 0.20 -3.24 0.05 0.00 -1.56 0.00 0.00 34.95 30.39 1d5x s ARG 93 CO 0.28 -0.23 0.18 1.03 -0.81 0.00 0.00 175.30 175.75 1d5x s ARG 94 N 0.22 0.09 -0.10 5.12 0.52 -1.26 -4.20 118.95 119.34 1d5x s ARG 94 Ca 0.57 0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 56.28 1d5x s ARG 94 Cb -0.34 -0.18 0.03 0.00 0.52 0.00 0.00 34.95 34.98 1d5x s ARG 94 CO 0.35 -0.23 0.01 0.14 0.02 0.00 0.00 175.30 175.58 1d5x s VAL 95 N 1.76 0.43 0.58 3.52 -7.23 -0.56 -4.98 120.40 113.92 1d5x s VAL 95 Ca -0.03 -0.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.91 1d5x s VAL 95 Cb -0.12 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 1d5x s VAL 95 CO -0.07 0.17 1.22 -0.72 -0.31 0.00 0.00 175.10 175.39 1d5x s TYR 96 N 1.94 2.41 0.46 2.82 -0.85 -1.26 -2.11 117.35 120.75 1d5x s TYR 96 Ca 0.04 1.50 -0.06 0.00 -0.52 0.00 0.00 57.07 58.03 1d5x s TYR 96 Cb -0.13 -3.51 -0.04 0.00 0.38 0.00 0.00 41.96 38.66 1d5x s TYR 96 CO -0.06 -2.24 0.77 -1.25 -1.52 0.00 0.00 175.55 171.25 1d5x s PRO 97 N -3.24 3.59 -0.32 -3.49 0.04 -1.26 -4.50 135.00 125.82 1d5x s PRO 97 Ca 0.76 0.23 -0.07 0.00 0.04 0.00 0.00 61.00 61.96 1d5x s PRO 97 Cb -0.31 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 31.86 1d5x s PRO 97 CO 0.35 -0.15 0.09 -2.00 0.04 0.00 0.00 177.00 175.33 1d5x s GLU 98 N -4.52 2.81 -0.04 4.56 2.12 -0.79 -4.88 118.70 117.95 1d5x s GLU 98 Ca 0.48 -1.05 -0.16 0.00 0.36 0.00 0.00 54.97 54.60 1d5x s GLU 98 Cb -0.10 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1d5x s GLU 98 CO 0.42 -0.57 0.43 0.08 -0.54 0.00 0.00 175.26 175.07 1d5x s VAL 99 N 1.44 5.07 -0.02 3.70 1.01 -1.26 -1.13 120.40 129.21 1d5x s VAL 99 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1d5x s VAL 99 Cb -0.19 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1d5x s VAL 99 CO 0.03 0.50 0.01 -0.89 0.00 0.00 0.00 175.10 174.74 1d5x s THR 100 N -0.53 0.10 -0.13 3.92 2.01 0.60 -4.96 115.64 116.66 1d5x s THR 100 Ca 0.24 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1d5x s THR 100 Cb -0.16 -0.21 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1d5x s THR 100 CO 0.12 0.12 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.29 1d5x s VAL 101 N 0.97 2.36 -0.00 3.82 1.01 -1.26 0.11 120.40 127.41 1d5x s VAL 101 Ca -0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1d5x s VAL 101 Cb -0.13 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1d5x s VAL 101 CO -0.02 0.54 0.11 -0.72 0.00 0.00 0.00 175.10 175.01 1d5x s TYR 102 N 0.57 0.05 0.00 5.22 -0.85 -0.49 -5.00 117.35 116.84 1d5x s TYR 102 Ca -0.12 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1d5x s TYR 102 Cb -0.16 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.12 1d5x s TYR 102 CO 0.04 -0.23 0.00 -0.35 -1.52 0.00 0.00 175.55 173.48 1d5x n PRO 103 N 1.74 -0.43 -4.12 -3.49 -0.04 -1.26 -0.98 135.00 126.42 1d5x n PRO 103 Ca -0.21 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.15 1d5x n PRO 103 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 1d5x n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d5x s ALA 104 N -2.01 0.75 0.14 0.55 0.00 -0.34 -4.25 121.76 116.60 1d5x s ALA 104 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1d5x s ALA 104 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1d5x s ALA 104 CO 0.00 -0.23 0.22 1.63 0.00 0.00 0.00 175.76 177.37 1d5x n LYS 105 N 0.30 0.01 -3.46 0.00 5.02 -1.26 -4.71 118.16 114.06 1d5x n LYS 105 Ca -0.15 0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 1d5x n LYS 105 Cb 0.60 -0.57 -0.10 0.00 -0.02 0.00 0.00 35.03 34.94 1d5x n LYS 105 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1d5x s ASN 113 N -2.13 6.11 -0.11 4.39 3.84 -1.26 -5.27 114.94 120.51 1d5x s ASN 113 Ca 0.00 -0.86 0.03 0.00 0.21 0.00 0.00 52.86 52.24 1d5x s ASN 113 Cb 0.00 -2.16 -0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1d5x s ASN 113 CO 0.00 -0.44 -0.20 -0.76 -2.79 0.00 0.00 177.10 172.91 1d5x s LEU 114 N 1.71 2.31 -0.48 3.21 1.43 -1.26 -2.37 118.68 123.23 1d5x s LEU 114 Ca 0.05 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1d5x s LEU 114 Cb -0.19 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1d5x s LEU 114 CO 0.10 0.16 0.64 -0.22 0.23 0.00 0.00 176.35 177.26 1d5x s LEU 115 N 0.36 4.70 0.09 1.79 0.20 0.04 -1.20 118.68 124.65 1d5x s LEU 115 Ca -0.16 -0.62 -0.15 0.00 0.69 0.00 0.00 54.13 53.89 1d5x s LEU 115 Cb -0.17 -2.58 -0.06 0.00 -0.43 0.00 0.00 46.19 42.94 1d5x s LEU 115 CO 0.08 -0.85 0.50 -0.69 -0.29 0.00 0.00 176.35 175.10 1d5x s VAL 116 N 2.77 4.89 -0.22 1.68 1.01 -0.15 -0.04 120.40 130.34 1d5x s VAL 116 Ca 0.19 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1d5x s VAL 116 Cb -0.16 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1d5x s VAL 116 CO 0.15 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 1d5x s SER 118 N 1.33 5.18 -0.26 0.00 0.15 0.31 -1.03 113.70 119.38 1d5x s SER 118 Ca -0.04 -0.97 -0.13 0.00 0.70 0.00 0.00 55.95 55.51 1d5x s SER 118 Cb -0.18 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1d5x s SER 118 CO -0.07 -0.26 0.27 -0.69 1.20 0.00 0.00 173.24 173.69 1d5x s VAL 119 N 1.43 5.26 0.32 4.45 1.01 -0.83 -0.29 120.40 131.74 1d5x s VAL 119 Ca -0.00 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.43 1d5x s VAL 119 Cb -0.18 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1d5x s VAL 119 CO 0.02 0.23 -0.05 0.20 0.00 0.00 0.00 175.10 175.50 1d5x s ASN 120 N 1.50 3.21 -0.99 3.32 0.01 -0.28 -1.89 114.94 119.82 1d5x s ASN 120 Ca 0.11 -1.23 -0.06 0.00 -0.71 0.00 0.00 52.86 50.97 1d5x s ASN 120 Cb -0.15 -0.25 0.01 0.00 0.41 0.00 0.00 41.25 41.26 1d5x s ASN 120 CO 0.09 -0.33 0.11 0.61 -1.51 0.00 0.00 177.10 176.07 1d5x n GLY 121 N -0.71 -0.19 3.74 0.66 0.00 -1.04 -1.89 105.19 105.76 1d5x n GLY 121 Ca -0.05 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1d5x n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1d5x s PHE 122 N -3.95 2.62 -0.21 1.61 -0.12 -0.96 -4.50 117.98 112.47 1d5x s PHE 122 Ca 0.08 -0.56 -0.27 0.00 -0.05 0.00 0.00 56.93 56.13 1d5x s PHE 122 Cb -0.04 -1.93 0.10 0.00 -0.63 0.00 0.00 43.02 40.52 1d5x s PHE 122 CO 0.67 0.19 0.88 -0.47 -0.05 0.00 0.00 175.22 176.44 1d5x s TYR 123 N -2.58 -0.56 0.00 3.49 5.04 -0.90 -0.24 117.35 121.61 1d5x s TYR 123 Ca 0.41 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1d5x s TYR 123 Cb 0.03 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.71 1d5x s TYR 123 CO 0.23 -0.36 0.00 -2.30 -1.34 0.00 0.00 175.55 171.78 1d5x n PRO 124 N 1.76 3.03 -0.06 4.97 -0.02 -1.26 -1.50 135.00 141.91 1d5x n PRO 124 Ca -0.14 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.16 1d5x n PRO 124 Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.91 1d5x n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d5x n GLY 125 N 1.44 -0.52 3.61 -1.23 0.00 -1.26 -4.80 105.19 102.43 1d5x n GLY 125 Ca 0.00 -0.22 -0.63 0.00 0.00 0.00 0.00 46.02 45.16 1d5x n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1d5x n SER 126 N -3.32 1.40 -3.66 1.61 2.88 -1.26 -4.92 113.62 106.35 1d5x n SER 126 Ca -0.37 1.00 -0.13 0.00 -1.33 0.00 0.00 58.87 58.04 1d5x n SER 126 Cb 1.03 -0.96 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 1d5x n SER 126 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1d5x s ILE 127 N 4.06 -0.00 -0.24 2.46 1.10 -1.26 -4.44 121.20 122.88 1d5x s ILE 127 Ca 1.07 0.00 -0.02 0.00 -0.51 0.00 0.00 60.65 61.20 1d5x s ILE 127 Cb -1.38 -0.87 0.07 0.00 0.15 0.00 0.00 42.46 40.44 1d5x s ILE 127 CO 0.73 0.00 0.05 -1.61 -2.11 0.00 0.00 174.94 172.00 1d5x s GLU 128 N 0.40 0.77 -0.23 3.50 2.02 -1.15 -4.99 118.70 119.02 1d5x s GLU 128 Ca -0.01 -0.69 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 1d5x s GLU 128 Cb -0.04 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 32.09 1d5x s GLU 128 CO -0.00 -0.76 -0.02 0.08 0.02 0.00 0.00 175.26 174.58 1d5x s VAL 129 N 1.74 3.44 0.17 2.63 1.01 -1.26 -1.27 120.40 126.86 1d5x s VAL 129 Ca 0.02 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.56 1d5x s VAL 129 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1d5x s VAL 129 CO -0.14 0.36 -0.23 0.00 0.00 0.00 0.00 175.10 175.08 1d5x s ARG 130 N 1.47 1.43 0.00 2.72 3.03 -0.72 -4.97 118.95 121.92 1d5x s ARG 130 Ca 0.05 -1.46 0.04 0.00 2.03 0.00 0.00 55.73 56.39 1d5x s ARG 130 Cb -0.15 -1.73 -0.03 0.00 -1.03 0.00 0.00 34.95 32.01 1d5x s ARG 130 CO -0.02 0.38 -0.11 -1.58 -1.13 0.00 0.00 175.30 172.83 1d5x s TRP 131 N -1.62 2.77 -0.09 5.89 0.52 -1.26 -1.16 118.94 123.99 1d5x s TRP 131 Ca 0.18 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.19 1d5x s TRP 131 Cb -0.08 -1.58 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1d5x s TRP 131 CO 0.08 0.31 -0.09 -0.06 0.02 0.00 0.00 176.95 177.21 1d5x s PHE 132 N -0.93 1.41 -0.48 -1.98 0.08 0.13 -1.78 117.98 114.44 1d5x s PHE 132 Ca 0.15 -0.63 -0.20 0.00 0.12 0.00 0.00 56.93 56.37 1d5x s PHE 132 Cb -0.11 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1d5x s PHE 132 CO 0.05 -0.41 0.65 0.50 -0.10 0.00 0.00 175.22 175.91 1d5x s ARG 133 N 1.33 3.21 -1.54 0.44 3.52 0.22 -1.02 118.95 125.11 1d5x s ARG 133 Ca -0.02 -0.60 -0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1d5x s ARG 133 Cb -0.14 -4.02 0.06 0.00 -1.56 0.00 0.00 34.95 29.29 1d5x s ARG 133 CO -0.04 -1.13 0.54 -1.71 -0.81 0.00 0.00 175.30 172.15 1d5x n ASN 134 N 6.30 -1.45 0.00 -2.12 5.15 0.28 -0.77 115.26 122.65 1d5x n ASN 134 Ca -0.04 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1d5x n ASN 134 Cb 0.47 -2.83 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 1d5x n ASN 134 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1d5x n GLY 135 N -1.80 3.08 3.86 8.20 0.00 -1.26 -4.94 105.19 112.34 1d5x n GLY 135 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1d5x n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d5x s GLN 136 N -0.28 3.67 0.62 1.61 -1.52 0.05 -5.01 119.66 118.80 1d5x s GLN 136 Ca 0.00 0.10 -0.17 0.00 -1.95 0.00 0.00 55.36 53.33 1d5x s GLN 136 Cb 0.00 -3.16 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1d5x s GLN 136 CO 0.00 0.70 1.16 -2.00 -0.25 0.00 0.00 175.29 174.90 1d5x s GLU 137 N -1.30 2.90 -0.35 2.91 2.12 -1.26 0.71 118.70 124.42 1d5x s GLU 137 Ca 0.23 1.64 0.03 0.00 0.36 0.00 0.00 54.97 57.22 1d5x s GLU 137 Cb -0.14 -1.94 0.10 0.00 0.26 0.00 0.00 34.13 32.41 1d5x s GLU 137 CO 0.11 -1.22 0.09 -1.21 -0.54 0.00 0.00 175.26 172.49 1d5x s GLU 138 N -3.62 1.33 0.00 4.30 0.41 -0.74 -4.76 118.70 115.63 1d5x s GLU 138 Ca 0.73 -1.75 0.18 0.00 -0.41 0.00 0.00 54.97 53.71 1d5x s GLU 138 Cb -0.26 -2.90 0.51 0.00 -1.78 0.00 0.00 34.13 29.71 1d5x s GLU 138 CO 0.36 -0.97 1.43 1.63 -0.49 0.00 0.00 175.26 177.21 1d5x n LYS 139 N 4.27 2.34 -3.66 1.61 5.02 -1.26 -4.60 118.16 121.87 1d5x n LYS 139 Ca 0.03 -2.08 -0.36 0.00 -2.02 0.00 0.00 58.31 53.88 1d5x n LYS 139 Cb 0.41 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 1d5x n LYS 139 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1d5x s THR 140 N -1.23 5.37 -0.90 -0.18 2.01 -1.26 -4.62 115.64 114.83 1d5x s THR 140 Ca 0.39 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 1d5x s THR 140 Cb 0.20 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 1d5x s THR 140 CO 0.26 0.38 0.68 0.61 -0.69 0.00 0.00 174.62 175.87 1d5x n GLY 141 N 3.92 -1.19 2.78 4.40 0.00 -1.26 -4.72 105.19 109.12 1d5x n GLY 141 Ca -0.15 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1d5x n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5x s VAL 142 N -3.14 1.45 -0.19 1.61 1.01 -1.26 -2.03 120.40 117.86 1d5x s VAL 142 Ca 0.15 -2.26 -0.24 0.00 0.00 0.00 0.00 61.98 59.63 1d5x s VAL 142 Cb -0.06 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1d5x s VAL 142 CO 0.85 -0.79 0.80 0.68 0.00 0.00 0.00 175.10 176.64 1d5x s VAL 143 N 0.73 4.89 -0.01 2.92 -7.23 -1.20 -4.95 120.40 115.56 1d5x s VAL 143 Ca 0.14 1.55 0.03 0.00 -1.81 0.00 0.00 61.98 61.90 1d5x s VAL 143 Cb -0.22 -4.10 -0.03 0.00 0.56 0.00 0.00 36.38 32.59 1d5x s VAL 143 CO -0.08 0.01 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.08 1d5x s SER 144 N 1.21 4.39 -1.27 4.85 0.15 -1.26 -2.84 113.70 118.93 1d5x s SER 144 Ca 0.36 -0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 1d5x s SER 144 Cb -0.16 -0.98 0.16 0.00 -1.71 0.00 0.00 66.02 63.33 1d5x s SER 144 CO 0.11 0.30 2.22 1.07 1.20 0.00 0.00 173.24 178.15 1d5x n THR 145 N 1.82 5.29 0.00 6.45 5.66 -0.56 -4.99 114.28 127.94 1d5x n THR 145 Ca -0.16 -4.63 0.00 0.00 -3.05 0.00 0.00 64.05 56.21 1d5x n THR 145 Cb 0.52 -2.02 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 1d5x n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d5x n GLY 146 N 1.55 0.82 2.80 1.09 0.00 -1.26 -4.22 105.19 105.96 1d5x n GLY 146 Ca 0.57 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1d5x n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d5x s LEU 147 N 0.00 2.81 0.23 0.99 2.96 -1.26 -4.54 118.68 119.88 1d5x s LEU 147 Ca 0.00 -1.78 -0.30 0.00 -0.22 0.00 0.00 54.13 51.83 1d5x s LEU 147 Cb 0.00 -1.04 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 1d5x s LEU 147 CO 0.00 -0.40 1.08 -0.63 -1.32 0.00 0.00 176.35 175.07 1d5x s ILE 148 N 1.42 3.71 -0.20 6.68 1.01 0.95 -4.92 121.20 129.86 1d5x s ILE 148 Ca 0.10 1.62 -0.07 0.00 0.00 0.00 0.00 60.65 62.31 1d5x s ILE 148 Cb -0.18 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1d5x s ILE 148 CO -0.21 0.35 0.06 -1.58 0.00 0.00 0.00 174.94 173.56 1d5x s GLN 149 N -0.99 3.85 0.08 2.79 0.74 -1.26 -1.25 119.66 123.61 1d5x s GLN 149 Ca 0.46 -0.40 0.25 0.00 0.05 0.00 0.00 55.36 55.72 1d5x s GLN 149 Cb -0.30 -3.22 0.52 0.00 1.10 0.00 0.00 33.01 31.11 1d5x s GLN 149 CO 0.37 0.13 1.45 0.09 -0.55 0.00 0.00 175.29 176.79 1d5x n ASN 150 N 3.95 0.58 0.00 6.67 3.02 -0.37 -4.95 115.26 124.16 1d5x n ASN 150 Ca -0.16 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1d5x n ASN 150 Cb 0.52 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1d5x n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5x n GLY 151 N 1.40 0.78 1.34 7.41 0.00 -1.26 -4.89 105.19 109.97 1d5x n GLY 151 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1d5x n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d5x n ASP 152 N 0.00 2.23 -2.62 1.61 5.75 -1.26 -4.93 116.55 117.33 1d5x n ASP 152 Ca 0.00 -3.25 -0.19 0.00 -0.01 0.00 0.00 54.79 51.34 1d5x n ASP 152 Cb 0.00 -0.43 0.03 0.00 -1.03 0.00 0.00 41.12 39.69 1d5x n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1d5x n TRP 153 N -0.61 -1.68 -4.00 2.11 7.02 -1.26 -4.99 117.44 114.02 1d5x n TRP 153 Ca 0.20 0.44 -0.12 0.00 -1.02 0.00 0.00 57.50 57.01 1d5x n TRP 153 Cb 0.86 -4.03 -0.12 0.00 -2.42 0.00 0.00 31.31 25.60 1d5x n TRP 153 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1d5x s THR 154 N -3.09 0.22 0.26 -0.99 2.01 -1.26 -4.70 115.64 108.09 1d5x s THR 154 Ca 0.26 -0.64 0.10 0.00 0.31 0.00 0.00 61.69 61.72 1d5x s THR 154 Cb -0.11 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1d5x s THR 154 CO 0.32 -0.27 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.46 1d5x s PHE 155 N -0.91 2.07 -0.02 4.92 0.40 0.67 -1.24 117.98 123.87 1d5x s PHE 155 Ca -0.08 -0.47 -0.15 0.00 -0.60 0.00 0.00 56.93 55.63 1d5x s PHE 155 Cb -0.07 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.51 1d5x s PHE 155 CO -0.00 0.54 0.31 -1.14 0.70 0.00 0.00 175.22 175.62 1d5x s GLN 156 N -3.59 0.65 -0.21 0.44 0.74 -0.38 -2.26 119.66 115.05 1d5x s GLN 156 Ca 0.28 -0.17 -0.27 0.00 0.05 0.00 0.00 55.36 55.25 1d5x s GLN 156 Cb -0.02 0.29 0.08 0.00 1.10 0.00 0.00 33.01 34.46 1d5x s GLN 156 CO 0.12 -0.18 0.78 -0.08 -0.55 0.00 0.00 175.29 175.39 1d5x s THR 157 N -1.26 0.00 -0.08 -0.34 -1.32 -0.79 -0.03 115.64 111.82 1d5x s THR 157 Ca -0.13 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.40 1d5x s THR 157 Cb -0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.93 1d5x s THR 157 CO 0.04 0.00 -0.23 -0.76 -2.21 0.00 0.00 174.62 171.46 1d5x s LEU 158 N -0.10 2.18 -0.21 9.08 1.02 -1.26 -1.97 118.68 127.42 1d5x s LEU 158 Ca -0.02 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.62 1d5x s LEU 158 Cb -0.04 -1.42 0.06 0.00 0.02 0.00 0.00 46.19 44.82 1d5x s LEU 158 CO 0.02 0.22 0.04 -0.69 0.02 0.00 0.00 176.35 175.96 1d5x s VAL 159 N -0.01 0.58 0.20 -1.59 1.01 -0.20 -1.49 120.40 118.90 1d5x s VAL 159 Ca -0.08 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1d5x s VAL 159 Cb -0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1d5x s VAL 159 CO 0.05 -0.26 0.13 0.00 0.00 0.00 0.00 175.10 175.02 1d5x s MET 160 N 1.82 2.80 -0.21 2.72 0.23 -1.13 -1.38 119.30 124.15 1d5x s MET 160 Ca -0.00 -1.00 -0.06 0.00 -1.03 0.00 0.00 55.69 53.60 1d5x s MET 160 Cb -0.17 -2.55 -0.03 0.00 -1.53 0.00 0.00 34.83 30.55 1d5x s MET 160 CO -0.10 0.45 0.03 -1.17 -2.03 0.00 0.00 175.02 172.20 1d5x s LEU 161 N -3.36 3.39 -0.39 0.18 2.96 0.95 -3.23 118.68 119.19 1d5x s LEU 161 Ca 0.31 -0.16 -0.25 0.00 -0.22 0.00 0.00 54.13 53.80 1d5x s LEU 161 Cb -0.09 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1d5x s LEU 161 CO 0.23 0.05 0.90 -0.70 -1.32 0.00 0.00 176.35 175.51 1d5x s GLU 162 N 1.12 3.76 0.05 1.98 2.12 -0.86 -0.78 118.70 126.09 1d5x s GLU 162 Ca 0.03 0.44 -0.27 0.00 0.36 0.00 0.00 54.97 55.53 1d5x s GLU 162 Cb -0.14 -3.83 0.09 0.00 0.26 0.00 0.00 34.13 30.50 1d5x s GLU 162 CO 0.02 -0.99 0.88 -0.08 -0.54 0.00 0.00 175.26 174.55 1d5x s THR 163 N 3.47 0.00 -0.75 -1.70 -1.32 -1.00 -4.88 115.64 109.47 1d5x s THR 163 Ca 0.37 -0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 60.66 1d5x s THR 163 Cb -0.12 -1.25 0.19 0.00 -1.51 0.00 0.00 72.50 69.80 1d5x s THR 163 CO 0.20 0.00 0.58 -0.69 -2.21 0.00 0.00 174.62 172.51 1d5x s VAL 164 N -3.22 3.85 0.25 5.08 1.01 -1.26 -4.43 120.40 121.67 1d5x s VAL 164 Ca 0.06 -3.53 -0.31 0.00 0.00 0.00 0.00 61.98 58.21 1d5x s VAL 164 Cb -0.01 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 1d5x s VAL 164 CO -0.06 -0.98 1.45 -2.65 0.00 0.00 0.00 175.10 172.86 1d5x n PRO 165 N 2.79 2.17 -2.80 2.72 -0.02 -1.26 -5.03 135.00 133.57 1d5x n PRO 165 Ca 0.15 0.77 -0.22 0.00 -2.02 0.00 0.00 63.50 62.18 1d5x n PRO 165 Cb 0.37 -2.46 0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1d5x n PRO 165 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1d5x s ARG 166 N -0.38 1.98 0.03 -0.52 0.52 -1.26 -5.09 118.95 114.23 1d5x s ARG 166 Ca 0.68 -1.35 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 1d5x s ARG 166 Cb -0.62 -2.48 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 1d5x s ARG 166 CO 0.49 -1.16 0.42 -1.12 0.02 0.00 0.00 175.30 173.95 1d5x s SER 167 N -4.70 6.80 -0.42 0.23 0.01 -1.26 -4.44 113.70 109.92 1d5x s SER 167 Ca 0.64 0.96 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 1d5x s SER 167 Cb -0.06 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1d5x s SER 167 CO 0.42 0.29 0.59 0.61 0.41 0.00 0.00 173.24 175.55 1d5x n GLY 168 N 1.61 -1.30 3.47 3.44 0.00 -1.26 -5.05 105.19 106.09 1d5x n GLY 168 Ca -0.12 1.22 0.01 0.00 0.00 0.00 0.00 46.02 47.12 1d5x n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d5x s GLU 169 N -2.57 0.42 0.02 1.61 2.12 -1.26 -5.13 118.70 113.90 1d5x s GLU 169 Ca 0.24 1.03 -0.25 0.00 0.36 0.00 0.00 54.97 56.35 1d5x s GLU 169 Cb -0.07 0.61 -0.05 0.00 0.26 0.00 0.00 34.13 34.89 1d5x s GLU 169 CO 0.75 -0.18 0.75 0.08 -0.54 0.00 0.00 175.26 176.12 1d5x s VAL 170 N 2.69 4.82 -0.15 3.70 1.01 -1.26 -4.37 120.40 126.83 1d5x s VAL 170 Ca -0.02 1.59 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 1d5x s VAL 170 Cb -0.09 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1d5x s VAL 170 CO -0.18 0.33 -0.14 -0.31 0.00 0.00 0.00 175.10 174.81 1d5x s TYR 171 N 0.17 2.80 0.07 5.22 1.51 -1.01 1.00 117.35 127.12 1d5x s TYR 171 Ca 0.39 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 1d5x s TYR 171 Cb -0.20 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1d5x s TYR 171 CO 0.22 -0.37 -0.19 0.99 -1.11 0.00 0.00 175.55 175.09 1d5x s THR 172 N 0.67 1.54 -0.21 -0.71 2.01 -0.19 -0.84 115.64 117.91 1d5x s THR 172 Ca -0.07 -1.35 0.01 0.00 0.31 0.00 0.00 61.69 60.59 1d5x s THR 172 Cb -0.15 -1.39 0.05 0.00 0.01 0.00 0.00 72.50 71.02 1d5x s THR 172 CO 0.02 -0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 173.87 1d5x s GLN 174 N 1.41 3.68 -0.20 0.00 0.74 -0.31 -1.87 119.66 123.12 1d5x s GLN 174 Ca -0.03 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 1d5x s GLN 174 Cb -0.17 -3.24 0.06 0.00 1.10 0.00 0.00 33.01 30.75 1d5x s GLN 174 CO -0.07 0.66 0.00 0.08 -0.55 0.00 0.00 175.29 175.41 1d5x s VAL 175 N -0.74 0.84 0.21 1.34 1.01 0.30 -1.75 120.40 121.60 1d5x s VAL 175 Ca 0.16 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1d5x s VAL 175 Cb -0.13 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 1d5x s VAL 175 CO 0.05 -0.13 0.60 -1.61 0.00 0.00 0.00 175.10 174.01 1d5x s GLU 176 N 1.72 3.97 -0.29 2.72 2.02 -0.40 -1.38 118.70 127.06 1d5x s GLU 176 Ca -0.02 0.51 -0.22 0.00 0.02 0.00 0.00 54.97 55.26 1d5x s GLU 176 Cb -0.17 -2.77 0.13 0.00 0.10 0.00 0.00 34.13 31.42 1d5x s GLU 176 CO -0.07 0.37 1.03 -1.58 0.02 0.00 0.00 175.26 175.03 1d5x s HIS 177 N -1.65 -0.50 0.43 1.61 2.46 -1.26 -2.94 115.29 113.44 1d5x s HIS 177 Ca 0.44 1.12 0.25 0.00 0.47 0.00 0.00 55.06 57.34 1d5x s HIS 177 Cb -0.13 0.37 1.28 0.00 -0.13 0.00 0.00 32.58 33.96 1d5x s HIS 177 CO 0.20 -0.24 1.72 -1.35 -2.47 0.00 0.00 174.74 172.59 1d5x h PRO 178 N 4.82 0.22 0.00 2.88 0.11 -1.94 0.68 132.00 138.77 1d5x h PRO 178 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1d5x h PRO 178 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1d5x h PRO 178 CO 0.14 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 176.95 1d5x n SER 179 N -4.59 0.20 -4.59 -2.05 3.41 -1.26 -4.78 113.62 99.96 1d5x n SER 179 Ca 0.30 0.55 -0.30 0.00 -0.26 0.00 0.00 58.87 59.15 1d5x n SER 179 Cb 1.14 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1d5x n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1d5x s LEU 180 N -3.44 3.08 -0.15 1.04 1.43 0.23 -4.84 118.68 116.03 1d5x s LEU 180 Ca 0.07 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1d5x s LEU 180 Cb 0.10 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 1d5x s LEU 180 CO 0.33 0.20 0.05 0.71 0.23 0.00 0.00 176.35 177.86 1d5x h THR 181 N 3.32 0.42 -3.09 5.49 1.35 -1.86 -3.44 112.91 115.10 1d5x h THR 181 Ca -0.49 -1.46 -0.58 0.00 -0.55 0.00 0.00 66.41 63.34 1d5x h THR 181 Cb 1.17 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 1d5x h THR 181 CO 0.53 0.14 -0.33 -0.44 -0.25 0.00 0.00 175.52 175.17 1d5x s SER 182 N -6.06 6.46 0.45 5.36 0.01 -1.26 -5.06 113.70 113.60 1d5x s SER 182 Ca -0.17 0.53 -0.24 0.00 1.31 0.00 0.00 55.95 57.38 1d5x s SER 182 Cb 0.02 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 64.12 1d5x s SER 182 CO 0.33 0.04 1.23 -2.84 0.41 0.00 0.00 173.24 172.42 1d5x s PRO 183 N -2.77 3.73 0.03 12.44 0.02 -1.26 -4.94 135.00 142.25 1d5x s PRO 183 Ca 0.40 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 1d5x s PRO 183 Cb -0.12 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.85 1d5x s PRO 183 CO 0.26 -0.63 0.79 -1.17 -0.33 0.00 0.00 177.00 175.92 1d5x s LEU 184 N -2.90 4.42 -0.05 -5.54 0.20 -0.48 -4.90 118.68 109.43 1d5x s LEU 184 Ca 0.63 1.45 0.02 0.00 0.69 0.00 0.00 54.13 56.91 1d5x s LEU 184 Cb -0.33 -3.26 0.02 0.00 -0.43 0.00 0.00 46.19 42.18 1d5x s LEU 184 CO 0.41 -0.04 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.47 1d5x s THR 185 N 0.19 0.75 -0.25 3.68 2.01 -1.26 -0.54 115.64 120.22 1d5x s THR 185 Ca 0.40 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1d5x s THR 185 Cb -0.20 -0.73 0.07 0.00 0.01 0.00 0.00 72.50 71.64 1d5x s THR 185 CO 0.23 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1d5x s VAL 186 N 0.81 1.64 -0.19 3.82 1.01 -0.78 -4.99 120.40 121.72 1d5x s VAL 186 Ca -0.13 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 1d5x s VAL 186 Cb -0.15 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1d5x s VAL 186 CO 0.02 -0.16 0.22 -0.70 0.00 0.00 0.00 175.10 174.47 1d5x s GLU 187 N 1.33 4.21 -0.20 2.72 2.12 -1.26 -1.90 118.70 125.71 1d5x s GLU 187 Ca -0.04 -0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 1d5x s GLU 187 Cb -0.19 -3.44 0.08 0.00 0.26 0.00 0.00 34.13 30.84 1d5x s GLU 187 CO -0.07 0.23 0.15 -0.46 -0.54 0.00 0.00 175.26 174.57 1d5x s TRP 188 N 0.54 -0.01 0.00 5.30 -0.00 -0.02 -4.99 118.94 119.76 1d5x s TRP 188 Ca 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 56.10 56.05 1d5x s TRP 188 Cb -0.12 -0.58 0.00 0.00 -0.00 0.00 0.00 33.47 32.77 1d5x s TRP 188 CO 0.02 -0.60 0.03 0.54 -0.00 0.00 0.00 176.95 176.94 1d5x n ARG 189 N 5.29 0.00 0.00 5.86 1.74 -1.26 -2.39 116.66 125.90 1d5x n ARG 189 Ca -0.06 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1d5x n ARG 189 Cb 0.48 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1d5x n ARG 189 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11