#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6t h LEU 2 N 0.00 0.00 -1.07 2.46 3.38 -1.96 0.11 115.31 118.23 1i6t h LEU 2 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1i6t h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i6t h LEU 2 CO 0.00 0.00 -0.10 -0.07 0.09 0.00 0.00 178.44 178.36 1i6t h LEU 3 N 0.00 0.00 -0.06 1.67 3.38 -1.98 2.66 115.31 120.98 1i6t h LEU 3 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i6t h LEU 3 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1i6t h LEU 3 CO -0.00 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.22 1i6t n ASN 4 N -3.21 0.09 -4.74 -0.43 4.13 0.37 -4.73 115.26 106.75 1i6t n ASN 4 Ca 0.01 -1.91 -0.37 0.00 1.68 0.00 0.00 54.58 53.99 1i6t n ASN 4 Cb 0.40 -0.01 -0.07 0.00 -1.54 0.00 0.00 39.78 38.56 1i6t n ASN 4 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1i6t s VAL 5 N -1.98 5.26 0.85 2.41 1.01 0.89 -4.96 120.40 123.88 1i6t s VAL 5 Ca 0.06 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 1i6t s VAL 5 Cb 0.03 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.83 1i6t s VAL 5 CO 0.04 0.40 1.11 -2.84 0.00 0.00 0.00 175.10 173.81 1i6t s PRO 6 N 0.31 1.60 0.29 2.72 0.02 -1.26 -4.72 135.00 133.95 1i6t s PRO 6 Ca 0.19 1.28 -0.01 0.00 0.02 0.00 0.00 61.00 62.48 1i6t s PRO 6 Cb -0.14 -1.81 0.42 0.00 0.02 0.00 0.00 34.50 32.99 1i6t s PRO 6 CO 0.06 -2.14 1.84 0.00 -0.33 0.00 0.00 177.00 176.43 1i6t h ALA 7 N -1.50 1.25 -1.01 -1.55 0.00 -1.90 -3.42 119.26 111.13 1i6t h ALA 7 Ca -0.44 -0.19 0.32 0.00 0.00 0.00 0.00 54.91 54.59 1i6t h ALA 7 Cb 1.25 -0.22 -0.23 0.00 0.00 0.00 0.00 17.79 18.60 1i6t h ALA 7 CO 0.48 0.53 1.00 0.20 0.00 0.00 0.00 179.25 181.45 1i6t s GLY 8 N -3.63 -0.11 0.33 0.00 0.00 -1.26 -1.02 107.32 101.62 1i6t s GLY 8 Ca -0.10 2.19 0.02 0.00 0.00 0.00 0.00 44.72 46.83 1i6t s GLY 8 CO 0.80 0.77 1.92 1.70 0.00 0.00 0.00 173.10 178.28 1i6t h LYS 9 N 2.00 0.72 -0.64 2.90 3.64 -1.84 -3.39 116.57 119.97 1i6t h LYS 9 Ca -0.03 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.08 1i6t h LYS 9 Cb 1.14 -0.13 -0.15 0.00 -0.41 0.00 0.00 32.23 32.67 1i6t h LYS 9 CO 0.19 0.60 -0.48 -3.47 -2.27 0.00 0.00 179.45 174.02 1i6t n ASP 10 N -4.34 -3.24 -4.76 4.20 2.03 -0.75 -5.05 116.55 104.64 1i6t n ASP 10 Ca 0.04 -3.03 -0.34 0.00 0.52 0.00 0.00 54.79 51.98 1i6t n ASP 10 Cb 0.16 1.77 0.04 0.00 -0.72 0.00 0.00 41.12 42.37 1i6t n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1i6t s LEU 11 N 0.32 3.48 0.00 -2.67 1.02 -1.21 -1.43 118.68 118.20 1i6t s LEU 11 Ca 0.31 2.13 0.27 0.00 0.02 0.00 0.00 54.13 56.86 1i6t s LEU 11 Cb 0.08 -4.57 0.99 0.00 0.02 0.00 0.00 46.19 42.71 1i6t s LEU 11 CO -0.12 -1.64 1.71 -0.81 0.02 0.00 0.00 176.35 175.50 1i6t n PRO 12 N -2.15 1.70 0.10 1.29 -0.04 -1.26 -4.86 135.00 129.79 1i6t n PRO 12 Ca 0.11 -1.02 -0.04 0.00 -0.04 0.00 0.00 63.50 62.52 1i6t n PRO 12 Cb 0.51 -1.47 0.13 0.00 -0.04 0.00 0.00 33.50 32.63 1i6t n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1i6t h GLU 13 N 2.43 0.16 -3.40 0.54 4.39 -1.83 -3.41 114.58 113.46 1i6t h GLU 13 Ca 0.00 -0.11 -0.56 0.00 0.34 0.00 0.00 59.36 59.03 1i6t h GLU 13 Cb 0.52 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 28.79 1i6t h GLU 13 CO 0.00 0.73 -0.76 0.34 -1.16 0.00 0.00 179.01 178.15 1i6t s ASP 14 N -6.88 3.71 0.25 1.42 -1.08 -0.51 -4.33 116.67 109.24 1i6t s ASP 14 Ca -0.03 -1.40 0.08 0.00 -0.52 0.00 0.00 52.55 50.68 1i6t s ASP 14 Cb 0.12 -0.71 -0.05 0.00 -1.46 0.00 0.00 42.92 40.82 1i6t s ASP 14 CO 0.79 -0.40 -0.13 0.27 0.52 0.00 0.00 175.17 176.22 1i6t s ILE 15 N 1.76 1.87 -0.06 4.11 -4.36 -0.69 -1.81 121.20 122.02 1i6t s ILE 15 Ca 0.07 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 1i6t s ILE 15 Cb -0.17 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1i6t s ILE 15 CO -0.24 -0.45 -0.05 -0.31 0.24 0.00 0.00 174.94 174.13 1i6t s TYR 16 N -2.88 3.00 -0.16 1.37 2.02 -0.19 -0.67 117.35 119.84 1i6t s TYR 16 Ca 0.26 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 1i6t s TYR 16 Cb 0.00 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1i6t s TYR 16 CO 0.10 0.38 -0.19 0.08 -1.57 0.00 0.00 175.55 174.35 1i6t s VAL 17 N -0.86 2.23 -0.19 0.71 1.01 0.12 -4.39 120.40 119.03 1i6t s VAL 17 Ca 0.13 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 1i6t s VAL 17 Cb -0.11 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1i6t s VAL 17 CO 0.03 0.54 0.89 -0.69 0.00 0.00 0.00 175.10 175.86 1i6t s VAL 18 N 0.96 4.82 -0.04 2.92 1.01 0.15 -0.83 120.40 129.39 1i6t s VAL 18 Ca -0.03 1.74 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 1i6t s VAL 18 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1i6t s VAL 18 CO -0.04 -0.04 0.68 -0.63 0.00 0.00 0.00 175.10 175.07 1i6t s ILE 19 N 2.49 4.98 -0.17 2.22 -1.09 0.20 -0.93 121.20 128.90 1i6t s ILE 19 Ca 0.40 1.42 0.05 0.00 -2.23 0.00 0.00 60.65 60.29 1i6t s ILE 19 Cb -0.16 -4.02 -0.14 0.00 -1.58 0.00 0.00 42.46 36.56 1i6t s ILE 19 CO 0.11 0.30 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.40 1i6t n GLU 20 N 3.43 0.85 -4.17 2.79 1.02 0.61 0.01 120.64 125.18 1i6t n GLU 20 Ca -0.03 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 1i6t n GLU 20 Cb 0.51 -1.36 -0.17 0.00 -0.02 0.00 0.00 31.44 30.40 1i6t n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i6t s ILE 21 N -2.36 0.70 0.63 -3.67 1.01 -0.54 -4.53 121.20 112.45 1i6t s ILE 21 Ca -0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1i6t s ILE 21 Cb 0.06 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 1i6t s ILE 21 CO 0.47 0.28 1.07 -2.84 0.00 0.00 0.00 174.94 173.91 1i6t s PRO 22 N 1.10 3.09 0.47 2.79 0.02 -1.26 -0.70 135.00 140.51 1i6t s PRO 22 Ca -0.08 1.19 -0.24 0.00 0.02 0.00 0.00 61.00 61.89 1i6t s PRO 22 Cb -0.14 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.30 1i6t s PRO 22 CO -0.01 -0.99 1.32 0.00 -0.33 0.00 0.00 177.00 176.99 1i6t n ALA 23 N -2.39 1.50 -2.97 -1.55 0.00 -1.25 -3.65 120.51 110.20 1i6t n ALA 23 Ca 0.09 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.53 1i6t n ALA 23 Cb 0.53 -2.31 0.03 0.00 0.00 0.00 0.00 19.45 17.70 1i6t n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i6t n ASN 24 N -0.23 -5.89 -4.94 0.00 5.15 -0.72 -4.81 115.26 103.82 1i6t n ASN 24 Ca 0.07 -0.27 -0.19 0.00 -0.60 0.00 0.00 54.58 53.59 1i6t n ASN 24 Cb 0.42 -4.71 -0.01 0.00 -0.53 0.00 0.00 39.78 34.95 1i6t n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i6t s ALA 25 N -3.15 4.30 0.73 5.20 0.00 -1.24 -5.03 121.76 122.57 1i6t s ALA 25 Ca 0.29 -1.79 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 1i6t s ALA 25 Cb -0.13 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1i6t s ALA 25 CO 0.35 -0.29 1.07 -0.25 0.00 0.00 0.00 175.76 176.65 1i6t n ASP 26 N -1.72 0.87 -3.03 0.00 8.00 -1.26 -4.75 116.55 114.66 1i6t n ASP 26 Ca 0.06 0.68 -0.33 0.00 0.71 0.00 0.00 54.79 55.90 1i6t n ASP 26 Cb 0.61 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 1i6t n ASP 26 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1i6t n PRO 27 N -2.17 3.42 -3.69 -0.24 -0.04 -1.26 -4.82 135.00 126.20 1i6t n PRO 27 Ca 0.14 -2.10 -0.38 0.00 -0.04 0.00 0.00 63.50 61.11 1i6t n PRO 27 Cb 0.49 -2.59 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 1i6t n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i6t s ILE 28 N 1.39 4.36 -0.94 0.52 1.01 -1.26 -0.78 121.20 125.49 1i6t s ILE 28 Ca 0.67 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 1i6t s ILE 28 Cb 0.22 -3.25 0.11 0.00 0.01 0.00 0.00 42.46 39.54 1i6t s ILE 28 CO -0.06 0.04 1.20 -0.75 0.00 0.00 0.00 174.94 175.38 1i6t s LYS 29 N 1.56 3.58 0.41 2.79 2.36 -0.01 -4.96 119.74 125.48 1i6t s LYS 29 Ca 0.04 -1.57 -0.22 0.00 -2.55 0.00 0.00 55.97 51.66 1i6t s LYS 29 Cb -0.17 -5.01 -0.10 0.00 -1.05 0.00 0.00 37.83 31.50 1i6t s LYS 29 CO 0.05 -1.88 0.96 0.71 1.55 0.00 0.00 175.35 176.73 1i6t s TYR 30 N 3.31 3.37 -0.04 4.03 2.02 -1.26 -0.33 117.35 128.44 1i6t s TYR 30 Ca 0.36 1.65 -0.02 0.00 -0.37 0.00 0.00 57.07 58.68 1i6t s TYR 30 Cb -0.04 -2.89 0.02 0.00 -0.40 0.00 0.00 41.96 38.64 1i6t s TYR 30 CO -0.09 -0.12 0.09 -1.21 -1.57 0.00 0.00 175.55 172.65 1i6t s GLU 31 N -2.92 0.08 0.02 -0.62 2.02 0.26 -4.69 118.70 112.84 1i6t s GLU 31 Ca 0.60 0.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.45 1i6t s GLU 31 Cb -0.12 -0.03 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 1i6t s GLU 31 CO 0.16 -0.06 1.26 0.42 0.02 0.00 0.00 175.26 177.07 1i6t s ILE 32 N 0.38 3.96 -0.11 -1.63 -1.09 -1.26 -0.92 121.20 120.53 1i6t s ILE 32 Ca -0.03 1.36 -0.30 0.00 -2.23 0.00 0.00 60.65 59.46 1i6t s ILE 32 Cb -0.04 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1i6t s ILE 32 CO -0.01 0.05 1.26 -0.62 -1.23 0.00 0.00 174.94 174.38 1i6t s ASP 33 N 1.39 6.97 0.47 3.58 3.68 0.18 -4.93 116.67 128.00 1i6t s ASP 33 Ca 0.60 1.78 0.20 0.00 2.13 0.00 0.00 52.55 57.26 1i6t s ASP 33 Cb -0.29 -2.55 1.15 0.00 -1.45 0.00 0.00 42.92 39.78 1i6t s ASP 33 CO 0.26 -0.69 1.99 0.07 0.13 0.00 0.00 175.17 176.94 1i6t h LYS 34 N 7.92 0.00 -0.00 4.34 2.10 -1.94 0.25 116.57 129.23 1i6t h LYS 34 Ca -0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1i6t h LYS 34 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1i6t h LYS 34 CO 0.93 0.19 -0.01 0.93 -2.00 0.00 0.00 179.45 179.48 1i6t h GLU 35 N 0.00 0.02 0.00 0.07 4.39 -1.97 -3.36 114.58 113.72 1i6t h GLU 35 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1i6t h GLU 35 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1i6t h GLU 35 CO 0.02 0.69 -1.73 -1.13 -1.16 0.00 0.00 179.01 175.70 1i6t n SER 36 N -4.75 0.25 0.00 1.42 3.41 -1.18 -4.97 113.62 107.81 1i6t n SER 36 Ca -0.09 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1i6t n SER 36 Cb 0.34 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 1i6t n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6t n GLY 37 N 1.31 0.72 3.87 5.00 0.00 0.86 -5.02 105.19 111.93 1i6t n GLY 37 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1i6t n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6t s ALA 38 N -3.08 3.29 -0.41 4.61 0.00 -1.25 -4.74 121.76 120.17 1i6t s ALA 38 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 1i6t s ALA 38 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1i6t s ALA 38 CO 0.00 -0.11 0.95 -1.17 0.00 0.00 0.00 175.76 175.43 1i6t s LEU 39 N -4.01 3.96 0.05 0.00 2.96 -1.26 -0.65 118.68 119.73 1i6t s LEU 39 Ca 0.53 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 1i6t s LEU 39 Cb -0.10 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1i6t s LEU 39 CO 0.33 -0.96 0.14 -0.36 -1.32 0.00 0.00 176.35 174.19 1i6t s PHE 40 N 3.66 3.37 -0.40 5.38 0.40 -0.10 -4.92 117.98 125.37 1i6t s PHE 40 Ca 0.39 0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 56.62 1i6t s PHE 40 Cb -0.11 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.72 1i6t s PHE 40 CO 0.22 0.57 1.27 0.08 0.70 0.00 0.00 175.22 178.06 1i6t s VAL 41 N -1.39 4.10 0.00 -0.44 1.01 -1.26 -0.57 120.40 121.85 1i6t s VAL 41 Ca 0.30 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 63.24 1i6t s VAL 41 Cb -0.12 -4.35 -0.20 0.00 0.00 0.00 0.00 36.38 31.71 1i6t s VAL 41 CO 0.22 -0.76 1.17 -0.78 0.00 0.00 0.00 175.10 174.95 1i6t h ASP 42 N 9.69 0.40 -4.73 3.32 3.58 -1.00 -3.48 116.42 124.21 1i6t h ASP 42 Ca -0.25 -0.67 0.14 0.00 0.42 0.00 0.00 57.03 56.67 1i6t h ASP 42 Cb 1.08 -0.12 -0.14 0.00 1.72 0.00 0.00 39.33 41.87 1i6t h ASP 42 CO 1.09 1.00 0.53 0.00 -2.88 0.00 0.00 179.24 178.98 1i6t s ARG 43 N -3.57 0.81 -0.43 0.28 1.70 -1.21 -5.03 118.95 111.50 1i6t s ARG 43 Ca -0.14 -0.33 -0.21 0.00 -0.47 0.00 0.00 55.73 54.58 1i6t s ARG 43 Cb 0.03 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1i6t s ARG 43 CO 0.78 -0.36 0.64 -0.06 -1.08 0.00 0.00 175.30 175.22 1i6t s PHE 44 N -3.06 3.07 0.52 5.89 0.08 -1.26 -0.83 117.98 122.39 1i6t s PHE 44 Ca 0.07 -0.05 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 1i6t s PHE 44 Cb -0.01 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 39.05 1i6t s PHE 44 CO -0.07 -0.86 1.25 -1.64 -0.10 0.00 0.00 175.22 173.80 1i6t s MET 45 N 2.80 3.38 0.12 0.44 -1.94 0.04 -4.95 119.30 119.18 1i6t s MET 45 Ca 0.22 1.97 0.21 0.00 -1.71 0.00 0.00 55.69 56.38 1i6t s MET 45 Cb -0.14 -2.27 -0.10 0.00 2.01 0.00 0.00 34.83 34.33 1i6t s MET 45 CO 0.19 -0.92 0.86 -1.13 -0.01 0.00 0.00 175.02 174.01 1i6t n SER 46 N -0.89 0.68 -4.90 3.03 3.41 -1.26 -4.90 113.62 108.79 1i6t n SER 46 Ca 0.10 0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.69 1i6t n SER 46 Cb 0.47 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 65.08 1i6t n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1i6t s THR 47 N -3.26 4.88 -1.33 6.66 -4.23 -1.26 -4.97 115.64 112.12 1i6t s THR 47 Ca -0.03 0.33 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1i6t s THR 47 Cb 0.10 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.24 1i6t s THR 47 CO 0.82 -0.75 2.09 0.00 -0.54 0.00 0.00 174.62 176.24 1i6t n ALA 48 N -1.97 5.84 -2.28 3.99 0.00 -1.26 -4.90 120.51 119.93 1i6t n ALA 48 Ca 0.01 -4.17 -0.14 0.00 0.00 0.00 0.00 53.44 49.14 1i6t n ALA 48 Cb 0.55 -3.02 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 1i6t n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1i6t s MET 49 N 0.46 1.02 0.10 0.00 -1.94 -1.26 -5.17 119.30 112.52 1i6t s MET 49 Ca 0.45 -1.40 0.04 0.00 -1.71 0.00 0.00 55.69 53.07 1i6t s MET 49 Cb 0.13 -0.60 -0.04 0.00 2.01 0.00 0.00 34.83 36.33 1i6t s MET 49 CO -0.03 0.07 -0.10 -0.59 -0.01 0.00 0.00 175.02 174.36 1i6t s PHE 50 N -3.20 1.06 0.06 -0.03 -0.12 -1.26 -4.65 117.98 109.84 1i6t s PHE 50 Ca 0.15 -0.65 -0.31 0.00 -0.05 0.00 0.00 56.93 56.07 1i6t s PHE 50 Cb 0.02 -0.58 -0.06 0.00 -0.63 0.00 0.00 43.02 41.77 1i6t s PHE 50 CO 0.00 -0.00 1.30 0.71 -0.05 0.00 0.00 175.22 177.18 1i6t s TYR 51 N -2.44 3.26 0.06 3.49 1.51 -1.26 -4.86 117.35 117.12 1i6t s TYR 51 Ca 0.05 1.10 0.33 0.00 -1.01 0.00 0.00 57.07 57.54 1i6t s TYR 51 Cb -0.03 -3.55 1.46 0.00 -0.11 0.00 0.00 41.96 39.73 1i6t s TYR 51 CO -0.00 -1.85 1.98 -1.35 -1.11 0.00 0.00 175.55 173.22 1i6t h PRO 52 N 7.00 0.00 -4.78 -1.71 0.11 -1.94 -1.93 132.00 128.76 1i6t h PRO 52 Ca -0.41 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.42 1i6t h PRO 52 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 1i6t h PRO 52 CO 0.85 0.00 -0.66 0.00 -0.21 0.00 0.00 178.00 177.97 1i6t n ASN 54 N -0.23 1.51 -4.04 0.00 4.13 -1.01 -3.77 115.26 111.85 1i6t n ASN 54 Ca -0.07 0.84 -0.22 0.00 1.68 0.00 0.00 54.58 56.81 1i6t n ASN 54 Cb 0.63 -1.48 -0.16 0.00 -1.54 0.00 0.00 39.78 37.24 1i6t n ASN 54 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1i6t s TYR 55 N -1.43 1.21 0.00 3.10 5.04 0.12 -0.75 117.35 124.64 1i6t s TYR 55 Ca 0.78 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1i6t s TYR 55 Cb -0.41 -0.85 0.00 0.00 0.35 0.00 0.00 41.96 41.05 1i6t s TYR 55 CO 0.45 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.93 1i6t n GLY 56 N 3.34 2.29 3.47 8.97 0.00 0.10 -0.28 105.19 123.07 1i6t n GLY 56 Ca -0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1i6t n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i6t s TYR 57 N -0.37 0.27 -0.28 1.61 1.13 -0.11 -0.85 117.35 118.75 1i6t s TYR 57 Ca 0.00 -0.63 -0.12 0.00 -1.41 0.00 0.00 57.07 54.91 1i6t s TYR 57 Cb 0.00 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 1i6t s TYR 57 CO 0.00 -0.86 0.24 0.42 -2.51 0.00 0.00 175.55 172.84 1i6t s ILE 58 N -3.97 5.27 0.74 -3.49 1.01 -0.99 -0.67 121.20 119.11 1i6t s ILE 58 Ca 0.18 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 1i6t s ILE 58 Cb 0.01 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.94 1i6t s ILE 58 CO 0.03 0.21 1.17 0.21 0.00 0.00 0.00 174.94 176.55 1i6t s ASN 59 N 1.73 4.25 -1.44 3.58 2.47 -1.26 -3.33 114.94 120.93 1i6t s ASN 59 Ca 0.09 2.20 -0.03 0.00 0.42 0.00 0.00 52.86 55.55 1i6t s ASN 59 Cb -0.16 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1i6t s ASN 59 CO 0.11 -2.22 0.36 1.41 -3.72 0.00 0.00 177.10 173.04 1i6t n HIS 60 N -2.94 -1.45 -4.32 0.43 8.25 -1.26 -3.81 115.22 110.11 1i6t n HIS 60 Ca 0.12 0.31 -0.18 0.00 -0.26 0.00 0.00 57.72 57.71 1i6t n HIS 60 Cb 0.51 -3.95 -0.10 0.00 1.12 0.00 0.00 29.99 27.57 1i6t n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1i6t s THR 61 N -3.04 1.63 -0.16 1.59 -4.23 -1.21 -4.60 115.64 105.61 1i6t s THR 61 Ca 0.18 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1i6t s THR 61 Cb -0.08 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.86 1i6t s THR 61 CO 0.22 -0.59 0.12 -0.22 -0.54 0.00 0.00 174.62 173.61 1i6t s LEU 62 N -3.19 0.20 0.82 4.79 2.96 -0.54 -3.65 118.68 120.06 1i6t s LEU 62 Ca 0.20 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1i6t s LEU 62 Cb -0.01 -0.07 0.14 0.00 0.50 0.00 0.00 46.19 46.75 1i6t s LEU 62 CO 0.06 -0.33 1.14 -0.44 -1.32 0.00 0.00 176.35 175.46 1i6t s SER 63 N 2.19 3.98 0.49 3.68 0.01 0.37 -4.60 113.70 119.82 1i6t s SER 63 Ca 0.03 0.16 0.32 0.00 1.31 0.00 0.00 55.95 57.78 1i6t s SER 63 Cb -0.15 -0.48 1.40 0.00 0.21 0.00 0.00 66.02 67.00 1i6t s SER 63 CO -0.09 -2.15 1.96 -0.07 0.41 0.00 0.00 173.24 173.30 1i6t h LEU 64 N -1.02 0.00 0.00 2.44 3.38 -1.85 0.45 115.31 118.71 1i6t h LEU 64 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1i6t h LEU 64 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1i6t h LEU 64 CO 0.46 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.09 1i6t n ASP 65 N -2.86 0.00 0.00 -0.43 3.85 -1.26 -4.88 116.55 110.97 1i6t n ASP 65 Ca 0.00 -0.92 0.00 0.00 -0.71 0.00 0.00 54.79 53.16 1i6t n ASP 65 Cb 0.25 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1i6t n ASP 65 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i6t n GLY 66 N 0.80 0.78 3.60 6.12 0.00 0.15 -5.04 105.19 111.59 1i6t n GLY 66 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1i6t n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6t s ASP 67 N -2.98 4.00 0.82 1.61 1.01 -1.26 -4.85 116.67 115.02 1i6t s ASP 67 Ca 0.00 -1.09 -0.12 0.00 0.71 0.00 0.00 52.55 52.05 1i6t s ASP 67 Cb 0.00 -0.45 0.09 0.00 1.01 0.00 0.00 42.92 43.57 1i6t s ASP 67 CO 0.00 -0.24 1.17 -2.16 0.21 0.00 0.00 175.17 174.15 1i6t s PRO 68 N -3.68 1.66 0.39 8.23 0.04 -1.24 -0.48 135.00 139.93 1i6t s PRO 68 Ca 0.34 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 1i6t s PRO 68 Cb 0.01 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 1i6t s PRO 68 CO 0.18 -2.16 1.33 0.54 0.04 0.00 0.00 177.00 176.93 1i6t s VAL 69 N -2.39 2.55 0.02 -0.36 0.11 -1.26 -4.67 120.40 114.40 1i6t s VAL 69 Ca 0.69 0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 60.01 1i6t s VAL 69 Cb -0.25 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 1i6t s VAL 69 CO 0.52 0.09 0.74 -1.81 -3.33 0.00 0.00 175.10 171.30 1i6t s ASP 70 N -0.62 7.15 -0.01 3.54 1.01 -1.26 -2.35 116.67 124.12 1i6t s ASP 70 Ca 0.55 1.37 0.01 0.00 0.71 0.00 0.00 52.55 55.19 1i6t s ASP 70 Cb -0.40 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.10 1i6t s ASP 70 CO 0.51 0.00 -0.03 -0.69 0.21 0.00 0.00 175.17 175.18 1i6t s VAL 71 N 0.08 0.32 -0.18 -1.27 1.01 -0.03 -1.46 120.40 118.86 1i6t s VAL 71 Ca 0.38 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 1i6t s VAL 71 Cb -0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1i6t s VAL 71 CO 0.21 0.12 0.13 -0.76 0.00 0.00 0.00 175.10 174.80 1i6t s LEU 72 N 0.30 4.22 -0.25 3.92 1.43 0.58 -0.72 118.68 128.16 1i6t s LEU 72 Ca -0.03 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1i6t s LEU 72 Cb -0.06 -2.08 0.07 0.00 0.03 0.00 0.00 46.19 44.15 1i6t s LEU 72 CO -0.00 0.23 -0.01 -0.69 0.23 0.00 0.00 176.35 176.10 1i6t s VAL 73 N 0.06 1.39 0.27 -1.59 1.01 0.07 -1.26 120.40 120.36 1i6t s VAL 73 Ca 0.09 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1i6t s VAL 73 Cb -0.11 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1i6t s VAL 73 CO -0.01 -0.24 1.09 -2.16 0.00 0.00 0.00 175.10 173.78 1i6t s PRO 74 N 1.43 4.65 0.09 2.72 0.04 -1.26 -2.41 135.00 140.26 1i6t s PRO 74 Ca -0.01 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1i6t s PRO 74 Cb -0.18 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1i6t s PRO 74 CO -0.09 0.21 0.04 0.95 0.04 0.00 0.00 177.00 178.15 1i6t s THR 75 N -1.06 0.16 0.29 1.26 -4.23 -1.26 -4.34 115.64 106.45 1i6t s THR 75 Ca 0.45 -1.77 0.22 0.00 -1.18 0.00 0.00 61.69 59.40 1i6t s THR 75 Cb -0.31 -1.72 0.20 0.00 1.34 0.00 0.00 72.50 72.01 1i6t s THR 75 CO 0.40 -0.73 1.89 1.55 -0.54 0.00 0.00 174.62 177.18 1i6t h PRO 76 N 2.98 0.00 -3.61 3.99 0.13 -2.04 -3.43 132.00 130.01 1i6t h PRO 76 Ca -0.34 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.59 1i6t h PRO 76 Cb 1.17 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.04 1i6t h PRO 76 CO 0.62 0.25 -0.63 0.71 -0.23 0.00 0.00 178.00 178.72 1i6t s TYR 77 N -3.93 -0.02 0.52 1.56 2.02 -1.26 -5.14 117.35 111.10 1i6t s TYR 77 Ca -0.01 0.06 -0.23 0.00 -0.37 0.00 0.00 57.07 56.52 1i6t s TYR 77 Cb 0.12 -0.01 -0.06 0.00 -0.40 0.00 0.00 41.96 41.61 1i6t s TYR 77 CO 0.65 -0.09 1.38 -2.14 -1.57 0.00 0.00 175.55 173.78 1i6t s PRO 78 N -0.32 3.29 0.35 -1.71 0.02 -1.26 -5.00 135.00 130.37 1i6t s PRO 78 Ca -0.04 2.29 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 1i6t s PRO 78 Cb -0.03 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 1i6t s PRO 78 CO 0.00 -1.09 0.59 -0.51 -0.33 0.00 0.00 177.00 175.66 1i6t s LEU 79 N -3.30 3.96 0.09 -5.54 1.43 -1.26 -4.99 118.68 109.06 1i6t s LEU 79 Ca 0.69 0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.08 1i6t s LEU 79 Cb -0.41 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 1i6t s LEU 79 CO 0.50 -0.32 0.99 -1.58 0.23 0.00 0.00 176.35 176.17 1i6t s GLN 80 N -4.18 4.65 0.27 1.70 0.74 -1.26 -4.32 119.66 117.25 1i6t s GLN 80 Ca 0.42 1.48 -0.31 0.00 0.05 0.00 0.00 55.36 57.01 1i6t s GLN 80 Cb -0.10 -3.38 -0.12 0.00 1.10 0.00 0.00 33.01 30.50 1i6t s GLN 80 CO 0.36 0.12 1.54 -2.30 -0.55 0.00 0.00 175.29 174.46 1i6t n PRO 81 N 3.03 2.46 -0.08 1.67 -0.02 -1.26 -1.64 135.00 139.16 1i6t n PRO 81 Ca 0.03 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1i6t n PRO 81 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1i6t n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i6t n GLY 82 N 2.32 0.89 3.91 -1.23 0.00 0.10 -5.00 105.19 106.18 1i6t n GLY 82 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1i6t n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i6t s SER 83 N -2.73 5.22 -0.06 1.61 1.04 -0.66 -4.78 113.70 113.34 1i6t s SER 83 Ca 0.00 0.81 0.03 0.00 0.48 0.00 0.00 55.95 57.27 1i6t s SER 83 Cb 0.00 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 64.53 1i6t s SER 83 CO 0.00 -1.39 -0.15 -0.69 0.98 0.00 0.00 173.24 171.99 1i6t s VAL 84 N -3.25 1.35 -0.05 5.02 1.01 -1.26 -0.63 120.40 122.58 1i6t s VAL 84 Ca 0.58 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1i6t s VAL 84 Cb -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1i6t s VAL 84 CO 0.48 0.40 -0.17 0.28 0.00 0.00 0.00 175.10 176.09 1i6t s THR 85 N 0.40 1.41 0.07 3.92 -1.32 -0.01 -4.94 115.64 115.18 1i6t s THR 85 Ca -0.12 -0.69 -0.31 0.00 -1.21 0.00 0.00 61.69 59.37 1i6t s THR 85 Cb -0.15 -1.23 -0.06 0.00 -1.51 0.00 0.00 72.50 69.56 1i6t s THR 85 CO 0.04 0.41 1.20 -0.60 -2.21 0.00 0.00 174.62 173.46 1i6t s ARG 86 N 0.21 4.44 0.31 7.08 3.52 -1.26 -0.70 118.95 132.54 1i6t s ARG 86 Ca -0.08 1.78 -0.05 0.00 -0.13 0.00 0.00 55.73 57.26 1i6t s ARG 86 Cb -0.13 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1i6t s ARG 86 CO 0.03 -0.25 0.45 0.00 -0.81 0.00 0.00 175.30 174.72 1i6t s ARG 88 N -3.36 1.09 0.36 0.00 3.52 0.29 -1.70 118.95 119.14 1i6t s ARG 88 Ca 0.29 -0.13 -0.27 0.00 -0.13 0.00 0.00 55.73 55.49 1i6t s ARG 88 Cb 0.00 -1.18 -0.09 0.00 -1.56 0.00 0.00 34.95 32.12 1i6t s ARG 88 CO 0.17 -0.18 1.17 -1.25 -0.81 0.00 0.00 175.30 174.39 1i6t s PRO 89 N 1.42 4.27 0.00 5.12 0.04 -1.26 -0.88 135.00 143.70 1i6t s PRO 89 Ca -0.02 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1i6t s PRO 89 Cb -0.13 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1i6t s PRO 89 CO -0.03 -0.14 0.01 1.33 0.04 0.00 0.00 177.00 178.20 1i6t n VAL 90 N 0.49 0.00 0.00 -0.36 0.24 -0.07 -4.88 118.33 113.75 1i6t n VAL 90 Ca 0.02 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1i6t n VAL 90 Cb 0.45 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1i6t n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i6t n GLY 91 N 0.42 -0.47 3.28 7.63 0.00 -1.16 -1.70 105.19 113.19 1i6t n GLY 91 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1i6t n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6t s VAL 92 N -2.00 -0.01 -0.35 1.61 0.11 -0.50 -0.99 120.40 118.26 1i6t s VAL 92 Ca 0.00 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 1i6t s VAL 92 Cb 0.00 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1i6t s VAL 92 CO 0.00 0.01 0.32 -0.22 -3.33 0.00 0.00 175.10 171.88 1i6t s LEU 93 N 0.51 4.57 0.20 2.54 2.96 0.21 -0.39 118.68 129.29 1i6t s LEU 93 Ca -0.02 -0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 53.21 1i6t s LEU 93 Cb -0.04 -2.26 -0.08 0.00 0.50 0.00 0.00 46.19 44.31 1i6t s LEU 93 CO -0.03 -0.33 0.86 -0.54 -1.32 0.00 0.00 176.35 174.99 1i6t s LYS 94 N 1.89 4.71 0.04 1.98 -0.14 0.35 -1.03 119.74 127.54 1i6t s LYS 94 Ca 0.09 1.32 -0.27 0.00 -1.36 0.00 0.00 55.97 55.76 1i6t s LYS 94 Cb -0.17 -3.28 0.09 0.00 -1.68 0.00 0.00 37.83 32.79 1i6t s LYS 94 CO 0.11 0.53 0.75 0.00 -0.76 0.00 0.00 175.35 175.98 1i6t s MET 95 N -1.11 1.02 -0.06 1.68 0.23 -1.26 0.04 119.30 119.85 1i6t s MET 95 Ca 0.39 -0.22 0.03 0.00 -1.03 0.00 0.00 55.69 54.86 1i6t s MET 95 Cb -0.24 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 1i6t s MET 95 CO 0.29 -0.42 -0.14 0.99 -2.03 0.00 0.00 175.02 173.72 1i6t s THR 96 N -2.82 3.09 0.00 3.16 2.01 -0.04 -0.54 115.64 120.51 1i6t s THR 96 Ca -0.00 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1i6t s THR 96 Cb -0.01 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1i6t s THR 96 CO -0.06 0.59 0.00 -0.90 -0.69 0.00 0.00 174.62 173.55 1i6t n ASP 97 N 2.42 1.76 0.21 3.53 5.68 0.68 0.02 116.55 130.85 1i6t n ASP 97 Ca -0.17 -0.24 0.15 0.00 -0.50 0.00 0.00 54.79 54.02 1i6t n ASP 97 Cb 0.52 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.21 1i6t n ASP 97 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1i6t h GLU 98 N 0.00 0.00 -0.01 0.11 9.09 -1.78 0.27 114.58 122.26 1i6t h GLU 98 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i6t h GLU 98 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1i6t h GLU 98 CO 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 179.01 178.86 1i6t n ALA 99 N -1.88 2.86 0.00 1.06 0.00 -1.26 -5.04 120.51 116.25 1i6t n ALA 99 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1i6t n ALA 99 Cb 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1i6t n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6t n GLY 100 N 0.95 0.61 3.72 0.00 0.00 0.08 -4.88 105.19 105.67 1i6t n GLY 100 Ca 0.06 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1i6t n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i6t s GLU 101 N -0.80 4.34 -0.47 1.61 2.56 -1.26 -0.23 118.70 124.44 1i6t s GLU 101 Ca 0.00 2.08 0.07 0.00 0.00 0.00 0.00 54.97 57.12 1i6t s GLU 101 Cb 0.00 -3.22 0.18 0.00 2.00 0.00 0.00 34.13 33.09 1i6t s GLU 101 CO 0.00 -0.38 0.64 0.34 -0.56 0.00 0.00 175.26 175.30 1i6t s ASP 102 N 0.82 -0.93 0.71 -1.70 2.15 0.30 -4.48 116.67 113.54 1i6t s ASP 102 Ca 0.62 -1.70 -0.15 0.00 0.43 0.00 0.00 52.55 51.76 1i6t s ASP 102 Cb -0.37 1.53 0.03 0.00 -0.30 0.00 0.00 42.92 43.81 1i6t s ASP 102 CO 0.33 -0.10 1.15 0.00 -0.17 0.00 0.00 175.17 176.38 1i6t s ALA 103 N 1.01 2.26 -0.30 3.66 0.00 -1.26 -4.49 121.76 122.64 1i6t s ALA 103 Ca 0.27 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1i6t s ALA 103 Cb -0.02 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.80 1i6t s ALA 103 CO -0.07 -1.63 -0.01 0.15 0.00 0.00 0.00 175.76 174.20 1i6t s LYS 104 N -4.08 1.70 0.58 0.00 -0.14 -0.19 -4.32 119.74 113.29 1i6t s LYS 104 Ca 0.70 -1.55 -0.17 0.00 -1.36 0.00 0.00 55.97 53.59 1i6t s LYS 104 Cb -0.24 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 1i6t s LYS 104 CO 0.44 -0.78 1.07 -0.51 -0.76 0.00 0.00 175.35 174.81 1i6t s LEU 105 N 1.07 3.55 -0.14 3.17 1.02 -0.54 -0.62 118.68 126.20 1i6t s LEU 105 Ca 0.02 1.89 0.02 0.00 0.02 0.00 0.00 54.13 56.08 1i6t s LEU 105 Cb -0.19 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.48 1i6t s LEU 105 CO -0.08 -1.18 -0.20 -0.69 0.02 0.00 0.00 176.35 174.22 1i6t s VAL 106 N -2.31 2.25 -0.03 -1.59 1.01 -0.16 -0.30 120.40 119.26 1i6t s VAL 106 Ca 0.65 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1i6t s VAL 106 Cb -0.17 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1i6t s VAL 106 CO 0.34 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.91 1i6t s ALA 107 N 0.73 0.76 0.16 5.51 0.00 -0.39 -0.89 121.76 127.63 1i6t s ALA 107 Ca -0.09 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1i6t s ALA 107 Cb -0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1i6t s ALA 107 CO 0.00 0.11 0.23 0.14 0.00 0.00 0.00 175.76 176.24 1i6t s VAL 108 N 0.28 5.00 0.24 0.00 -7.23 -0.06 -4.01 120.40 114.63 1i6t s VAL 108 Ca -0.04 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 1i6t s VAL 108 Cb -0.09 -3.57 -0.14 0.00 0.56 0.00 0.00 36.38 33.14 1i6t s VAL 108 CO 0.00 -0.10 1.20 -2.65 -0.31 0.00 0.00 175.10 173.24 1i6t n PRO 109 N -0.48 1.57 -1.84 4.82 -0.02 -1.26 -0.55 135.00 137.23 1i6t n PRO 109 Ca -0.07 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.58 1i6t n PRO 109 Cb 0.54 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1i6t n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1i6t s HIS 110 N -0.50 2.27 0.56 6.00 2.46 -0.58 -4.71 115.29 120.80 1i6t s HIS 110 Ca 0.66 1.44 0.30 0.00 0.47 0.00 0.00 55.06 57.93 1i6t s HIS 110 Cb -0.72 -3.69 1.46 0.00 -0.13 0.00 0.00 32.58 29.50 1i6t s HIS 110 CO 0.55 -2.71 1.88 1.03 -2.47 0.00 0.00 174.74 173.02 1i6t h SER 111 N 1.11 0.00 1.26 9.88 0.87 -1.91 0.96 113.55 125.72 1i6t h SER 111 Ca -0.51 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1i6t h SER 111 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1i6t h SER 111 CO 0.56 0.00 -0.10 0.11 -0.53 0.00 0.00 176.83 176.86 1i6t h LYS 112 N 0.00 0.00 0.05 2.24 1.79 -1.97 -3.08 116.57 115.59 1i6t h LYS 112 Ca 0.33 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.48 1i6t h LYS 112 Cb 1.49 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.10 1i6t h LYS 112 CO -0.00 0.10 -1.79 -0.07 -1.08 0.00 0.00 179.45 176.61 1i6t h LEU 113 N 0.00 0.16 -7.00 2.94 4.07 -1.16 -3.49 115.31 110.83 1i6t h LEU 113 Ca -0.00 -0.35 0.05 0.00 0.08 0.00 0.00 57.88 57.66 1i6t h LEU 113 Cb 0.76 -0.05 -0.22 0.00 1.08 0.00 0.00 40.66 42.23 1i6t h LEU 113 CO 0.01 1.31 0.46 -0.55 -1.08 0.00 0.00 178.44 178.60 1i6t s SER 114 N -6.46 -0.44 0.00 -0.43 0.15 -0.99 -5.02 113.70 100.52 1i6t s SER 114 Ca -0.11 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.33 1i6t s SER 114 Cb 0.07 0.42 0.82 0.00 -1.71 0.00 0.00 66.02 65.62 1i6t s SER 114 CO 0.81 -0.37 1.62 0.29 1.20 0.00 0.00 173.24 176.78 1i6t n LYS 115 N 0.93 0.39 -0.19 5.44 5.02 -1.26 -3.91 118.16 124.58 1i6t n LYS 115 Ca -0.12 -0.19 0.02 0.00 -2.02 0.00 0.00 58.31 56.00 1i6t n LYS 115 Cb 0.57 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.37 1i6t n LYS 115 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1i6t h GLU 116 N 0.47 0.91 -0.27 1.97 4.81 -1.94 -2.61 114.58 117.91 1i6t h GLU 116 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1i6t h GLU 116 Cb 0.47 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1i6t h GLU 116 CO 0.00 0.60 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 1i6t n TYR 117 N -4.44 0.35 -0.05 0.92 4.02 -1.26 -4.54 117.16 112.16 1i6t n TYR 117 Ca 0.08 -0.21 0.08 0.00 -0.01 0.00 0.00 57.90 57.84 1i6t n TYR 117 Cb 0.07 -0.00 0.46 0.00 -0.02 0.00 0.00 39.34 39.84 1i6t n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i6t h ASP 118 N 3.69 0.43 0.68 7.72 3.32 -1.73 0.41 116.42 130.94 1i6t h ASP 118 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i6t h ASP 118 Cb 0.85 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1i6t h ASP 118 CO 0.00 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 1i6t n HIS 119 N -4.47 0.51 -2.89 4.55 1.44 -1.26 -4.38 115.22 108.72 1i6t n HIS 119 Ca 0.07 0.20 -0.43 0.00 -2.01 0.00 0.00 57.72 55.54 1i6t n HIS 119 Cb 0.21 -0.82 -0.04 0.00 0.12 0.00 0.00 29.99 29.46 1i6t n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1i6t s ILE 120 N -3.19 4.41 -0.10 0.61 1.01 0.13 -4.79 121.20 119.27 1i6t s ILE 120 Ca 0.06 -0.26 0.17 0.00 0.00 0.00 0.00 60.65 60.61 1i6t s ILE 120 Cb 0.10 -4.61 -0.24 0.00 0.01 0.00 0.00 42.46 37.71 1i6t s ILE 120 CO 0.36 -1.31 0.21 0.29 0.00 0.00 0.00 174.94 174.49 1i6t n LYS 121 N 7.46 0.93 -3.97 2.79 4.76 -1.26 -4.98 118.16 123.90 1i6t n LYS 121 Ca -0.03 -0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.22 1i6t n LYS 121 Cb 0.46 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 32.19 1i6t n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1i6t s ASP 122 N -4.65 0.31 0.38 4.39 -1.08 -1.26 -4.84 116.67 109.91 1i6t s ASP 122 Ca -0.08 -1.18 0.10 0.00 -0.52 0.00 0.00 52.55 50.87 1i6t s ASP 122 Cb 0.08 0.71 0.74 0.00 -1.46 0.00 0.00 42.92 42.99 1i6t s ASP 122 CO 0.72 -1.38 1.88 1.62 0.52 0.00 0.00 175.17 178.53 1i6t h VAL 123 N 2.10 1.20 0.00 1.11 3.04 -1.64 0.43 116.25 122.50 1i6t h VAL 123 Ca -0.28 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 1i6t h VAL 123 Cb 1.25 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1i6t h VAL 123 CO 0.37 0.28 0.00 0.78 -1.01 0.00 0.00 177.57 177.99 1i6t h ASN 124 N 0.20 0.00 0.80 3.17 2.35 -1.95 -2.46 115.58 117.68 1i6t h ASN 124 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1i6t h ASN 124 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1i6t h ASN 124 CO 0.03 0.00 -0.49 0.47 -1.65 0.00 0.00 177.43 175.79 1i6t n ASP 125 N -2.61 0.57 -4.77 5.81 8.00 0.14 -4.85 116.55 118.85 1i6t n ASP 125 Ca -0.00 0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1i6t n ASP 125 Cb 0.17 0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1i6t n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i6t s LEU 126 N -3.73 4.22 0.33 0.64 1.43 -0.93 -4.87 118.68 115.77 1i6t s LEU 126 Ca 0.09 2.71 -0.29 0.00 -1.03 0.00 0.00 54.13 55.61 1i6t s LEU 126 Cb 0.15 -3.88 -0.12 0.00 0.03 0.00 0.00 46.19 42.37 1i6t s LEU 126 CO 0.69 -0.87 1.33 -2.65 0.23 0.00 0.00 176.35 175.07 1i6t n PRO 127 N 0.15 2.16 -0.25 1.29 -0.02 -1.26 -4.89 135.00 132.18 1i6t n PRO 127 Ca 0.03 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1i6t n PRO 127 Cb 0.43 -2.37 0.15 0.00 -0.02 0.00 0.00 33.50 31.69 1i6t n PRO 127 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1i6t h GLU 128 N 2.90 1.07 -0.31 -0.52 4.81 -1.92 -2.22 114.58 118.40 1i6t h GLU 128 Ca -0.46 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1i6t h GLU 128 Cb 1.28 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1i6t h GLU 128 CO 0.65 0.82 0.17 1.25 -0.73 0.00 0.00 179.01 181.18 1i6t h LEU 129 N 1.07 0.38 -0.51 1.64 5.85 -1.99 -1.32 115.31 120.44 1i6t h LEU 129 Ca 0.26 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1i6t h LEU 129 Cb 0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1i6t h LEU 129 CO -0.03 0.35 0.28 0.25 -0.34 0.00 0.00 178.44 178.94 1i6t h LEU 130 N 0.38 0.43 -0.79 2.25 5.85 -1.88 0.91 115.31 122.47 1i6t h LEU 130 Ca 0.11 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1i6t h LEU 130 Cb 0.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1i6t h LEU 130 CO -0.02 0.30 0.37 0.11 -0.34 0.00 0.00 178.44 178.87 1i6t h LYS 131 N 0.56 1.14 -0.40 1.25 1.57 -1.14 -0.43 116.57 119.12 1i6t h LYS 131 Ca 0.21 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1i6t h LYS 131 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1i6t h LYS 131 CO -0.12 0.89 -0.21 0.00 -0.57 0.00 0.00 179.45 179.43 1i6t h ALA 132 N 1.19 0.88 -0.61 3.86 0.00 -0.75 -1.40 119.26 122.44 1i6t h ALA 132 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1i6t h ALA 132 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1i6t h ALA 132 CO -0.03 0.63 0.16 1.96 0.00 0.00 0.00 179.25 181.97 1i6t h GLN 133 N 0.68 0.96 -0.16 0.00 4.20 -0.37 -0.82 115.11 119.60 1i6t h GLN 133 Ca 0.10 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1i6t h GLN 133 Cb 0.72 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1i6t h GLN 133 CO 0.06 0.87 0.08 0.82 -0.67 0.00 0.00 178.83 179.99 1i6t h ILE 134 N 0.87 1.12 -0.74 2.54 2.04 -0.91 -0.20 117.51 122.24 1i6t h ILE 134 Ca 0.19 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1i6t h ILE 134 Cb 0.33 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1i6t h ILE 134 CO -0.00 0.11 0.49 0.00 0.00 0.00 0.00 178.15 178.76 1i6t h ALA 135 N 0.95 0.94 -0.54 1.87 0.00 -1.12 -1.70 119.26 119.67 1i6t h ALA 135 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1i6t h ALA 135 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1i6t h ALA 135 CO -0.01 0.36 -0.10 1.25 0.00 0.00 0.00 179.25 180.75 1i6t h HIS 136 N 1.00 1.14 0.35 0.00 -0.00 -1.02 -0.98 115.15 115.64 1i6t h HIS 136 Ca 0.27 -0.23 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1i6t h HIS 136 Cb -0.11 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 26.99 1i6t h HIS 136 CO -0.02 1.05 -0.33 0.35 -0.00 0.00 0.00 177.93 178.98 1i6t h PHE 137 N 0.90 -0.90 0.00 5.26 3.57 -0.67 -1.82 116.94 123.28 1i6t h PHE 137 Ca 0.14 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1i6t h PHE 137 Cb 0.67 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1i6t h PHE 137 CO 0.05 -0.47 -0.29 0.74 -2.23 0.00 0.00 178.31 176.11 1i6t h PHE 138 N -0.70 0.00 -0.03 0.41 0.04 -1.14 0.61 116.94 116.13 1i6t h PHE 138 Ca -0.02 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 1i6t h PHE 138 Cb 0.63 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1i6t h PHE 138 CO -0.19 0.29 -0.34 0.93 -0.60 0.00 0.00 178.31 178.40 1i6t h GLU 139 N 0.00 0.05 0.00 1.51 5.08 -0.83 -3.37 114.58 117.02 1i6t h GLU 139 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1i6t h GLU 139 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1i6t h GLU 139 CO 0.04 0.38 -0.44 0.72 -1.00 0.00 0.00 179.01 178.70 1i6t n HIS 140 N -4.13 0.00 0.29 4.33 8.25 -0.72 -4.76 115.22 118.48 1i6t n HIS 140 Ca -0.02 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.61 1i6t n HIS 140 Cb 0.39 -0.01 0.83 0.00 1.12 0.00 0.00 29.99 32.32 1i6t n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1i6t h TYR 141 N 0.00 0.00 -0.50 4.41 -0.00 -1.06 -0.86 116.97 118.96 1i6t h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1i6t h TYR 141 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.75 1i6t h TYR 141 CO 0.00 0.06 0.00 1.63 -0.00 0.00 0.00 178.16 179.85 1i6t n LYS 142 N -3.31 2.34 0.31 0.10 5.02 -1.26 -4.35 118.16 117.01 1i6t n LYS 142 Ca -0.01 -2.07 0.18 0.00 -2.02 0.00 0.00 58.31 54.39 1i6t n LYS 142 Cb 0.23 -1.47 1.01 0.00 -0.02 0.00 0.00 35.03 34.77 1i6t n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1i6t h ASP 143 N 3.60 0.00 -0.36 4.39 3.32 -1.45 -2.40 116.42 123.52 1i6t h ASP 143 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i6t h ASP 143 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1i6t h ASP 143 CO 0.00 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1i6t n LEU 144 N -3.52 3.30 -4.11 1.55 4.77 -1.26 -4.90 117.00 112.84 1i6t n LEU 144 Ca -0.03 -2.26 -0.33 0.00 -0.03 0.00 0.00 56.01 53.37 1i6t n LEU 144 Cb 0.10 -0.33 -0.16 0.00 -2.33 0.00 0.00 43.42 40.70 1i6t n LEU 144 CO 0.25 0.73 -0.50 -1.61 -1.33 0.00 0.00 177.39 174.94 1i6t s GLU 145 N -1.46 2.71 0.13 3.23 2.02 -0.90 -4.95 118.70 119.47 1i6t s GLU 145 Ca 0.30 -1.03 -0.16 0.00 0.02 0.00 0.00 54.97 54.11 1i6t s GLU 145 Cb 0.19 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 1i6t s GLU 145 CO 0.15 -0.35 1.66 1.57 0.02 0.00 0.00 175.26 178.31 1i6t h LYS 146 N 7.88 0.63 0.00 1.61 2.10 -1.90 -2.59 116.57 124.29 1i6t h LYS 146 Ca -0.35 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1i6t h LYS 146 Cb 1.10 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1i6t h LYS 146 CO 0.57 0.61 -0.12 0.41 -2.00 0.00 0.00 179.45 178.92 1i6t n GLY 147 N -0.68 -1.54 3.77 0.07 0.00 -1.26 -4.83 105.19 100.71 1i6t n GLY 147 Ca -0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1i6t n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6t s LYS 148 N -3.06 4.26 0.17 1.61 1.02 -0.98 -4.74 119.74 118.02 1i6t s LYS 148 Ca 0.12 0.64 -0.24 0.00 0.02 0.00 0.00 55.97 56.50 1i6t s LYS 148 Cb 0.16 -3.34 0.06 0.00 -0.52 0.00 0.00 37.83 34.19 1i6t s LYS 148 CO 0.59 0.39 0.84 1.67 -0.92 0.00 0.00 175.35 177.93 1i6t s TRP 149 N -0.22 -0.23 -0.04 3.18 1.48 -1.26 -4.75 118.94 117.09 1i6t s TRP 149 Ca 0.29 -0.09 -0.03 0.00 -1.06 0.00 0.00 56.10 55.21 1i6t s TRP 149 Cb -0.17 0.63 0.02 0.00 -1.16 0.00 0.00 33.47 32.79 1i6t s TRP 149 CO 0.15 -0.90 0.11 0.08 -4.06 0.00 0.00 176.95 172.33 1i6t s VAL 150 N -3.49 -0.02 -0.33 -0.66 1.01 -1.26 -2.53 120.40 113.12 1i6t s VAL 150 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1i6t s VAL 150 Cb -0.03 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.26 1i6t s VAL 150 CO 0.00 0.02 0.06 -0.75 0.00 0.00 0.00 175.10 174.44 1i6t s LYS 151 N 0.39 2.29 -0.03 2.72 2.47 0.10 -4.90 119.74 122.78 1i6t s LYS 151 Ca -0.03 -1.43 -0.27 0.00 -1.56 0.00 0.00 55.97 52.68 1i6t s LYS 151 Cb -0.04 -3.31 -0.03 0.00 -1.46 0.00 0.00 37.83 32.99 1i6t s LYS 151 CO -0.02 -0.76 0.84 0.08 0.16 0.00 0.00 175.35 175.66 1i6t s VAL 152 N 1.22 4.95 -0.03 4.02 1.01 -1.26 -0.86 120.40 129.45 1i6t s VAL 152 Ca -0.01 1.75 0.15 0.00 0.00 0.00 0.00 61.98 63.87 1i6t s VAL 152 Cb -0.20 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 1i6t s VAL 152 CO -0.02 0.21 0.31 -0.62 0.00 0.00 0.00 175.10 174.98 1i6t n GLU 153 N 3.81 0.54 0.00 2.72 1.02 0.11 -4.95 120.64 123.89 1i6t n GLU 153 Ca 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1i6t n GLU 153 Cb 0.51 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1i6t n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i6t n GLY 154 N 1.68 3.71 3.75 0.62 0.00 -0.96 -4.90 105.19 109.09 1i6t n GLY 154 Ca -0.04 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 1i6t n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i6t s TRP 155 N -2.46 3.91 0.24 1.61 0.52 -1.26 -0.49 118.94 121.01 1i6t s TRP 155 Ca 0.00 1.82 0.04 0.00 0.02 0.00 0.00 56.10 57.98 1i6t s TRP 155 Cb 0.00 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 1i6t s TRP 155 CO 0.00 0.37 -0.01 -1.21 0.02 0.00 0.00 176.95 176.13 1i6t s GLU 156 N -0.74 1.38 0.70 4.98 2.02 0.48 -4.96 118.70 122.57 1i6t s GLU 156 Ca 0.42 -1.70 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 1i6t s GLU 156 Cb -0.25 -0.70 0.16 0.00 0.10 0.00 0.00 34.13 33.45 1i6t s GLU 156 CO 0.30 -0.08 0.96 0.27 0.02 0.00 0.00 175.26 176.73 1i6t n ASN 157 N -0.45 0.15 -0.05 -0.19 0.23 -1.26 -1.41 115.26 112.27 1i6t n ASN 157 Ca -0.05 -1.39 -0.02 0.00 -0.53 0.00 0.00 54.58 52.59 1i6t n ASN 157 Cb 0.64 -0.72 0.24 0.00 -2.08 0.00 0.00 39.78 37.85 1i6t n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6t h ALA 158 N -1.74 1.26 -0.76 -2.53 0.00 -1.87 -0.51 119.26 113.11 1i6t h ALA 158 Ca -0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1i6t h ALA 158 Cb 0.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1i6t h ALA 158 CO 0.23 0.50 0.32 0.93 0.00 0.00 0.00 179.25 181.22 1i6t h GLU 159 N 0.62 1.12 -0.74 0.00 4.39 -1.93 -0.44 114.58 117.59 1i6t h GLU 159 Ca 0.13 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1i6t h GLU 159 Cb 0.37 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1i6t h GLU 159 CO 0.01 0.91 0.36 0.00 -1.16 0.00 0.00 179.01 179.12 1i6t h ALA 160 N 1.16 0.96 -0.65 3.43 0.00 -1.72 -0.97 119.26 121.46 1i6t h ALA 160 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i6t h ALA 160 Cb 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1i6t h ALA 160 CO -0.02 0.52 0.42 0.00 0.00 0.00 0.00 179.25 180.17 1i6t h ALA 161 N 1.18 0.82 -0.56 0.00 0.00 -0.51 -1.96 119.26 118.24 1i6t h ALA 161 Ca 0.26 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1i6t h ALA 161 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1i6t h ALA 161 CO -0.03 0.26 -0.04 0.87 0.00 0.00 0.00 179.25 180.31 1i6t h LYS 162 N 0.88 1.00 -0.94 0.00 1.57 -0.87 -1.31 116.57 116.90 1i6t h LYS 162 Ca 0.24 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1i6t h LYS 162 Cb -0.08 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 1i6t h LYS 162 CO -0.05 1.00 0.62 0.00 -0.57 0.00 0.00 179.45 180.46 1i6t h ALA 163 N 1.04 1.19 -0.61 3.86 0.00 -0.95 -0.87 119.26 122.92 1i6t h ALA 163 Ca 0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1i6t h ALA 163 Cb 0.58 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i6t h ALA 163 CO 0.04 0.59 0.02 1.49 0.00 0.00 0.00 179.25 181.39 1i6t h GLU 164 N 1.28 1.05 -0.20 0.00 4.57 -0.73 0.56 114.58 121.10 1i6t h GLU 164 Ca 0.34 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1i6t h GLU 164 Cb -0.15 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 1i6t h GLU 164 CO -0.07 1.01 0.08 0.82 -1.18 0.00 0.00 179.01 179.66 1i6t h ILE 165 N 0.96 0.96 -0.43 2.32 2.04 -0.71 0.03 117.51 122.69 1i6t h ILE 165 Ca 0.18 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1i6t h ILE 165 Cb 0.52 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1i6t h ILE 165 CO 0.03 0.03 0.11 0.58 0.00 0.00 0.00 178.15 178.90 1i6t h VAL 166 N 0.18 1.23 -0.92 1.67 2.07 -0.89 0.11 116.25 119.69 1i6t h VAL 166 Ca 0.08 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1i6t h VAL 166 Cb 0.04 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1i6t h VAL 166 CO -0.08 0.28 0.54 0.00 0.02 0.00 0.00 177.57 178.34 1i6t h ALA 167 N 0.97 1.18 0.00 1.67 0.00 -0.71 0.16 119.26 122.53 1i6t h ALA 167 Ca 0.14 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1i6t h ALA 167 Cb 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1i6t h ALA 167 CO 0.00 0.65 -0.57 0.77 0.00 0.00 0.00 179.25 180.10 1i6t h SER 168 N 1.28 0.00 -0.13 0.00 0.02 -0.62 -0.75 113.55 113.35 1i6t h SER 168 Ca 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1i6t h SER 168 Cb -0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1i6t h SER 168 CO -0.06 0.36 0.06 0.15 -1.14 0.00 0.00 176.83 176.19 1i6t h PHE 169 N 0.00 0.19 -0.37 3.45 3.57 -0.47 -1.29 116.94 122.02 1i6t h PHE 169 Ca -0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1i6t h PHE 169 Cb 1.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1i6t h PHE 169 CO 0.00 0.25 0.03 0.93 -2.23 0.00 0.00 178.31 177.30 1i6t h GLU 170 N 0.07 0.57 -0.56 1.11 4.39 -0.92 -1.81 114.58 117.42 1i6t h GLU 170 Ca 0.04 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1i6t h GLU 170 Cb 0.14 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1i6t h GLU 170 CO -0.00 0.57 0.09 -0.09 -1.16 0.00 0.00 179.01 178.41 1i6t h ARG 171 N 0.55 0.89 -0.01 2.33 2.43 -0.87 -2.68 114.38 117.01 1i6t h ARG 171 Ca 0.12 -0.21 -0.22 0.00 -0.81 0.00 0.00 59.98 58.86 1i6t h ARG 171 Cb 0.30 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1i6t h ARG 171 CO 0.01 0.83 -0.91 0.00 -1.51 0.00 0.00 179.97 178.38 1i6t h ALA 172 N 1.25 0.39 -0.86 2.80 0.00 -0.79 0.19 119.26 122.24 1i6t h ALA 172 Ca 0.18 -0.69 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1i6t h ALA 172 Cb 0.37 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1i6t h ALA 172 CO 0.01 0.80 0.47 -0.22 0.00 0.00 0.00 179.25 180.32 1i6t h LYS 173 N 0.25 0.70 -0.30 0.00 3.64 -1.10 -1.43 116.57 118.33 1i6t h LYS 173 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1i6t h LYS 173 Cb 1.54 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1i6t h LYS 173 CO 0.16 0.46 0.00 0.27 -2.27 0.00 0.00 179.45 178.07 1i6t n ASN 174 N -4.80 3.67 0.00 4.20 6.94 -1.03 -5.11 115.26 119.12 1i6t n ASN 174 Ca 0.16 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 1i6t n ASN 174 Cb 0.38 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1i6t n ASN 174 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52