#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n ILE 4 N 0.00 0.00 -3.63 3.15 -6.64 -1.26 -5.15 119.36 105.83 1vs7 n ILE 4 Ca 0.00 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.85 1vs7 n ILE 4 Cb 0.00 -0.04 -0.12 0.00 -1.44 0.00 0.00 39.64 38.04 1vs7 n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1vs7 s ARG 5 N 2.36 0.19 -1.22 6.28 1.81 -1.26 -5.07 118.95 122.04 1vs7 s ARG 5 Ca 0.00 0.73 -0.12 0.00 -1.72 0.00 0.00 55.73 54.62 1vs7 s ARG 5 Cb 0.00 -0.12 0.18 0.00 -0.45 0.00 0.00 34.95 34.56 1vs7 s ARG 5 CO 0.00 -0.34 1.51 2.41 -0.68 0.00 0.00 175.30 178.20 1vs7 n THR 6 N 5.36 4.34 -3.49 0.02 -1.04 -1.26 -4.63 114.28 113.57 1vs7 n THR 6 Ca -0.06 -4.75 -0.40 0.00 -2.04 0.00 0.00 64.05 56.80 1vs7 n THR 6 Cb 0.50 -2.44 -0.10 0.00 -1.82 0.00 0.00 70.33 66.46 1vs7 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1vs7 s LEU 7 N 0.83 4.33 0.31 -4.42 2.01 -1.22 -5.00 118.68 115.52 1vs7 s LEU 7 Ca 0.41 -0.20 0.10 0.00 0.01 0.00 0.00 54.13 54.45 1vs7 s LEU 7 Cb -0.01 -2.22 -0.05 0.00 0.01 0.00 0.00 46.19 43.92 1vs7 s LEU 7 CO -0.00 -0.22 -0.10 0.00 1.01 0.00 0.00 176.35 177.05 1vs7 s GLN 8 N 1.85 1.89 0.00 1.70 -2.07 -1.26 0.80 119.66 122.57 1vs7 s GLN 8 Ca 0.09 -1.77 0.00 0.00 -1.82 0.00 0.00 55.36 51.86 1vs7 s GLN 8 Cb -0.17 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 29.92 1vs7 s GLN 8 CO 0.11 0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.72 1vs7 n GLY 9 N -0.78 1.53 3.29 2.60 0.00 0.26 -4.79 105.19 107.30 1vs7 n GLY 9 Ca -0.05 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1vs7 n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vs7 s ARG 10 N 1.84 2.79 -1.17 1.61 6.06 -0.14 -3.12 118.95 126.82 1vs7 s ARG 10 Ca 0.00 -0.84 -0.11 0.00 -2.50 0.00 0.00 55.73 52.27 1vs7 s ARG 10 Cb 0.00 -2.29 0.22 0.00 0.06 0.00 0.00 34.95 32.94 1vs7 s ARG 10 CO 0.00 0.34 1.33 0.28 -2.50 0.00 0.00 175.30 174.75 1vs7 n VAL 11 N 3.10 4.44 0.57 7.11 0.31 -1.26 0.14 118.33 132.73 1vs7 n VAL 11 Ca -0.18 -5.04 0.06 0.00 -0.01 0.00 0.00 64.34 59.18 1vs7 n VAL 11 Cb 0.52 -2.50 0.31 0.00 -0.91 0.00 0.00 33.84 31.26 1vs7 n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1vs7 n VAL 12 N 3.60 0.74 -4.11 2.52 3.14 -0.91 -3.56 118.33 119.76 1vs7 n VAL 12 Ca 0.31 0.18 -0.22 0.00 -2.96 0.00 0.00 64.34 61.66 1vs7 n VAL 12 Cb 0.40 -0.98 -0.17 0.00 -1.06 0.00 0.00 33.84 32.04 1vs7 n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1vs7 s SER 13 N -2.62 1.29 -0.42 6.55 0.15 -0.98 -4.98 113.70 112.69 1vs7 s SER 13 Ca 0.11 -0.16 0.08 0.00 0.70 0.00 0.00 55.95 56.69 1vs7 s SER 13 Cb 0.08 -0.53 0.33 0.00 -1.71 0.00 0.00 66.02 64.19 1vs7 s SER 13 CO 0.19 -0.08 0.94 -0.67 1.20 0.00 0.00 173.24 174.83 1vs7 n ASP 14 N 4.32 -1.02 0.00 5.45 -0.08 -1.26 -2.93 116.55 121.03 1vs7 n ASP 14 Ca -0.20 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.69 1vs7 n ASP 14 Cb 0.51 0.84 0.00 0.00 2.34 0.00 0.00 41.12 44.80 1vs7 n ASP 14 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1vs7 n LYS 15 N 0.39 2.56 -2.64 -0.67 3.00 -1.26 -4.82 118.16 114.72 1vs7 n LYS 15 Ca 0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.05 1vs7 n LYS 15 Cb 0.68 -0.65 -0.05 0.00 0.00 0.00 0.00 35.03 35.01 1vs7 n LYS 15 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1vs7 s MET 16 N -0.97 4.71 0.05 1.64 -1.94 -1.24 -4.96 119.30 116.58 1vs7 s MET 16 Ca 0.00 1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 55.27 1vs7 s MET 16 Cb 0.00 -3.29 -0.09 0.00 2.01 0.00 0.00 34.83 33.46 1vs7 s MET 16 CO 0.00 0.27 1.90 -1.21 -0.01 0.00 0.00 175.02 175.97 1vs7 s GLU 17 N -0.69 4.15 0.00 2.03 2.02 -1.26 -1.95 118.70 122.99 1vs7 s GLU 17 Ca 0.45 2.57 0.00 0.00 0.02 0.00 0.00 54.97 58.01 1vs7 s GLU 17 Cb -0.27 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 29.94 1vs7 s GLU 17 CO 0.34 -0.92 0.00 1.63 0.02 0.00 0.00 175.26 176.33 1vs7 n LYS 18 N 7.09 0.00 -3.72 1.61 5.02 -1.26 -4.91 118.16 122.00 1vs7 n LYS 18 Ca 0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 1vs7 n LYS 18 Cb 0.41 -3.17 -0.06 0.00 -0.02 0.00 0.00 35.03 32.19 1vs7 n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1vs7 s SER 19 N -1.70 6.47 -0.03 4.39 0.01 -0.82 0.15 113.70 122.17 1vs7 s SER 19 Ca 0.00 0.56 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 1vs7 s SER 19 Cb 0.00 -2.13 0.02 0.00 0.21 0.00 0.00 66.02 64.12 1vs7 s SER 19 CO 0.00 0.31 0.08 -0.63 0.41 0.00 0.00 173.24 173.41 1vs7 s ILE 20 N -0.64 -0.03 -0.26 1.44 1.09 0.04 -3.65 121.20 119.18 1vs7 s ILE 20 Ca 0.16 0.11 -0.12 0.00 -1.10 0.00 0.00 60.65 59.71 1vs7 s ILE 20 Cb -0.13 -0.13 -0.05 0.00 -1.06 0.00 0.00 42.46 41.09 1vs7 s ILE 20 CO 0.05 0.05 0.22 -0.69 -0.10 0.00 0.00 174.94 174.47 1vs7 s VAL 21 N 0.65 5.30 -0.06 2.92 1.01 -1.15 0.55 120.40 129.62 1vs7 s VAL 21 Ca -0.05 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1vs7 s VAL 21 Cb -0.07 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1vs7 s VAL 21 CO -0.02 0.26 -0.12 -0.69 0.00 0.00 0.00 175.10 174.53 1vs7 s VAL 22 N 1.58 3.25 -0.15 2.92 1.01 0.17 -2.14 120.40 127.05 1vs7 s VAL 22 Ca 0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1vs7 s VAL 22 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1vs7 s VAL 22 CO 0.09 0.59 0.01 0.00 0.00 0.00 0.00 175.10 175.78 1vs7 s ALA 23 N -0.68 3.20 -0.19 5.51 0.00 0.37 0.38 121.76 130.35 1vs7 s ALA 23 Ca 0.10 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1vs7 s ALA 23 Cb -0.11 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.39 1vs7 s ALA 23 CO 0.01 0.27 -0.04 0.42 0.00 0.00 0.00 175.76 176.42 1vs7 s ILE 24 N 0.13 1.17 0.93 0.00 1.09 -0.04 -0.97 121.20 123.51 1vs7 s ILE 24 Ca 0.02 -0.83 -0.15 0.00 -1.10 0.00 0.00 60.65 58.59 1vs7 s ILE 24 Cb -0.13 -1.43 0.16 0.00 -1.06 0.00 0.00 42.46 40.00 1vs7 s ILE 24 CO 0.02 0.00 1.24 -1.83 -0.10 0.00 0.00 174.94 174.27 1vs7 s GLU 25 N 1.58 0.98 -0.28 2.79 -1.05 -1.26 -0.02 118.70 121.44 1vs7 s GLU 25 Ca -0.02 -0.14 -0.25 0.00 -0.15 0.00 0.00 54.97 54.41 1vs7 s GLU 25 Cb -0.17 -1.86 0.14 0.00 -0.44 0.00 0.00 34.13 31.81 1vs7 s GLU 25 CO -0.07 -2.23 1.15 -0.98 0.95 0.00 0.00 175.26 174.08 1vs7 s ARG 26 N -5.69 0.38 0.87 -4.83 1.70 -0.08 -4.85 118.95 106.45 1vs7 s ARG 26 Ca 0.69 0.42 -0.12 0.00 -0.47 0.00 0.00 55.73 56.24 1vs7 s ARG 26 Cb -0.08 0.19 0.12 0.00 -0.57 0.00 0.00 34.95 34.60 1vs7 s ARG 26 CO 0.52 -0.05 1.14 -0.06 -1.08 0.00 0.00 175.30 175.76 1vs7 s PHE 27 N 0.07 2.65 -0.30 5.89 0.40 -1.26 -2.57 117.98 122.85 1vs7 s PHE 27 Ca 0.04 0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 57.07 1vs7 s PHE 27 Cb -0.05 -3.35 0.19 0.00 0.51 0.00 0.00 43.02 40.33 1vs7 s PHE 27 CO -0.08 -2.16 1.30 0.54 0.70 0.00 0.00 175.22 175.52 1vs7 s VAL 28 N -3.30 -0.03 0.16 -0.44 0.11 -1.12 -4.93 120.40 110.85 1vs7 s VAL 28 Ca 0.63 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.38 1vs7 s VAL 28 Cb -0.14 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.63 1vs7 s VAL 28 CO 0.53 0.00 1.28 -0.75 -3.33 0.00 0.00 175.10 172.83 1vs7 s LYS 29 N 2.15 4.40 0.23 1.54 2.36 -1.26 -1.75 119.74 127.42 1vs7 s LYS 29 Ca -0.01 1.98 -0.30 0.00 -2.55 0.00 0.00 55.97 55.09 1vs7 s LYS 29 Cb -0.01 -3.23 -0.09 0.00 -1.05 0.00 0.00 37.83 33.44 1vs7 s LYS 29 CO -0.15 -0.25 1.29 -1.58 1.55 0.00 0.00 175.35 176.21 1vs7 s HIS 30 N 0.39 3.24 -1.08 4.03 5.65 -1.25 -4.88 115.29 121.39 1vs7 s HIS 30 Ca 0.58 1.29 0.04 0.00 0.25 0.00 0.00 55.06 57.21 1vs7 s HIS 30 Cb -0.35 -3.59 0.17 0.00 -1.18 0.00 0.00 32.58 27.63 1vs7 s HIS 30 CO 0.35 -1.78 1.09 -0.35 -0.65 0.00 0.00 174.74 173.40 1vs7 n PRO 31 N 2.19 0.01 0.00 2.88 -0.04 -1.26 -1.86 135.00 136.92 1vs7 n PRO 31 Ca 0.04 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1vs7 n PRO 31 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1vs7 n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vs7 n ILE 32 N -1.46 0.00 -0.10 0.52 3.06 -1.26 -4.89 119.36 115.22 1vs7 n ILE 32 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1vs7 n ILE 32 Cb 0.04 0.64 0.00 0.00 0.54 0.00 0.00 39.64 40.86 1vs7 n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1vs7 n TYR 33 N 0.00 0.00 -2.60 9.51 0.53 -1.19 -5.01 117.16 118.40 1vs7 n TYR 33 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.81 1vs7 n TYR 33 Cb 0.40 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.71 1vs7 n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1vs7 n GLY 34 N 0.41 -0.50 3.17 2.72 0.00 -0.78 -4.82 105.19 105.39 1vs7 n GLY 34 Ca 0.00 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1vs7 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vs7 s LYS 35 N -5.14 2.58 -0.51 1.61 2.47 -1.26 -4.69 119.74 114.80 1vs7 s LYS 35 Ca 0.05 -2.18 -0.33 0.00 -1.56 0.00 0.00 55.97 51.95 1vs7 s LYS 35 Cb -0.03 -3.86 -0.13 0.00 -1.46 0.00 0.00 37.83 32.35 1vs7 s LYS 35 CO 0.06 -1.18 2.33 1.19 0.16 0.00 0.00 175.35 177.91 1vs7 n PHE 36 N 4.16 1.34 -3.71 4.03 3.72 -1.26 -3.88 117.46 121.87 1vs7 n PHE 36 Ca 0.02 0.29 -0.21 0.00 -0.05 0.00 0.00 57.45 57.51 1vs7 n PHE 36 Cb 0.40 -2.51 -0.03 0.00 -0.94 0.00 0.00 39.48 36.41 1vs7 n PHE 36 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1vs7 s ILE 37 N 8.53 3.63 0.37 4.37 -4.36 -0.72 -4.79 121.20 128.23 1vs7 s ILE 37 Ca 1.13 -1.27 -0.05 0.00 -0.26 0.00 0.00 60.65 60.20 1vs7 s ILE 37 Cb -0.84 -3.23 -0.05 0.00 1.25 0.00 0.00 42.46 39.59 1vs7 s ILE 37 CO 0.45 -0.16 0.65 -0.75 0.24 0.00 0.00 174.94 175.37 1vs7 s LYS 38 N -4.05 3.60 -0.30 0.37 2.20 -1.26 -2.80 119.74 117.50 1vs7 s LYS 38 Ca 0.42 0.06 -0.13 0.00 -0.36 0.00 0.00 55.97 55.96 1vs7 s LYS 38 Cb -0.07 -2.53 0.15 0.00 -1.51 0.00 0.00 37.83 33.87 1vs7 s LYS 38 CO 0.28 0.04 0.85 0.50 -0.36 0.00 0.00 175.35 176.65 1vs7 s ARG 39 N -4.10 0.42 -0.18 4.03 3.52 -1.06 -4.95 118.95 116.64 1vs7 s ARG 39 Ca 0.45 1.03 -0.11 0.00 -0.13 0.00 0.00 55.73 56.97 1vs7 s ARG 39 Cb -0.10 0.58 -0.05 0.00 -1.56 0.00 0.00 34.95 33.82 1vs7 s ARG 39 CO 0.36 -0.14 0.19 0.99 -0.81 0.00 0.00 175.30 175.89 1vs7 s THR 40 N 2.54 5.37 -0.24 4.11 2.01 -1.26 -0.91 115.64 127.27 1vs7 s THR 40 Ca -0.04 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1vs7 s THR 40 Cb -0.08 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1vs7 s THR 40 CO -0.18 0.44 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.21 1vs7 s THR 41 N 0.29 2.68 0.11 -0.82 2.01 0.97 -4.88 115.64 115.99 1vs7 s THR 41 Ca 0.12 -1.11 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 1vs7 s THR 41 Cb -0.12 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.97 1vs7 s THR 41 CO 0.01 0.20 0.44 -0.54 -0.69 0.00 0.00 174.62 174.04 1vs7 s LYS 42 N 1.29 3.78 0.05 4.92 1.02 -1.26 -0.86 119.74 128.68 1vs7 s LYS 42 Ca -0.01 0.20 -0.00 0.00 0.02 0.00 0.00 55.97 56.18 1vs7 s LYS 42 Cb -0.17 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1vs7 s LYS 42 CO -0.06 0.51 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.34 1vs7 s LEU 43 N -2.11 2.40 -0.71 3.17 1.02 0.16 -4.95 118.68 117.66 1vs7 s LEU 43 Ca 0.36 -0.82 -0.13 0.00 0.02 0.00 0.00 54.13 53.57 1vs7 s LEU 43 Cb -0.14 0.11 0.19 0.00 0.02 0.00 0.00 46.19 46.37 1vs7 s LEU 43 CO 0.19 -0.47 0.64 -1.00 0.02 0.00 0.00 176.35 175.74 1vs7 s HIS 44 N -2.96 3.58 0.22 0.29 3.76 -1.26 0.44 115.29 119.36 1vs7 s HIS 44 Ca -0.01 -1.89 -0.15 0.00 -0.15 0.00 0.00 55.06 52.87 1vs7 s HIS 44 Cb 0.01 -3.73 -0.08 0.00 1.11 0.00 0.00 32.58 29.89 1vs7 s HIS 44 CO -0.06 -0.98 0.63 0.08 -0.85 0.00 0.00 174.74 173.56 1vs7 s VAL 45 N 0.57 4.77 0.90 -0.90 1.01 0.19 -3.81 120.40 123.12 1vs7 s VAL 45 Ca 0.13 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 1vs7 s VAL 45 Cb -0.17 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.64 1vs7 s VAL 45 CO -0.05 0.08 1.25 -2.28 0.00 0.00 0.00 175.10 174.10 1vs7 s HIS 46 N -1.66 2.20 0.00 5.22 2.46 0.41 -0.78 115.29 123.13 1vs7 s HIS 46 Ca 0.45 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.50 1vs7 s HIS 46 Cb -0.14 -3.82 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 1vs7 s HIS 46 CO 0.20 -2.28 0.00 -3.47 -2.47 0.00 0.00 174.74 166.72 1vs7 n ASP 47 N -3.59 0.00 0.00 9.88 4.64 0.12 -3.48 116.55 124.13 1vs7 n ASP 47 Ca 0.12 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.62 1vs7 n ASP 47 Cb 0.60 0.00 0.52 0.00 -1.04 0.00 0.00 41.12 41.21 1vs7 n ASP 47 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 1vs7 n GLU 48 N 0.00 0.54 -0.00 -0.67 2.13 -1.26 -2.41 120.64 118.96 1vs7 n GLU 48 Ca 0.00 0.01 0.04 0.00 0.66 0.00 0.00 57.16 57.87 1vs7 n GLU 48 Cb 0.00 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.15 1vs7 n GLU 48 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vs7 n ASN 49 N -1.02 2.09 -0.60 4.31 3.02 -1.26 -4.97 115.26 116.82 1vs7 n ASN 49 Ca 0.13 -0.26 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 1vs7 n ASN 49 Cb 0.07 1.24 -0.03 0.00 -0.61 0.00 0.00 39.78 40.44 1vs7 n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vs7 n ASN 50 N -1.56 -5.39 -0.11 6.41 3.02 -1.01 -4.84 115.26 111.77 1vs7 n ASN 50 Ca -0.00 0.19 -0.07 0.00 -0.03 0.00 0.00 54.58 54.67 1vs7 n ASN 50 Cb 0.18 -3.77 -0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1vs7 n ASN 50 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1vs7 h GLU 51 N 0.00 -0.20 -7.32 3.52 4.11 -1.93 -3.42 114.58 109.34 1vs7 h GLU 51 Ca -0.15 0.01 -0.51 0.00 0.07 0.00 0.00 59.36 58.78 1vs7 h GLU 51 Cb 1.06 0.05 0.12 0.00 0.50 0.00 0.00 28.75 30.47 1vs7 h GLU 51 CO 0.23 -0.13 0.34 0.00 0.07 0.00 0.00 179.01 179.51 1vs7 n GLY 53 N -1.45 3.20 3.77 0.00 0.00 -1.26 -5.07 105.19 104.38 1vs7 n GLY 53 Ca 0.09 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1vs7 n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vs7 s ILE 54 N -3.01 3.37 0.00 -0.61 2.07 -1.26 -3.05 121.20 118.70 1vs7 s ILE 54 Ca 0.28 1.15 0.00 0.00 -1.41 0.00 0.00 60.65 60.67 1vs7 s ILE 54 Cb 0.01 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.96 1vs7 s ILE 54 CO 0.20 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 1vs7 n GLY 55 N 0.63 2.89 0.00 1.50 0.00 -1.23 -4.90 105.19 104.08 1vs7 n GLY 55 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vs7 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vs7 n ASP 56 N 0.23 -0.66 -3.45 1.61 8.00 -1.17 -4.26 116.55 116.85 1vs7 n ASP 56 Ca 0.00 -0.02 -0.07 0.00 0.71 0.00 0.00 54.79 55.41 1vs7 n ASP 56 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1vs7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vs7 s VAL 57 N -0.35 -0.68 0.29 2.53 1.01 -0.48 -4.13 120.40 118.59 1vs7 s VAL 57 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1vs7 s VAL 57 Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 1vs7 s VAL 57 CO 0.00 -0.04 -0.07 0.68 0.00 0.00 0.00 175.10 175.67 1vs7 s VAL 58 N 2.62 1.76 -0.09 2.92 -7.23 -1.18 0.17 120.40 119.37 1vs7 s VAL 58 Ca 0.08 -2.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1vs7 s VAL 58 Cb -0.14 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 1vs7 s VAL 58 CO -0.15 -0.30 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.39 1vs7 s GLU 59 N -3.70 2.86 0.42 4.82 2.12 -0.91 -0.58 118.70 123.73 1vs7 s GLU 59 Ca 0.30 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.78 1vs7 s GLU 59 Cb 0.03 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 1vs7 s GLU 59 CO 0.12 0.25 0.13 0.96 -0.54 0.00 0.00 175.26 176.18 1vs7 s ILE 60 N 0.18 0.60 0.07 -3.70 -0.00 0.24 -0.86 121.20 117.73 1vs7 s ILE 60 Ca -0.14 -2.00 -0.02 0.00 -0.00 0.00 0.00 60.65 58.49 1vs7 s ILE 60 Cb -0.17 -2.33 -0.04 0.00 -0.00 0.00 0.00 42.46 39.93 1vs7 s ILE 60 CO 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 174.94 175.02 1vs7 s ARG 61 N -3.70 0.69 0.60 0.37 1.70 -0.69 -3.40 118.95 114.52 1vs7 s ARG 61 Ca 0.23 -1.23 -0.14 0.00 -0.47 0.00 0.00 55.73 54.11 1vs7 s ARG 61 Cb 0.02 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1vs7 s ARG 61 CO 0.14 -0.15 1.04 -2.00 -1.08 0.00 0.00 175.30 173.25 1vs7 s GLU 62 N -3.94 3.38 0.10 3.89 2.12 -1.26 -1.99 118.70 121.01 1vs7 s GLU 62 Ca 0.10 1.06 -0.15 0.00 0.36 0.00 0.00 54.97 56.34 1vs7 s GLU 62 Cb 0.08 -2.05 0.05 0.00 0.26 0.00 0.00 34.13 32.47 1vs7 s GLU 62 CO -0.08 -0.75 0.71 0.00 -0.54 0.00 0.00 175.26 174.60 1vs7 n ARG 64 N -0.50 1.85 -1.70 0.00 0.63 -1.26 -4.61 116.66 111.07 1vs7 n ARG 64 Ca -0.01 0.65 -0.28 0.00 -0.92 0.00 0.00 57.85 57.30 1vs7 n ARG 64 Cb 0.39 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 31.06 1vs7 n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vs7 s PRO 65 N -1.42 2.07 0.00 -0.14 0.04 -1.26 -4.63 135.00 129.66 1vs7 s PRO 65 Ca 0.60 0.76 0.09 0.00 0.04 0.00 0.00 61.00 62.48 1vs7 s PRO 65 Cb -0.63 -4.68 0.40 0.00 0.04 0.00 0.00 34.50 29.62 1vs7 s PRO 65 CO 0.59 -3.60 1.25 1.28 0.04 0.00 0.00 177.00 176.55 1vs7 n LEU 66 N 16.11 0.00 0.00 -3.56 4.32 -0.85 -4.83 117.00 128.19 1vs7 n LEU 66 Ca 0.38 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.81 1vs7 n LEU 66 Cb 0.50 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1vs7 n LEU 66 CO 0.64 -0.31 0.00 -0.24 -1.22 0.00 0.00 177.39 176.26 1vs7 n SER 67 N -1.44 0.00 -4.75 -1.43 2.88 -1.03 -5.04 113.62 102.82 1vs7 n SER 67 Ca 0.03 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.22 1vs7 n SER 67 Cb 0.09 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.61 1vs7 n SER 67 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1vs7 s LYS 68 N -1.81 2.70 -0.14 -1.46 2.20 -1.26 -2.42 119.74 117.55 1vs7 s LYS 68 Ca 0.00 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1vs7 s LYS 68 Cb 0.00 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1vs7 s LYS 68 CO 0.00 -1.40 0.00 0.25 -0.36 0.00 0.00 175.35 173.84 1vs7 n THR 69 N -2.06 0.00 -3.79 3.43 -2.24 -1.26 -4.81 114.28 103.54 1vs7 n THR 69 Ca 0.13 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.65 1vs7 n THR 69 Cb 0.50 -0.24 -0.17 0.00 -2.10 0.00 0.00 70.33 68.32 1vs7 n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1vs7 s LYS 70 N -1.02 0.89 0.00 -0.78 2.20 -1.02 -4.07 119.74 115.93 1vs7 s LYS 70 Ca 0.00 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1vs7 s LYS 70 Cb 0.00 -1.71 0.11 0.00 -1.51 0.00 0.00 37.83 34.72 1vs7 s LYS 70 CO 0.00 -0.47 0.99 -1.13 -0.36 0.00 0.00 175.35 174.39 1vs7 n SER 71 N 5.03 -0.34 -3.93 1.43 3.41 -1.25 -2.01 113.62 115.95 1vs7 n SER 71 Ca -0.09 -1.90 -0.17 0.00 -0.26 0.00 0.00 58.87 56.45 1vs7 n SER 71 Cb 0.48 0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 1vs7 n SER 71 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1vs7 s TRP 72 N 0.00 0.57 0.07 7.33 0.52 -1.26 -0.87 118.94 125.31 1vs7 s TRP 72 Ca 0.09 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.16 1vs7 s TRP 72 Cb 0.10 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.94 1vs7 s TRP 72 CO -0.04 -0.08 -0.18 0.95 0.02 0.00 0.00 176.95 177.62 1vs7 s THR 73 N 0.31 2.82 0.18 2.01 -4.23 -0.84 0.16 115.64 116.05 1vs7 s THR 73 Ca -0.04 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 1vs7 s THR 73 Cb -0.07 -2.23 -0.08 0.00 1.34 0.00 0.00 72.50 71.46 1vs7 s THR 73 CO -0.00 0.24 1.09 -0.22 -0.54 0.00 0.00 174.62 175.19 1vs7 s LEU 74 N -1.73 4.50 -0.21 4.79 1.98 -1.23 -1.70 118.68 125.09 1vs7 s LEU 74 Ca 0.16 2.09 -0.05 0.00 -2.89 0.00 0.00 54.13 53.44 1vs7 s LEU 74 Cb -0.11 -3.61 -0.20 0.00 0.66 0.00 0.00 46.19 42.94 1vs7 s LEU 74 CO 0.07 -0.19 -0.01 1.33 -1.89 0.00 0.00 176.35 175.66 1vs7 n VAL 75 N 2.26 1.60 -3.63 1.68 0.24 -0.04 -4.94 118.33 115.50 1vs7 n VAL 75 Ca 0.02 -0.54 -0.03 0.00 -2.04 0.00 0.00 64.34 61.76 1vs7 n VAL 75 Cb 0.46 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 31.17 1vs7 n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vs7 s ARG 76 N -2.52 0.12 -0.02 7.34 1.70 -1.21 -5.05 118.95 119.31 1vs7 s ARG 76 Ca -0.31 -0.00 -0.28 0.00 -0.47 0.00 0.00 55.73 54.67 1vs7 s ARG 76 Cb 0.09 0.06 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1vs7 s ARG 76 CO 0.64 -0.05 0.90 0.08 -1.08 0.00 0.00 175.30 175.80 1vs7 s VAL 77 N -1.50 4.92 -0.10 4.99 1.01 -1.26 -2.14 120.40 126.32 1vs7 s VAL 77 Ca 0.09 1.89 -0.23 0.00 0.00 0.00 0.00 61.98 63.72 1vs7 s VAL 77 Cb -0.01 -4.24 -0.28 0.00 0.00 0.00 0.00 36.38 31.85 1vs7 s VAL 77 CO -0.05 0.18 0.76 0.58 0.00 0.00 0.00 175.10 176.57 1vs7 h VAL 78 N 4.80 1.50 -3.59 2.92 2.07 0.13 -3.47 116.25 120.62 1vs7 h VAL 78 Ca -0.41 -2.44 -0.31 0.00 0.82 0.00 0.00 66.70 64.37 1vs7 h VAL 78 Cb 1.21 3.14 -0.32 0.00 -1.52 0.00 0.00 31.29 33.80 1vs7 h VAL 78 CO 0.75 0.65 -0.74 -1.61 0.02 0.00 0.00 177.57 176.65 1vs7 s GLU 79 N -2.36 0.17 -0.08 1.57 2.02 -0.46 -4.99 118.70 114.58 1vs7 s GLU 79 Ca -0.17 0.06 -0.05 0.00 0.02 0.00 0.00 54.97 54.83 1vs7 s GLU 79 Cb 0.00 -0.32 -0.21 0.00 0.10 0.00 0.00 34.13 33.70 1vs7 s GLU 79 CO 0.76 -0.09 3.03 0.36 0.02 0.00 0.00 175.26 179.34 1vs7 n LYS 80 N 3.81 1.72 -0.02 1.61 -0.00 -1.26 -1.38 118.16 122.64 1vs7 n LYS 80 Ca -0.23 -0.88 0.00 0.00 -0.00 0.00 0.00 58.31 57.20 1vs7 n LYS 80 Cb 0.53 -1.95 -0.00 0.00 -0.00 0.00 0.00 35.03 33.61 1vs7 n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs7 n ALA 81 N 2.67 -0.05 -3.38 0.58 0.00 -1.26 -4.74 120.51 114.33 1vs7 n ALA 81 Ca 0.37 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 1vs7 n ALA 81 Cb 0.72 -0.02 -0.14 0.00 0.00 0.00 0.00 19.45 20.01 1vs7 n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs7 s VAL 82 N -0.03 3.03 0.00 0.00 0.11 -1.26 -4.89 120.40 117.36 1vs7 s VAL 82 Ca 0.00 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1vs7 s VAL 82 Cb 0.00 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1vs7 s VAL 82 CO 0.00 0.49 0.36 0.18 -3.33 0.00 0.00 175.10 172.80