#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 3.85 -0.12 1.12 1.01 -1.23 -4.93 121.20 120.90 1vr4 s ILE 2 Ca 0.00 1.06 0.01 0.00 0.00 0.00 0.00 60.65 61.72 1vr4 s ILE 2 Cb 0.00 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1vr4 s ILE 2 CO 0.00 -0.08 -0.17 -0.69 0.00 0.00 0.00 174.94 173.99 1vr4 s VAL 3 N 3.65 2.66 -0.02 2.92 1.01 -1.26 -1.25 120.40 128.11 1vr4 s VAL 3 Ca 0.65 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1vr4 s VAL 3 Cb -0.29 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1vr4 s VAL 3 CO 0.24 0.54 0.23 0.28 0.00 0.00 0.00 175.10 176.38 1vr4 s THR 4 N 0.36 0.06 -0.89 3.92 -1.32 -0.45 -4.99 115.64 112.33 1vr4 s THR 4 Ca -0.14 -0.47 0.27 0.00 -1.21 0.00 0.00 61.69 60.14 1vr4 s THR 4 Cb -0.17 -0.49 0.22 0.00 -1.51 0.00 0.00 72.50 70.55 1vr4 s THR 4 CO 0.07 -0.26 1.80 0.35 -2.21 0.00 0.00 174.62 174.36 1vr4 n THR 5 N 1.66 0.22 -1.54 5.08 -2.24 -1.26 -1.51 114.28 114.69 1vr4 n THR 5 Ca -0.20 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1vr4 n THR 5 Cb 0.56 -0.44 0.12 0.00 -2.10 0.00 0.00 70.33 68.47 1vr4 n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vr4 s THR 6 N -3.04 2.37 -0.73 4.28 -4.23 -1.26 -4.00 115.64 109.02 1vr4 s THR 6 Ca 0.12 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1vr4 s THR 6 Cb 0.16 -2.86 0.36 0.00 1.34 0.00 0.00 72.50 71.50 1vr4 s THR 6 CO 0.58 -0.16 1.54 -1.20 -0.54 0.00 0.00 174.62 174.85 1vr4 n SER 7 N -3.66 6.19 0.00 3.99 7.64 -1.26 0.50 113.62 127.02 1vr4 n SER 7 Ca 0.07 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.20 1vr4 n SER 7 Cb 0.58 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1vr4 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vr4 n GLY 8 N -0.37 3.93 3.48 0.23 0.00 -1.26 -4.94 105.19 106.26 1vr4 n GLY 8 Ca 0.44 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1vr4 n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vr4 s ILE 9 N -1.27 2.78 -0.39 -0.61 -1.09 -1.26 -5.02 121.20 114.33 1vr4 s ILE 9 Ca 0.00 -1.51 -0.13 0.00 -2.23 0.00 0.00 60.65 56.79 1vr4 s ILE 9 Cb 0.00 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1vr4 s ILE 9 CO 0.00 0.12 0.25 -1.10 -1.23 0.00 0.00 174.94 172.97 1vr4 s GLN 10 N -2.09 2.87 0.00 2.79 -1.52 -1.26 -3.69 119.66 116.77 1vr4 s GLN 10 Ca 0.17 -1.07 0.00 0.00 -1.95 0.00 0.00 55.36 52.52 1vr4 s GLN 10 Cb -0.10 -3.84 0.00 0.00 -0.22 0.00 0.00 33.01 28.85 1vr4 s GLN 10 CO 0.09 -0.73 0.00 0.41 -0.25 0.00 0.00 175.29 174.81 1vr4 n GLY 11 N 5.06 0.65 3.02 3.09 0.00 -1.26 -5.03 105.19 110.72 1vr4 n GLY 11 Ca -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.11 0.54 0.41 1.61 3.01 -1.24 -5.14 119.74 117.81 1vr4 s LYS 12 Ca 0.00 0.11 -0.26 0.00 -1.01 0.00 0.00 55.97 54.81 1vr4 s LYS 12 Cb 0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 37.83 36.61 1vr4 s LYS 12 CO 0.00 -1.08 1.33 -0.85 0.51 0.00 0.00 175.35 175.26 1vr4 n GLU 13 N 5.13 2.12 -3.04 1.68 0.28 -1.26 -4.35 120.64 121.20 1vr4 n GLU 13 Ca 0.05 0.75 -0.40 0.00 -0.16 0.00 0.00 57.16 57.40 1vr4 n GLU 13 Cb 0.51 -2.45 -0.05 0.00 1.43 0.00 0.00 31.44 30.88 1vr4 n GLU 13 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1vr4 s ILE 14 N -1.17 4.93 -0.03 3.84 1.01 -1.26 -4.45 121.20 124.07 1vr4 s ILE 14 Ca 0.59 1.49 0.08 0.00 0.00 0.00 0.00 60.65 62.81 1vr4 s ILE 14 Cb -0.50 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 37.79 1vr4 s ILE 14 CO 0.59 0.31 0.19 2.30 0.00 0.00 0.00 174.94 178.33 1vr4 n ILE 15 N 3.35 0.00 -3.76 2.92 -5.35 -0.59 -4.97 119.36 110.96 1vr4 n ILE 15 Ca -0.02 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 1vr4 n ILE 15 Cb 0.51 0.36 -0.13 0.00 -1.74 0.00 0.00 39.64 38.63 1vr4 n ILE 15 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1vr4 s GLU 16 N -2.51 0.16 -0.49 6.28 2.12 -1.24 -5.00 118.70 118.02 1vr4 s GLU 16 Ca -0.03 0.39 -0.14 0.00 0.36 0.00 0.00 54.97 55.55 1vr4 s GLU 16 Cb 0.05 -0.09 0.10 0.00 0.26 0.00 0.00 34.13 34.46 1vr4 s GLU 16 CO 0.33 -0.13 0.41 0.71 -0.54 0.00 0.00 175.26 176.05 1vr4 s TYR 17 N 0.92 3.29 -0.05 5.30 1.51 -1.26 -1.66 117.35 125.40 1vr4 s TYR 17 Ca -0.07 -1.29 -0.21 0.00 -1.01 0.00 0.00 57.07 54.49 1vr4 s TYR 17 Cb -0.08 -3.44 -0.16 0.00 -0.11 0.00 0.00 41.96 38.16 1vr4 s TYR 17 CO -0.05 -0.92 0.89 0.82 -1.11 0.00 0.00 175.55 175.18 1vr4 h ILE 18 N 5.91 0.89 -1.42 2.71 2.04 -1.11 -3.49 117.51 123.03 1vr4 h ILE 18 Ca -0.27 -1.14 0.30 0.00 1.00 0.00 0.00 64.86 64.74 1vr4 h ILE 18 Cb 1.10 1.48 -0.16 0.00 -0.74 0.00 0.00 36.82 38.51 1vr4 h ILE 18 CO 0.93 0.23 0.84 -0.62 0.00 0.00 0.00 178.15 179.52 1vr4 s ASP 19 N -5.49 -0.09 0.07 1.72 -1.08 -1.21 -5.03 116.67 105.57 1vr4 s ASP 19 Ca -0.13 -0.06 -0.26 0.00 -0.52 0.00 0.00 52.55 51.58 1vr4 s ASP 19 Cb 0.00 0.14 -0.06 0.00 -1.46 0.00 0.00 42.92 41.55 1vr4 s ASP 19 CO 0.49 -0.24 0.81 -0.63 0.52 0.00 0.00 175.17 176.11 1vr4 s ILE 20 N -2.39 4.64 0.24 4.11 1.01 -1.26 -1.23 121.20 126.32 1vr4 s ILE 20 Ca 0.12 1.73 0.10 0.00 0.00 0.00 0.00 60.65 62.60 1vr4 s ILE 20 Cb 0.02 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1vr4 s ILE 20 CO -0.04 0.37 -0.18 0.68 0.00 0.00 0.00 174.94 175.77 1vr4 s VAL 21 N -0.17 2.13 0.02 2.92 -7.23 0.27 -4.92 120.40 113.43 1vr4 s VAL 21 Ca 0.40 -2.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1vr4 s VAL 21 Cb -0.21 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1vr4 s VAL 21 CO 0.25 -0.45 0.22 0.20 -0.31 0.00 0.00 175.10 175.01 1vr4 s ASN 22 N -3.30 -0.04 0.01 4.85 0.01 -1.26 -1.67 114.94 113.55 1vr4 s ASN 22 Ca 0.25 -0.21 -0.07 0.00 -0.71 0.00 0.00 52.86 52.13 1vr4 s ASN 22 Cb -0.04 0.28 -0.00 0.00 0.41 0.00 0.00 41.25 41.90 1vr4 s ASN 22 CO 0.11 -0.49 0.12 -0.83 -1.51 0.00 0.00 177.10 174.50 1vr4 s GLY 23 N -1.74 0.08 -0.01 0.66 0.00 0.22 -4.16 107.32 102.37 1vr4 s GLY 23 Ca -0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.23 1vr4 s GLY 23 CO -0.01 -0.40 0.29 -1.83 0.00 0.00 0.00 173.10 171.15 1vr4 s GLU 24 N -1.72 0.65 0.01 2.90 1.03 -1.26 -0.30 118.70 120.01 1vr4 s GLU 24 Ca -0.12 -0.24 0.01 0.00 0.03 0.00 0.00 54.97 54.65 1vr4 s GLU 24 Cb -0.06 0.29 -0.01 0.00 -0.80 0.00 0.00 34.13 33.55 1vr4 s GLU 24 CO -0.00 -0.18 -0.03 0.00 -1.33 0.00 0.00 175.26 173.72 1vr4 s ALA 25 N -1.40 0.21 -0.06 -0.84 0.00 -0.44 -4.43 121.76 114.81 1vr4 s ALA 25 Ca -0.13 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1vr4 s ALA 25 Cb -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1vr4 s ALA 25 CO 0.04 0.01 -0.21 0.42 0.00 0.00 0.00 175.76 176.01 1vr4 s ILE 26 N -0.41 1.75 0.08 0.00 1.09 -1.26 -1.06 121.20 121.38 1vr4 s ILE 26 Ca -0.03 -0.87 0.05 0.00 -1.10 0.00 0.00 60.65 58.70 1vr4 s ILE 26 Cb -0.03 -1.50 -0.03 0.00 -1.06 0.00 0.00 42.46 39.84 1vr4 s ILE 26 CO -0.00 0.49 -0.14 0.00 -0.10 0.00 0.00 174.94 175.19 1vr4 s MET 27 N 0.13 0.85 0.00 2.79 0.23 -0.38 -5.00 119.30 117.91 1vr4 s MET 27 Ca -0.09 -1.00 0.00 0.00 -1.03 0.00 0.00 55.69 53.57 1vr4 s MET 27 Cb -0.14 -0.82 0.00 0.00 -1.53 0.00 0.00 34.83 32.34 1vr4 s MET 27 CO 0.05 0.18 0.00 0.41 -2.03 0.00 0.00 175.02 173.62 1vr4 n GLY 28 N 1.14 3.26 0.00 3.16 0.00 -1.26 -1.88 105.19 109.62 1vr4 n GLY 28 Ca -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1vr4 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vr4 n ALA 29 N 0.42 0.00 -0.36 4.61 0.00 -1.26 -4.72 120.51 119.20 1vr4 n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vr4 n ALA 29 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1vr4 n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vr4 h GLU 51 N 0.00 1.22 0.00 0.00 4.81 -2.05 -3.53 114.58 115.03 1vr4 h GLU 51 Ca 0.00 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1vr4 h GLU 51 Cb 0.00 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1vr4 h GLU 51 CO 0.00 0.81 -0.70 0.66 -0.73 0.00 0.00 179.01 179.04 1vr4 h SER 52 N 1.26 0.00 1.59 1.04 4.64 -2.05 -2.52 113.55 117.50 1vr4 h SER 52 Ca 0.39 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.64 1vr4 h SER 52 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1vr4 h SER 52 CO -0.12 0.70 -0.35 0.11 -0.87 0.00 0.00 176.83 176.31 1vr4 h LYS 53 N 0.00 0.00 -0.26 4.77 1.79 -2.05 -2.57 116.57 118.25 1vr4 h LYS 53 Ca -0.01 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1vr4 h LYS 53 Cb 1.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 1vr4 h LYS 53 CO 0.09 0.35 -0.05 1.25 -1.08 0.00 0.00 179.45 180.02 1vr4 h LEU 54 N 0.00 0.49 -0.67 2.94 6.46 -1.96 -1.02 115.31 121.55 1vr4 h LEU 54 Ca -0.00 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.41 1vr4 h LEU 54 Cb 1.24 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1vr4 h LEU 54 CO 0.05 0.73 0.44 0.50 -0.62 0.00 0.00 178.44 179.54 1vr4 h LYS 55 N 0.25 0.89 -0.28 1.25 3.11 -1.43 -0.78 116.57 119.59 1vr4 h LYS 55 Ca 0.07 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1vr4 h LYS 55 Cb 0.50 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1vr4 h LYS 55 CO 0.02 0.59 0.09 0.93 -2.81 0.00 0.00 179.45 178.27 1vr4 h GLU 56 N 0.91 0.20 -0.36 1.90 5.08 -1.37 -1.48 114.58 119.46 1vr4 h GLU 56 Ca 0.25 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1vr4 h GLU 56 Cb -0.10 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1vr4 h GLU 56 CO -0.05 0.13 0.12 0.00 -1.00 0.00 0.00 179.01 178.21 1vr4 h ALA 57 N 1.18 0.42 -0.80 3.43 0.00 -0.89 -0.19 119.26 122.40 1vr4 h ALA 57 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1vr4 h ALA 57 Cb 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1vr4 h ALA 57 CO -0.13 -0.27 0.51 -0.09 0.00 0.00 0.00 179.25 179.27 1vr4 h ARG 58 N 0.27 0.98 -0.04 0.00 2.43 -0.90 -0.06 114.38 117.06 1vr4 h ARG 58 Ca 0.17 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1vr4 h ARG 58 Cb 0.15 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1vr4 h ARG 58 CO -0.18 0.65 0.02 -0.44 -1.51 0.00 0.00 179.97 178.51 1vr4 h ASP 59 N 1.01 0.05 -0.40 -3.80 3.32 -0.87 -0.73 116.42 114.99 1vr4 h ASP 59 Ca 0.32 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.29 1vr4 h ASP 59 Cb -0.00 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1vr4 h ASP 59 CO -0.11 0.16 0.16 0.40 -1.72 0.00 0.00 179.24 178.13 1vr4 h ILE 60 N -0.07 0.91 -0.27 0.35 2.04 -0.71 0.56 117.51 120.33 1vr4 h ILE 60 Ca 0.01 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1vr4 h ILE 60 Cb 0.13 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1vr4 h ILE 60 CO -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 178.15 178.19 1vr4 h ALA 61 N 1.24 0.22 -0.39 1.87 0.00 -0.89 -0.42 119.26 120.90 1vr4 h ALA 61 Ca 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1vr4 h ALA 61 Cb 0.14 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1vr4 h ALA 61 CO -0.17 -0.43 0.16 0.52 0.00 0.00 0.00 179.25 179.33 1vr4 h MET 62 N 0.06 0.58 -0.83 0.00 2.86 -0.94 -1.47 114.93 115.19 1vr4 h MET 62 Ca 0.13 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1vr4 h MET 62 Cb 0.18 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1vr4 h MET 62 CO -0.23 0.55 0.44 -0.44 1.06 0.00 0.00 176.91 178.29 1vr4 h ASP 63 N 0.48 1.04 -0.79 1.22 3.32 -0.75 -0.51 116.42 120.43 1vr4 h ASP 63 Ca 0.13 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1vr4 h ASP 63 Cb 0.19 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1vr4 h ASP 63 CO -0.01 0.85 0.34 -0.33 -1.72 0.00 0.00 179.24 178.38 1vr4 h GLU 64 N 1.15 1.17 -0.35 3.56 5.08 -0.91 -1.00 114.58 123.28 1vr4 h GLU 64 Ca 0.29 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1vr4 h GLU 64 Cb 0.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1vr4 h GLU 64 CO -0.04 0.93 -0.05 1.98 -1.00 0.00 0.00 179.01 180.83 1vr4 h MET 65 N 1.14 0.65 -0.91 2.33 4.05 -0.98 -2.73 114.93 118.49 1vr4 h MET 65 Ca 0.27 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1vr4 h MET 65 Cb 0.18 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1vr4 h MET 65 CO -0.03 0.80 0.57 0.87 0.23 0.00 0.00 176.91 179.35 1vr4 h LYS 66 N 0.45 1.23 -0.44 0.39 1.57 -0.99 -1.10 116.57 117.67 1vr4 h LYS 66 Ca 0.09 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1vr4 h LYS 66 Cb 0.54 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1vr4 h LYS 66 CO 0.03 0.85 0.23 1.49 -0.57 0.00 0.00 179.45 181.48 1vr4 h GLU 67 N 1.25 0.44 -0.24 3.15 4.81 -1.14 -0.80 114.58 122.06 1vr4 h GLU 67 Ca 0.33 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1vr4 h GLU 67 Cb -0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1vr4 h GLU 67 CO -0.06 0.29 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.43 1vr4 h LEU 68 N 0.46 0.43 -0.50 1.64 3.38 -1.12 -2.01 115.31 117.59 1vr4 h LEU 68 Ca 0.19 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1vr4 h LEU 68 Cb 0.09 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1vr4 h LEU 68 CO -0.13 0.64 0.07 0.00 0.09 0.00 0.00 178.44 179.12 1vr4 h ALA 69 N 0.80 0.54 -0.84 1.53 0.00 -1.08 -1.33 119.26 118.87 1vr4 h ALA 69 Ca 0.07 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1vr4 h ALA 69 Cb 0.43 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1vr4 h ALA 69 CO 0.01 -0.33 0.42 -0.22 0.00 0.00 0.00 179.25 179.13 1vr4 h LYS 70 N 0.20 1.21 0.00 0.00 1.63 -0.93 -1.33 116.57 117.35 1vr4 h LYS 70 Ca 0.25 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1vr4 h LYS 70 Cb 0.35 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1vr4 h LYS 70 CO -0.35 0.92 -0.29 1.96 -3.45 0.00 0.00 179.45 178.23 1vr4 h GLN 71 N 1.20 0.00 -0.00 1.90 4.20 -0.87 -2.07 115.11 119.47 1vr4 h GLN 71 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1vr4 h GLN 71 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1vr4 h GLN 71 CO -0.04 0.29 -0.02 1.63 -0.67 0.00 0.00 178.83 180.03 1vr4 n LYS 72 N -3.48 0.95 -0.59 1.46 5.02 -0.55 -4.93 118.16 116.04 1vr4 n LYS 72 Ca -0.00 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1vr4 n LYS 72 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.12 0.67 3.85 0.72 0.00 -0.78 -5.05 105.19 105.73 1vr4 n GLY 73 Ca 0.20 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.25 -0.01 4.61 0.00 -0.54 -4.78 121.76 122.28 1vr4 s ALA 74 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1vr4 s ALA 74 Cb 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1vr4 s ALA 74 CO 0.00 0.17 0.85 0.27 0.00 0.00 0.00 175.76 177.06 1vr4 n ASN 75 N -0.72 1.30 -3.48 0.00 0.23 -0.23 -4.41 115.26 107.95 1vr4 n ASN 75 Ca 0.04 -1.77 -0.14 0.00 -0.53 0.00 0.00 54.58 52.18 1vr4 n ASN 75 Cb 0.54 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.79 -1.72 -0.08 -2.53 0.00 -1.06 -3.55 121.76 112.05 1vr4 s ALA 76 Ca 0.03 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1vr4 s ALA 76 Cb 0.02 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1vr4 s ALA 76 CO 0.00 -0.56 -0.07 0.42 0.00 0.00 0.00 175.76 175.55 1vr4 s ILE 77 N -2.41 0.85 0.35 0.00 1.01 -0.38 -0.98 121.20 119.65 1vr4 s ILE 77 Ca -0.04 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.46 1vr4 s ILE 77 Cb -0.01 -0.85 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 1vr4 s ILE 77 CO -0.02 0.31 -0.07 0.68 0.00 0.00 0.00 174.94 175.85 1vr4 s VAL 78 N 1.26 2.25 -1.35 2.92 -7.23 -0.35 -1.34 120.40 116.56 1vr4 s VAL 78 Ca -0.04 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 57.95 1vr4 s VAL 78 Cb -0.14 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1vr4 s VAL 78 CO -0.02 -0.17 0.77 0.61 -0.31 0.00 0.00 175.10 175.98 1vr4 n GLY 79 N -0.84 -0.34 3.75 2.32 0.00 0.18 -0.87 105.19 109.39 1vr4 n GLY 79 Ca -0.05 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1vr4 n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vr4 s VAL 80 N -3.58 4.03 -0.00 1.61 1.01 -0.57 -4.43 120.40 118.47 1vr4 s VAL 80 Ca 0.15 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1vr4 s VAL 80 Cb -0.07 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1vr4 s VAL 80 CO 0.81 0.46 -0.05 -0.62 0.00 0.00 0.00 175.10 175.71 1vr4 s ASP 81 N -1.03 0.59 -0.07 3.32 2.15 -0.37 -4.40 116.67 116.86 1vr4 s ASP 81 Ca 0.42 -0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.31 1vr4 s ASP 81 Cb -0.27 -0.06 -0.02 0.00 -0.30 0.00 0.00 42.92 42.28 1vr4 s ASP 81 CO 0.33 0.04 -0.16 0.54 -0.17 0.00 0.00 175.17 175.75 1vr4 s VAL 82 N -0.21 2.90 0.09 1.11 0.11 -1.26 -1.50 120.40 121.63 1vr4 s VAL 82 Ca 0.01 -0.77 0.09 0.00 -2.93 0.00 0.00 61.98 58.38 1vr4 s VAL 82 Cb -0.02 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 1vr4 s VAL 82 CO -0.00 0.57 -0.22 -1.81 -3.33 0.00 0.00 175.10 170.31 1vr4 s ASP 83 N -0.39 2.70 -0.07 3.54 1.01 0.86 -5.00 116.67 119.33 1vr4 s ASP 83 Ca 0.04 -0.64 0.03 0.00 0.71 0.00 0.00 52.55 52.69 1vr4 s ASP 83 Cb -0.12 -0.18 0.01 0.00 1.01 0.00 0.00 42.92 43.63 1vr4 s ASP 83 CO 0.02 0.12 -0.15 -0.31 0.21 0.00 0.00 175.17 175.06 1vr4 s TYR 84 N -1.01 1.70 -0.05 4.23 1.51 -1.26 -0.63 117.35 121.83 1vr4 s TYR 84 Ca 0.08 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1vr4 s TYR 84 Cb -0.10 -1.20 0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1vr4 s TYR 84 CO 0.04 -0.29 0.11 -2.00 -1.11 0.00 0.00 175.55 172.30 1vr4 s GLU 85 N 0.54 0.05 -0.86 -0.62 2.56 0.29 -4.99 118.70 115.67 1vr4 s GLU 85 Ca -0.14 0.32 -0.23 0.00 0.00 0.00 0.00 54.97 54.91 1vr4 s GLU 85 Cb -0.16 -0.20 0.07 0.00 2.00 0.00 0.00 34.13 35.84 1vr4 s GLU 85 CO 0.05 -0.17 1.24 0.08 -0.56 0.00 0.00 175.26 175.90 1vr4 s VAL 86 N 1.13 4.13 0.02 3.70 1.01 -1.26 0.45 120.40 129.58 1vr4 s VAL 86 Ca -0.09 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 1vr4 s VAL 86 Cb -0.12 -4.89 -0.17 0.00 0.00 0.00 0.00 36.38 31.20 1vr4 s VAL 86 CO -0.05 -1.73 1.43 0.58 0.00 0.00 0.00 175.10 175.33 1vr4 h VAL 87 N 6.24 1.27 0.00 2.92 2.07 -1.81 -3.45 116.25 123.49 1vr4 h VAL 87 Ca -0.02 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1vr4 h VAL 87 Cb 1.04 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1vr4 h VAL 87 CO 1.27 0.22 0.00 0.54 0.02 0.00 0.00 177.57 179.62 1vr4 n ARG 88 N -4.88 0.49 -4.00 1.57 1.74 -1.25 -5.07 116.66 105.26 1vr4 n ARG 88 Ca -0.07 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.76 1vr4 n ARG 88 Cb 0.19 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.46 1vr4 n ARG 88 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vr4 s ASP 89 N 0.03 1.78 0.00 0.55 1.01 -1.26 -4.60 116.67 114.18 1vr4 s ASP 89 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.04 1vr4 s ASP 89 Cb 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 42.92 43.26 1vr4 s ASP 89 CO 0.00 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1vr4 n GLY 90 N 4.72 2.86 3.57 0.21 0.00 -1.26 -5.04 105.19 110.25 1vr4 n GLY 90 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1vr4 n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1vr4 s MET 91 N -0.33 3.76 -0.16 1.61 0.00 -1.26 -4.12 119.30 118.80 1vr4 s MET 91 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 55.69 55.35 1vr4 s MET 91 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 34.83 31.06 1vr4 s MET 91 CO 0.00 -0.39 -0.00 -1.17 0.00 0.00 0.00 175.02 173.46 1vr4 s LEU 92 N 1.96 3.47 -0.12 4.11 2.96 -0.79 -2.19 118.68 128.08 1vr4 s LEU 92 Ca 0.11 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1vr4 s LEU 92 Cb -0.16 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1vr4 s LEU 92 CO 0.11 0.18 0.13 -0.32 -1.32 0.00 0.00 176.35 175.13 1vr4 s MET 93 N 0.33 3.43 -0.16 1.98 -2.45 0.17 -1.25 119.30 121.35 1vr4 s MET 93 Ca -0.01 -0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.28 1vr4 s MET 93 Cb -0.13 -3.17 0.00 0.00 1.25 0.00 0.00 34.83 32.78 1vr4 s MET 93 CO 0.02 0.76 -0.16 0.54 1.05 0.00 0.00 175.02 177.23 1vr4 s VAL 94 N -0.98 2.61 -0.09 10.11 0.11 -0.23 -0.55 120.40 131.39 1vr4 s VAL 94 Ca 0.15 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1vr4 s VAL 94 Cb -0.12 -2.10 -0.01 0.00 -1.53 0.00 0.00 36.38 32.62 1vr4 s VAL 94 CO 0.04 0.51 -0.23 0.00 -3.33 0.00 0.00 175.10 172.09 1vr4 s ALA 95 N 0.89 2.23 -0.07 1.54 0.00 0.20 -1.32 121.76 125.22 1vr4 s ALA 95 Ca -0.04 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1vr4 s ALA 95 Cb -0.15 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1vr4 s ALA 95 CO -0.01 0.34 -0.06 0.14 0.00 0.00 0.00 175.76 176.16 1vr4 s VAL 96 N 0.14 3.78 0.18 0.00 -7.23 0.59 -0.10 120.40 117.75 1vr4 s VAL 96 Ca -0.12 -0.45 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 1vr4 s VAL 96 Cb -0.16 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 1vr4 s VAL 96 CO 0.07 0.60 -0.12 -0.94 -0.31 0.00 0.00 175.10 174.39 1vr4 s SER 97 N -0.77 2.21 -0.15 4.85 1.04 -0.56 -0.61 113.70 119.70 1vr4 s SER 97 Ca 0.12 -1.01 -0.34 0.00 0.48 0.00 0.00 55.95 55.19 1vr4 s SER 97 Cb -0.11 -0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.06 1vr4 s SER 97 CO 0.02 -0.24 1.15 -0.83 0.98 0.00 0.00 173.24 174.31 1vr4 s GLY 98 N -3.24 -0.33 -0.38 7.32 0.00 -0.67 -1.23 107.32 108.80 1vr4 s GLY 98 Ca 0.20 1.48 -0.14 0.00 0.00 0.00 0.00 44.72 46.25 1vr4 s GLY 98 CO 0.04 0.49 0.29 -1.59 0.00 0.00 0.00 173.10 172.34 1vr4 s THR 99 N -2.55 5.25 -0.02 0.90 2.01 -0.05 -0.56 115.64 120.60 1vr4 s THR 99 Ca 0.09 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1vr4 s THR 99 Cb -0.01 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1vr4 s THR 99 CO -0.05 -0.18 1.45 0.00 -0.69 0.00 0.00 174.62 175.14 1vr4 s ALA 100 N 1.77 3.60 0.23 7.40 0.00 -0.36 -1.21 121.76 133.19 1vr4 s ALA 100 Ca 0.07 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1vr4 s ALA 100 Cb -0.18 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1vr4 s ALA 100 CO 0.11 -1.04 0.08 0.14 0.00 0.00 0.00 175.76 175.05 1vr4 s VAL 101 N 2.83 0.49 -0.06 0.00 -7.23 -0.15 -0.44 120.40 115.85 1vr4 s VAL 101 Ca 0.65 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1vr4 s VAL 101 Cb -0.31 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1vr4 s VAL 101 CO 0.26 -0.09 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.70 1vr4 s ARG 102 N -4.03 2.62 0.00 4.82 0.52 -0.66 -1.07 118.95 121.15 1vr4 s ARG 102 Ca 0.35 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1vr4 s ARG 102 Cb 0.07 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1vr4 s ARG 102 CO 0.12 0.59 0.31 0.44 0.02 0.00 0.00 175.30 176.78