#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr4 s ILE 2 N 0.00 3.58 -0.16 1.12 1.01 -1.25 -4.96 121.20 120.54 1vr4 s ILE 2 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1vr4 s ILE 2 Cb 0.00 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.82 1vr4 s ILE 2 CO 0.00 0.04 -0.13 -0.69 0.00 0.00 0.00 174.94 174.16 1vr4 s VAL 3 N 1.76 1.54 0.01 2.92 1.01 -1.26 -0.82 120.40 125.57 1vr4 s VAL 3 Ca 0.64 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1vr4 s VAL 3 Cb -0.33 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1vr4 s VAL 3 CO 0.28 0.37 -0.04 0.28 0.00 0.00 0.00 175.10 175.99 1vr4 s THR 4 N 1.48 0.28 -2.07 3.92 -1.32 -0.11 -5.00 115.64 112.82 1vr4 s THR 4 Ca 0.03 -0.53 0.17 0.00 -1.21 0.00 0.00 61.69 60.15 1vr4 s THR 4 Cb -0.14 -0.31 0.46 0.00 -1.51 0.00 0.00 72.50 71.00 1vr4 s THR 4 CO -0.10 -0.17 1.60 0.35 -2.21 0.00 0.00 174.62 174.09 1vr4 n THR 5 N 2.32 0.07 -2.84 5.08 -2.24 -1.26 -1.51 114.28 113.89 1vr4 n THR 5 Ca -0.18 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.31 1vr4 n THR 5 Cb 0.57 -0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1vr4 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1vr4 s THR 6 N -1.93 2.81 -0.91 4.28 2.01 -1.26 -4.39 115.64 116.25 1vr4 s THR 6 Ca 0.27 -0.85 0.27 0.00 0.31 0.00 0.00 61.69 61.69 1vr4 s THR 6 Cb 0.13 -2.96 0.17 0.00 0.01 0.00 0.00 72.50 69.85 1vr4 s THR 6 CO 0.21 0.00 1.71 -1.20 -0.69 0.00 0.00 174.62 174.65 1vr4 n SER 7 N -2.10 0.36 -3.64 3.53 7.64 -1.26 0.96 113.62 119.11 1vr4 n SER 7 Ca 0.08 0.30 -0.07 0.00 1.01 0.00 0.00 58.87 60.19 1vr4 n SER 7 Cb 0.59 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 1vr4 n SER 7 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vr4 s GLY 8 N -3.19 -0.34 -0.71 0.23 0.00 -1.26 -4.78 107.32 97.27 1vr4 s GLY 8 Ca 0.12 0.37 -0.15 0.00 0.00 0.00 0.00 44.72 45.06 1vr4 s GLY 8 CO 0.60 0.11 0.65 -0.42 0.00 0.00 0.00 173.10 174.05 1vr4 s ILE 9 N -3.43 5.41 -0.38 0.90 1.01 -1.26 -5.01 121.20 118.43 1vr4 s ILE 9 Ca 0.08 -2.08 -0.31 0.00 0.00 0.00 0.00 60.65 58.34 1vr4 s ILE 9 Cb -0.02 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 1vr4 s ILE 9 CO -0.03 -0.96 2.28 0.00 0.00 0.00 0.00 174.94 176.24 1vr4 n GLN 10 N 4.49 1.26 0.00 2.79 6.02 -1.26 0.44 117.38 131.12 1vr4 n GLN 10 Ca 0.02 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1vr4 n GLN 10 Cb 0.44 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.87 1vr4 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vr4 n GLY 11 N 6.21 1.77 3.27 1.08 0.00 -1.26 -5.10 105.19 111.15 1vr4 n GLY 11 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1vr4 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vr4 s LYS 12 N 0.00 2.73 0.21 1.61 -0.14 0.17 -5.11 119.74 119.21 1vr4 s LYS 12 Ca 0.00 -0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 53.43 1vr4 s LYS 12 Cb 0.00 -2.23 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 1vr4 s LYS 12 CO 0.00 0.32 1.03 -1.21 -0.76 0.00 0.00 175.35 174.73 1vr4 s GLU 13 N -0.01 4.70 -0.17 1.68 2.02 -1.26 -4.52 118.70 121.15 1vr4 s GLU 13 Ca -0.08 1.62 -0.27 0.00 0.02 0.00 0.00 54.97 56.26 1vr4 s GLU 13 Cb -0.15 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 1vr4 s GLU 13 CO 0.05 0.27 0.92 0.42 0.02 0.00 0.00 175.26 176.94 1vr4 s ILE 14 N -0.69 4.81 -0.04 -1.63 1.01 -1.26 -4.64 121.20 118.77 1vr4 s ILE 14 Ca 0.45 1.82 -0.25 0.00 0.00 0.00 0.00 60.65 62.67 1vr4 s ILE 14 Cb -0.28 -4.22 -0.22 0.00 0.01 0.00 0.00 42.46 37.75 1vr4 s ILE 14 CO 0.34 -0.02 1.07 0.40 0.00 0.00 0.00 174.94 176.74 1vr4 h ILE 15 N 5.22 1.52 -2.75 2.92 2.04 -1.31 -3.47 117.51 121.69 1vr4 h ILE 15 Ca -0.28 -1.79 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 1vr4 h ILE 15 Cb 1.12 2.64 -0.26 0.00 -0.74 0.00 0.00 36.82 39.58 1vr4 h ILE 15 CO 0.87 0.49 -0.29 -0.70 0.00 0.00 0.00 178.15 178.52 1vr4 s GLU 16 N -3.34 0.41 -0.66 2.37 2.12 -1.08 -4.98 118.70 113.55 1vr4 s GLU 16 Ca -0.16 0.64 -0.25 0.00 0.36 0.00 0.00 54.97 55.57 1vr4 s GLU 16 Cb 0.01 0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.55 1vr4 s GLU 16 CO 0.73 -0.10 1.09 0.71 -0.54 0.00 0.00 175.26 177.14 1vr4 s TYR 17 N 0.77 2.55 -0.06 5.30 1.51 -1.26 -0.91 117.35 125.25 1vr4 s TYR 17 Ca -0.05 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.66 1vr4 s TYR 17 Cb -0.06 -4.39 -0.11 0.00 -0.11 0.00 0.00 41.96 37.30 1vr4 s TYR 17 CO -0.06 -1.74 0.60 0.82 -1.11 0.00 0.00 175.55 174.07 1vr4 h ILE 18 N 6.02 0.47 -1.78 2.71 1.08 -0.89 -3.49 117.51 121.64 1vr4 h ILE 18 Ca -0.28 -1.03 0.24 0.00 -0.39 0.00 0.00 64.86 63.40 1vr4 h ILE 18 Cb 1.06 0.82 -0.14 0.00 -3.07 0.00 0.00 36.82 35.49 1vr4 h ILE 18 CO 1.20 0.13 0.70 -0.62 -0.69 0.00 0.00 178.15 178.87 1vr4 s ASP 19 N -5.38 -0.16 -0.03 1.72 -1.08 -1.14 -5.02 116.67 105.59 1vr4 s ASP 19 Ca -0.09 -0.12 -0.23 0.00 -0.52 0.00 0.00 52.55 51.60 1vr4 s ASP 19 Cb 0.00 0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 41.67 1vr4 s ASP 19 CO 0.31 -0.45 0.68 -0.63 0.52 0.00 0.00 175.17 175.61 1vr4 s ILE 20 N -2.71 4.95 0.14 4.11 1.01 -1.26 0.95 121.20 128.38 1vr4 s ILE 20 Ca 0.11 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.26 1vr4 s ILE 20 Cb 0.01 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1vr4 s ILE 20 CO -0.04 0.32 -0.18 0.68 0.00 0.00 0.00 174.94 175.72 1vr4 s VAL 21 N 0.38 1.70 0.05 2.92 -7.23 -0.24 -4.90 120.40 113.08 1vr4 s VAL 21 Ca 0.36 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1vr4 s VAL 21 Cb -0.18 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1vr4 s VAL 21 CO 0.19 -0.27 0.00 0.20 -0.31 0.00 0.00 175.10 174.91 1vr4 s ASN 22 N -2.43 0.38 -0.00 4.85 -0.87 -1.26 -1.54 114.94 114.07 1vr4 s ASN 22 Ca 0.12 -0.82 -0.10 0.00 -1.57 0.00 0.00 52.86 50.49 1vr4 s ASN 22 Cb -0.07 0.20 0.01 0.00 -0.02 0.00 0.00 41.25 41.37 1vr4 s ASN 22 CO 0.05 -0.54 0.20 -0.83 -2.57 0.00 0.00 177.10 173.41 1vr4 s GLY 23 N -2.54 -0.03 -0.01 0.66 0.00 -0.39 -3.77 107.32 101.24 1vr4 s GLY 23 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 1vr4 s GLY 23 CO -0.08 -0.15 0.04 -0.54 0.00 0.00 0.00 173.10 172.38 1vr4 s GLU 24 N -1.45 0.16 -0.08 2.90 8.01 -1.26 -0.31 118.70 126.67 1vr4 s GLU 24 Ca -0.14 -0.11 0.01 0.00 0.01 0.00 0.00 54.97 54.74 1vr4 s GLU 24 Cb -0.06 0.06 0.02 0.00 -4.31 0.00 0.00 34.13 29.84 1vr4 s GLU 24 CO 0.02 -0.03 -0.10 0.00 0.01 0.00 0.00 175.26 175.17 1vr4 s ALA 25 N -0.42 1.21 -0.36 5.21 0.00 -0.28 -4.56 121.76 122.55 1vr4 s ALA 25 Ca -0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1vr4 s ALA 25 Cb -0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 1vr4 s ALA 25 CO -0.00 -0.07 0.45 0.42 0.00 0.00 0.00 175.76 176.57 1vr4 s ILE 26 N 1.02 5.07 0.92 0.00 1.01 -1.26 -1.29 121.20 126.67 1vr4 s ILE 26 Ca -0.08 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 1vr4 s ILE 26 Cb -0.15 -3.94 0.15 0.00 0.01 0.00 0.00 42.46 38.53 1vr4 s ILE 26 CO -0.00 -0.22 1.17 -0.04 0.00 0.00 0.00 174.94 175.84 1vr4 s MET 27 N 2.24 1.02 0.28 2.79 -1.94 0.23 -4.96 119.30 118.96 1vr4 s MET 27 Ca 0.15 0.12 -0.29 0.00 -1.71 0.00 0.00 55.69 53.97 1vr4 s MET 27 Cb -0.16 -1.84 -0.09 0.00 2.01 0.00 0.00 34.83 34.75 1vr4 s MET 27 CO 0.13 -2.25 1.03 0.20 -0.01 0.00 0.00 175.02 174.12 1vr4 s GLY 28 N -4.25 3.05 -0.62 -0.03 0.00 -1.26 -3.74 107.32 100.48 1vr4 s GLY 28 Ca 0.66 0.76 -0.26 0.00 0.00 0.00 0.00 44.72 45.88 1vr4 s GLY 28 CO 0.53 1.33 2.27 0.00 0.00 0.00 0.00 173.10 177.23 1vr4 s ALA 29 N -1.23 1.51 0.00 3.20 0.00 -1.26 -4.53 121.76 119.45 1vr4 s ALA 29 Ca 0.44 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1vr4 s ALA 29 Cb -0.28 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.43 1vr4 s ALA 29 CO 0.36 -4.73 0.20 -2.13 0.00 0.00 0.00 175.76 169.46 1vr4 n ARG 40 N 8.99 0.00 -3.25 0.00 0.63 -1.26 -4.97 116.66 116.80 1vr4 n ARG 40 Ca 0.36 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.87 1vr4 n ARG 40 Cb 0.51 -1.11 -0.08 0.00 0.45 0.00 0.00 32.46 32.23 1vr4 n ARG 40 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1vr4 s ASP 41 N 1.63 6.27 -0.14 6.15 1.01 -1.26 -5.02 116.67 125.30 1vr4 s ASP 41 Ca 0.00 -0.32 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 1vr4 s ASP 41 Cb 0.00 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1vr4 s ASP 41 CO 0.00 -0.57 -0.06 -0.69 0.21 0.00 0.00 175.17 174.06 1vr4 s VAL 42 N 2.38 3.71 -0.03 -1.27 1.01 -1.26 -5.11 120.40 119.83 1vr4 s VAL 42 Ca 0.17 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1vr4 s VAL 42 Cb -0.16 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1vr4 s VAL 42 CO 0.15 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.98 1vr4 s VAL 43 N 0.27 0.76 0.49 2.92 1.01 -1.26 -5.14 120.40 119.45 1vr4 s VAL 43 Ca -0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1vr4 s VAL 43 Cb -0.14 -0.69 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 1vr4 s VAL 43 CO 0.03 0.25 1.10 -0.83 0.00 0.00 0.00 175.10 175.65 1vr4 s GLY 44 N 0.36 2.64 0.67 4.51 0.00 -1.26 -4.94 107.32 109.30 1vr4 s GLY 44 Ca -0.06 0.76 0.33 0.00 0.00 0.00 0.00 44.72 45.75 1vr4 s GLY 44 CO 0.01 1.13 2.00 -1.33 0.00 0.00 0.00 173.10 174.91 1vr4 h GLY 45 N 1.68 0.00 -1.18 0.20 0.00 -2.00 -1.25 103.07 100.52 1vr4 h GLY 45 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1vr4 h GLY 45 CO 0.59 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.67 1vr4 n ARG 46 N -2.92 2.61 -2.34 4.80 1.74 -1.26 -2.55 116.66 116.74 1vr4 n ARG 46 Ca -0.02 -2.62 -0.42 0.00 -0.77 0.00 0.00 57.85 54.02 1vr4 n ARG 46 Cb 0.33 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1vr4 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vr4 s ALA 47 N -2.50 3.49 -0.11 7.54 0.00 -0.47 -2.99 121.76 126.72 1vr4 s ALA 47 Ca 0.36 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1vr4 s ALA 47 Cb 0.28 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1vr4 s ALA 47 CO 0.08 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1vr4 n GLY 48 N 3.40 0.35 3.25 0.00 0.00 -1.26 -4.99 105.19 105.94 1vr4 n GLY 48 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1vr4 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vr4 s SER 49 N -2.09 0.10 0.03 1.61 1.04 -1.16 -5.07 113.70 108.16 1vr4 s SER 49 Ca 0.00 -0.76 -0.17 0.00 0.48 0.00 0.00 55.95 55.50 1vr4 s SER 49 Cb 0.00 0.37 -0.23 0.00 0.10 0.00 0.00 66.02 66.26 1vr4 s SER 49 CO 0.00 -0.79 1.14 0.22 0.98 0.00 0.00 173.24 174.79 1vr4 h TYR 50 N 2.68 0.79 -2.29 5.02 3.20 -1.94 -3.45 116.97 120.98 1vr4 h TYR 50 Ca -0.33 -0.42 -0.55 0.00 3.14 0.00 0.00 58.73 60.56 1vr4 h TYR 50 Cb 1.21 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.30 1vr4 h TYR 50 CO 0.42 1.25 -0.62 -1.21 -1.64 0.00 0.00 178.16 176.35 1vr4 s GLU 51 N -3.28 2.44 0.53 1.82 2.02 -1.26 -5.02 118.70 115.94 1vr4 s GLU 51 Ca -0.12 -1.30 -0.22 0.00 0.02 0.00 0.00 54.97 53.35 1vr4 s GLU 51 Cb 0.05 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 1vr4 s GLU 51 CO 0.86 0.38 1.33 0.45 0.02 0.00 0.00 175.26 178.31 1vr4 s SER 52 N -3.62 5.43 0.38 -0.19 0.15 -1.26 -4.73 113.70 109.87 1vr4 s SER 52 Ca 0.31 2.70 0.11 0.00 0.70 0.00 0.00 55.95 59.77 1vr4 s SER 52 Cb -0.07 -2.63 0.89 0.00 -1.71 0.00 0.00 66.02 62.49 1vr4 s SER 52 CO 0.21 -1.46 1.91 0.11 1.20 0.00 0.00 173.24 175.21 1vr4 h LYS 53 N 1.58 0.59 -0.03 5.44 6.56 -1.89 -1.63 116.57 127.18 1vr4 h LYS 53 Ca -0.51 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1vr4 h LYS 53 Cb 1.29 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1vr4 h LYS 53 CO 0.58 0.39 0.00 1.28 -2.06 0.00 0.00 179.45 179.64 1vr4 n LEU 54 N -4.51 1.00 -0.26 2.94 4.77 -1.26 -4.35 117.00 115.33 1vr4 n LEU 54 Ca 0.15 -0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 55.73 1vr4 n LEU 54 Cb 0.43 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1vr4 n LEU 54 CO 0.32 0.18 1.17 0.50 -1.33 0.00 0.00 177.39 178.22 1vr4 h LYS 55 N 1.51 0.91 0.15 3.23 3.64 -1.65 -0.44 116.57 123.92 1vr4 h LYS 55 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1vr4 h LYS 55 Cb 0.32 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1vr4 h LYS 55 CO 0.00 0.60 -0.22 1.49 -2.27 0.00 0.00 179.45 179.05 1vr4 h GLU 56 N 0.94 -0.42 -0.22 1.90 4.81 -1.79 0.20 114.58 120.00 1vr4 h GLU 56 Ca 0.28 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1vr4 h GLU 56 Cb -0.05 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1vr4 h GLU 56 CO -0.08 -0.28 -0.10 0.00 -0.73 0.00 0.00 179.01 177.82 1vr4 h ALA 57 N 0.33 0.09 -0.72 2.92 0.00 -1.81 -1.23 119.26 118.84 1vr4 h ALA 57 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1vr4 h ALA 57 Cb 0.43 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1vr4 h ALA 57 CO -0.10 -0.52 0.29 -0.09 0.00 0.00 0.00 179.25 178.83 1vr4 h ARG 58 N -0.07 1.08 -0.31 0.00 2.43 -0.90 -0.95 114.38 115.66 1vr4 h ARG 58 Ca 0.12 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 1vr4 h ARG 58 Cb 0.24 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1vr4 h ARG 58 CO -0.26 0.89 -0.48 -0.44 -1.51 0.00 0.00 179.97 178.16 1vr4 h ASP 59 N 1.03 0.92 -0.61 -3.80 3.32 -0.49 -0.92 116.42 115.87 1vr4 h ASP 59 Ca 0.24 -0.46 0.06 0.00 0.02 0.00 0.00 57.03 56.88 1vr4 h ASP 59 Cb 0.21 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1vr4 h ASP 59 CO -0.02 1.24 0.32 0.40 -1.72 0.00 0.00 179.24 179.47 1vr4 h ILE 60 N 0.66 0.95 -0.35 0.35 2.04 -0.96 0.21 117.51 120.41 1vr4 h ILE 60 Ca 0.03 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1vr4 h ILE 60 Cb 1.07 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1vr4 h ILE 60 CO 0.11 0.11 0.08 0.00 0.00 0.00 0.00 178.15 178.45 1vr4 h ALA 61 N 1.33 0.46 -0.10 1.87 0.00 -1.00 -2.42 119.26 119.41 1vr4 h ALA 61 Ca 0.28 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1vr4 h ALA 61 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1vr4 h ALA 61 CO -0.18 0.13 -0.50 0.52 0.00 0.00 0.00 179.25 179.22 1vr4 h MET 62 N 0.41 0.27 -0.40 0.00 2.86 -0.90 -2.56 114.93 114.62 1vr4 h MET 62 Ca 0.11 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1vr4 h MET 62 Cb 0.31 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1vr4 h MET 62 CO 0.00 0.71 0.16 -0.44 1.06 0.00 0.00 176.91 178.41 1vr4 h ASP 63 N 0.22 0.54 -0.02 1.22 3.32 -0.48 -0.61 116.42 120.61 1vr4 h ASP 63 Ca 0.01 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1vr4 h ASP 63 Cb 0.96 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1vr4 h ASP 63 CO 0.08 0.56 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.96 1vr4 h GLU 64 N 0.50 -0.17 -0.32 3.56 4.81 -1.37 0.11 114.58 121.69 1vr4 h GLU 64 Ca 0.13 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1vr4 h GLU 64 Cb 0.18 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1vr4 h GLU 64 CO -0.01 -0.11 0.17 1.98 -0.73 0.00 0.00 179.01 180.30 1vr4 h MET 65 N -0.18 0.34 -0.72 1.92 4.05 -1.29 -1.47 114.93 117.58 1vr4 h MET 65 Ca 0.05 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1vr4 h MET 65 Cb 0.24 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 1vr4 h MET 65 CO -0.12 0.23 0.45 0.87 0.23 0.00 0.00 176.91 178.56 1vr4 h LYS 66 N 0.35 0.85 -0.67 0.39 1.57 -0.99 -1.38 116.57 116.69 1vr4 h LYS 66 Ca 0.13 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1vr4 h LYS 66 Cb 0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1vr4 h LYS 66 CO -0.08 0.56 0.12 0.93 -0.57 0.00 0.00 179.45 180.41 1vr4 h GLU 67 N 0.88 1.10 -0.26 3.15 3.07 -0.26 -0.24 114.58 122.01 1vr4 h GLU 67 Ca 0.29 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1vr4 h GLU 67 Cb 0.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1vr4 h GLU 67 CO -0.12 1.00 0.03 1.25 -1.40 0.00 0.00 179.01 179.77 1vr4 h LEU 68 N 1.03 0.43 -0.61 1.33 5.85 -1.16 -1.05 115.31 121.12 1vr4 h LEU 68 Ca 0.21 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1vr4 h LEU 68 Cb 0.42 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1vr4 h LEU 68 CO 0.01 0.59 0.32 0.00 -0.34 0.00 0.00 178.44 179.02 1vr4 h ALA 69 N 0.85 0.80 -0.80 1.25 0.00 -1.06 -1.05 119.26 119.25 1vr4 h ALA 69 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1vr4 h ALA 69 Cb 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1vr4 h ALA 69 CO 0.01 -0.01 0.37 -0.22 0.00 0.00 0.00 179.25 179.39 1vr4 h LYS 70 N 0.61 1.16 -0.63 0.00 3.64 -0.98 -1.20 116.57 119.17 1vr4 h LYS 70 Ca 0.27 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1vr4 h LYS 70 Cb 0.17 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1vr4 h LYS 70 CO -0.18 0.90 0.42 0.37 -2.27 0.00 0.00 179.45 178.69 1vr4 h GLN 71 N 1.14 0.63 -0.23 1.90 4.15 -0.16 -2.14 115.11 120.40 1vr4 h GLN 71 Ca 0.27 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1vr4 h GLN 71 Cb 0.14 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1vr4 h GLN 71 CO -0.03 0.42 0.00 1.63 -1.93 0.00 0.00 178.83 178.92 1vr4 n LYS 72 N -4.47 1.74 -1.55 1.69 5.02 -0.50 -4.91 118.16 115.18 1vr4 n LYS 72 Ca 0.09 -1.13 -0.02 0.00 -2.02 0.00 0.00 58.31 55.23 1vr4 n LYS 72 Cb 0.21 -1.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1vr4 n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vr4 n GLY 73 N 1.09 0.40 3.81 0.72 0.00 -0.81 -5.03 105.19 105.37 1vr4 n GLY 73 Ca 0.14 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1vr4 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vr4 s ALA 74 N -2.07 3.32 -0.64 4.61 0.00 -0.54 -4.77 121.76 121.67 1vr4 s ALA 74 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1vr4 s ALA 74 Cb 0.00 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.30 1vr4 s ALA 74 CO 0.00 0.27 0.99 0.27 0.00 0.00 0.00 175.76 177.29 1vr4 n ASN 75 N 0.51 2.19 -3.48 0.00 0.23 -0.62 -4.48 115.26 109.61 1vr4 n ASN 75 Ca 0.00 -1.74 -0.14 0.00 -0.53 0.00 0.00 54.58 52.17 1vr4 n ASN 75 Cb 0.51 -0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 1vr4 n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vr4 s ALA 76 N -0.84 -1.59 -0.05 -2.53 0.00 -0.96 -3.91 121.76 111.88 1vr4 s ALA 76 Ca 0.12 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1vr4 s ALA 76 Cb 0.07 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1vr4 s ALA 76 CO 0.09 -0.61 0.05 0.42 0.00 0.00 0.00 175.76 175.71 1vr4 s ILE 77 N -2.83 -0.03 0.39 0.00 1.01 0.00 -1.07 121.20 118.68 1vr4 s ILE 77 Ca -0.03 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1vr4 s ILE 77 Cb -0.01 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.17 1vr4 s ILE 77 CO -0.05 0.17 0.14 0.68 0.00 0.00 0.00 174.94 175.88 1vr4 s VAL 78 N 2.14 2.43 -1.42 2.92 -7.23 -0.72 -0.93 120.40 117.59 1vr4 s VAL 78 Ca 0.05 -1.76 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 1vr4 s VAL 78 Cb -0.12 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.89 1vr4 s VAL 78 CO -0.04 -0.06 0.54 0.61 -0.31 0.00 0.00 175.10 175.85 1vr4 n GLY 79 N -1.16 -0.51 3.77 2.32 0.00 0.27 -0.56 105.19 109.32 1vr4 n GLY 79 Ca -0.02 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1vr4 n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vr4 s VAL 80 N -3.05 3.68 0.07 1.61 -7.23 -0.72 -4.48 120.40 110.28 1vr4 s VAL 80 Ca 0.34 1.54 0.06 0.00 -1.81 0.00 0.00 61.98 62.12 1vr4 s VAL 80 Cb -0.17 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.82 1vr4 s VAL 80 CO 0.42 0.25 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.68 1vr4 s ASP 81 N -1.18 2.01 -0.15 4.85 2.15 0.56 -4.39 116.67 120.52 1vr4 s ASP 81 Ca 0.48 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1vr4 s ASP 81 Cb -0.27 -0.10 -0.00 0.00 -0.30 0.00 0.00 42.92 42.24 1vr4 s ASP 81 CO 0.35 0.01 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.52 1vr4 s VAL 82 N -1.10 2.72 0.09 1.11 1.01 -1.26 -1.17 120.40 121.80 1vr4 s VAL 82 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1vr4 s VAL 82 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1vr4 s VAL 82 CO 0.03 0.52 -0.09 -1.81 0.00 0.00 0.00 175.10 173.74 1vr4 s ASP 83 N 0.71 4.46 -0.07 3.32 1.01 0.13 -4.98 116.67 121.24 1vr4 s ASP 83 Ca -0.07 -0.34 0.02 0.00 0.71 0.00 0.00 52.55 52.87 1vr4 s ASP 83 Cb -0.16 -0.89 0.02 0.00 1.01 0.00 0.00 42.92 42.90 1vr4 s ASP 83 CO 0.02 0.19 -0.10 -0.31 0.21 0.00 0.00 175.17 175.18 1vr4 s TYR 84 N -1.19 1.40 -0.01 4.23 1.51 -1.26 -1.20 117.35 120.83 1vr4 s TYR 84 Ca 0.21 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1vr4 s TYR 84 Cb -0.11 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1vr4 s TYR 84 CO 0.13 -0.32 0.01 -2.00 -1.11 0.00 0.00 175.55 172.25 1vr4 s GLU 85 N 0.92 0.02 -0.16 -0.62 2.56 -0.68 -5.01 118.70 115.73 1vr4 s GLU 85 Ca -0.10 0.05 -0.29 0.00 0.00 0.00 0.00 54.97 54.63 1vr4 s GLU 85 Cb -0.15 -0.11 -0.00 0.00 2.00 0.00 0.00 34.13 35.87 1vr4 s GLU 85 CO 0.01 -0.05 1.03 0.08 -0.56 0.00 0.00 175.26 175.77 1vr4 s VAL 86 N 0.35 4.71 0.00 3.70 1.01 -1.26 -0.24 120.40 128.67 1vr4 s VAL 86 Ca -0.03 2.02 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1vr4 s VAL 86 Cb -0.04 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1vr4 s VAL 86 CO -0.01 -0.08 0.00 0.52 0.00 0.00 0.00 175.10 175.53 1vr4 n VAL 87 N 4.93 0.00 -0.68 2.92 0.31 0.22 -4.96 118.33 121.07 1vr4 n VAL 87 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1vr4 n VAL 87 Cb 0.47 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1vr4 n VAL 87 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vr4 n ARG 88 N -1.04 1.81 -0.96 5.55 1.74 -1.26 -4.78 116.66 117.73 1vr4 n ARG 88 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1vr4 n ARG 88 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1vr4 n ARG 88 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1vr4 n ASP 89 N 0.00 -0.04 0.00 0.55 8.00 -1.26 -2.65 116.55 121.15 1vr4 n ASP 89 Ca 0.00 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1vr4 n ASP 89 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1vr4 n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vr4 n GLY 90 N 4.74 2.88 3.70 0.44 0.00 -1.26 -4.68 105.19 111.00 1vr4 n GLY 90 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 1vr4 n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vr4 n MET 91 N -2.00 2.30 -3.19 1.61 2.81 -1.09 -4.67 117.12 112.90 1vr4 n MET 91 Ca 0.00 0.82 -0.40 0.00 -1.81 0.00 0.00 57.70 56.31 1vr4 n MET 91 Cb 0.00 -2.55 -0.07 0.00 -0.71 0.00 0.00 33.22 29.90 1vr4 n MET 91 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1vr4 s LEU 92 N 0.12 4.13 -0.15 4.03 1.02 -1.25 0.72 118.68 127.30 1vr4 s LEU 92 Ca 0.69 0.71 -0.07 0.00 0.02 0.00 0.00 54.13 55.47 1vr4 s LEU 92 Cb -0.60 -2.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.80 1vr4 s LEU 92 CO 0.46 -0.24 0.09 -0.32 0.02 0.00 0.00 176.35 176.37 1vr4 s MET 93 N 1.89 3.70 -0.18 1.70 -2.45 0.67 0.76 119.30 125.38 1vr4 s MET 93 Ca 0.25 -0.25 -0.02 0.00 -1.25 0.00 0.00 55.69 54.41 1vr4 s MET 93 Cb -0.16 -3.19 -0.01 0.00 1.25 0.00 0.00 34.83 32.72 1vr4 s MET 93 CO 0.10 0.52 -0.07 0.08 1.05 0.00 0.00 175.02 176.69 1vr4 s VAL 94 N -0.30 3.35 -0.06 10.11 1.01 -0.41 -1.69 120.40 132.41 1vr4 s VAL 94 Ca 0.10 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1vr4 s VAL 94 Cb -0.12 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1vr4 s VAL 94 CO 0.01 0.47 -0.18 0.00 0.00 0.00 0.00 175.10 175.41 1vr4 s ALA 95 N 0.87 1.64 -0.04 5.51 0.00 -0.34 -1.12 121.76 128.27 1vr4 s ALA 95 Ca -0.02 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1vr4 s ALA 95 Cb -0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1vr4 s ALA 95 CO 0.01 0.27 -0.20 0.08 0.00 0.00 0.00 175.76 175.92 1vr4 s VAL 96 N 0.17 1.63 0.07 0.00 1.01 0.58 0.19 120.40 124.05 1vr4 s VAL 96 Ca -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1vr4 s VAL 96 Cb -0.13 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1vr4 s VAL 96 CO 0.04 0.46 -0.07 -0.94 0.00 0.00 0.00 175.10 174.59 1vr4 s SER 97 N -0.10 1.01 0.01 3.32 1.04 -0.32 -1.27 113.70 117.39 1vr4 s SER 97 Ca -0.02 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 1vr4 s SER 97 Cb -0.12 0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.19 1vr4 s SER 97 CO 0.02 -0.36 1.22 -0.83 0.98 0.00 0.00 173.24 174.27 1vr4 s GLY 98 N -2.42 -0.38 -0.30 7.32 0.00 -0.59 -0.32 107.32 110.64 1vr4 s GLY 98 Ca 0.02 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.30 1vr4 s GLY 98 CO -0.03 0.12 0.10 -1.59 0.00 0.00 0.00 173.10 171.71 1vr4 s THR 99 N -2.60 4.22 0.14 0.90 2.01 0.28 -1.07 115.64 119.53 1vr4 s THR 99 Ca 0.13 -0.54 -0.31 0.00 0.31 0.00 0.00 61.69 61.29 1vr4 s THR 99 Cb 0.03 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 1vr4 s THR 99 CO -0.03 0.10 1.30 0.00 -0.69 0.00 0.00 174.62 175.30 1vr4 s ALA 100 N 1.55 3.51 0.06 7.40 0.00 0.27 -1.75 121.76 132.81 1vr4 s ALA 100 Ca 0.04 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1vr4 s ALA 100 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1vr4 s ALA 100 CO 0.04 -0.52 -0.08 0.14 0.00 0.00 0.00 175.76 175.34 1vr4 s VAL 101 N 0.60 0.66 -0.21 0.00 -7.23 -0.23 -0.13 120.40 113.85 1vr4 s VAL 101 Ca 0.59 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 1vr4 s VAL 101 Cb -0.35 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 1vr4 s VAL 101 CO 0.34 -0.53 0.20 -0.60 -0.31 0.00 0.00 175.10 174.20 1vr4 s ARG 102 N -2.34 4.15 0.00 4.82 6.06 -0.08 -1.59 118.95 129.96 1vr4 s ARG 102 Ca -0.02 -0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.08 1vr4 s ARG 102 Cb -0.05 -3.49 0.00 0.00 0.06 0.00 0.00 34.95 31.47 1vr4 s ARG 102 CO -0.01 0.14 0.36 0.44 -2.50 0.00 0.00 175.30 173.74