#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvo s SER 2 N 0.00 -0.73 0.43 0.00 0.15 -1.26 -1.40 113.70 110.89 2pvo s SER 2 Ca 0.00 1.05 0.08 0.00 0.70 0.00 0.00 55.95 57.77 2pvo s SER 2 Cb 0.00 1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 65.95 2pvo s SER 2 CO 0.00 -0.15 0.38 -0.31 1.20 0.00 0.00 173.24 174.36 2pvo s TYR 3 N 2.18 2.63 -0.36 3.44 2.02 -0.87 -4.94 117.35 121.44 2pvo s TYR 3 Ca -0.06 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.10 2pvo s TYR 3 Cb -0.07 -2.15 0.08 0.00 -0.40 0.00 0.00 41.96 39.42 2pvo s TYR 3 CO -0.17 -0.15 0.12 0.99 -1.57 0.00 0.00 175.55 174.77 2pvo s THR 4 N -2.50 3.22 0.00 -0.71 2.01 -1.26 -2.40 115.64 114.01 2pvo s THR 4 Ca 0.47 -1.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 2pvo s THR 4 Cb -0.03 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2pvo s THR 4 CO 0.28 -0.44 0.81 -0.69 -0.69 0.00 0.00 174.62 173.88 2pvo s VAL 5 N 1.20 4.85 -0.24 3.82 1.01 -0.58 -2.85 120.40 127.61 2pvo s VAL 5 Ca 0.03 1.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 2pvo s VAL 5 Cb -0.21 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 2pvo s VAL 5 CO -0.02 0.28 0.02 -0.54 0.00 0.00 0.00 175.10 174.83 2pvo s LYS 6 N 0.48 3.46 -0.19 2.72 1.02 0.20 -0.71 119.74 126.72 2pvo s LYS 6 Ca 0.42 -0.59 -0.07 0.00 0.02 0.00 0.00 55.97 55.75 2pvo s LYS 6 Cb -0.20 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2pvo s LYS 6 CO 0.23 -0.22 0.05 -0.51 -0.92 0.00 0.00 175.35 173.98 2pvo s LEU 7 N 1.54 3.66 -1.01 3.17 1.43 0.55 -0.58 118.68 127.43 2pvo s LEU 7 Ca 0.06 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2pvo s LEU 7 Cb -0.15 -1.93 0.26 0.00 0.03 0.00 0.00 46.19 44.40 2pvo s LEU 7 CO 0.00 0.13 0.99 -0.63 0.23 0.00 0.00 176.35 177.07 2pvo s ILE 8 N 0.65 5.85 0.50 -0.59 1.01 -0.36 -0.54 121.20 127.72 2pvo s ILE 8 Ca 0.03 -3.10 -0.21 0.00 0.00 0.00 0.00 60.65 57.37 2pvo s ILE 8 Cb -0.13 -4.55 -0.07 0.00 0.01 0.00 0.00 42.46 37.72 2pvo s ILE 8 CO 0.02 -1.13 1.11 -0.89 0.00 0.00 0.00 174.94 174.05 2pvo s THR 9 N -0.77 3.34 -1.16 2.92 2.01 -0.84 -3.06 115.64 118.09 2pvo s THR 9 Ca 0.26 0.89 0.13 0.00 0.31 0.00 0.00 61.69 63.28 2pvo s THR 9 Cb -0.10 -3.39 0.15 0.00 0.01 0.00 0.00 72.50 69.18 2pvo s THR 9 CO -0.08 -0.13 1.39 -0.81 -0.69 0.00 0.00 174.62 174.29 2pvo n PRO 10 N -0.96 0.07 -0.00 4.92 -0.04 -1.26 -1.81 135.00 135.91 2pvo n PRO 10 Ca 0.10 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2pvo n PRO 10 Cb 0.51 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 2pvo n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2pvo n ASP 11 N -1.42 0.85 0.00 3.54 9.92 -1.26 -5.07 116.55 123.11 2pvo n ASP 11 Ca 0.04 -0.85 0.00 0.00 -0.53 0.00 0.00 54.79 53.46 2pvo n ASP 11 Cb 0.13 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.76 2pvo n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pvo n GLY 12 N 1.46 -0.69 2.91 0.44 0.00 -0.75 -5.14 105.19 103.42 2pvo n GLY 12 Ca 0.03 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 2pvo n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pvo s GLU 13 N -0.95 0.40 0.03 1.61 2.12 -1.26 -1.98 118.70 118.68 2pvo s GLU 13 Ca 0.00 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.24 2pvo s GLU 13 Cb 0.00 -0.43 -0.02 0.00 0.26 0.00 0.00 34.13 33.94 2pvo s GLU 13 CO 0.00 0.03 -0.06 -1.12 -0.54 0.00 0.00 175.26 173.57 2pvo s SER 14 N 0.25 0.65 -0.16 -1.70 0.01 0.30 -4.97 113.70 108.08 2pvo s SER 14 Ca -0.02 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 2pvo s SER 14 Cb -0.06 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.25 2pvo s SER 14 CO -0.00 -0.20 -0.05 -0.44 0.41 0.00 0.00 173.24 172.96 2pvo s SER 15 N -1.36 2.70 0.22 2.44 0.01 -1.26 0.20 113.70 116.65 2pvo s SER 15 Ca -0.10 -0.60 0.10 0.00 1.31 0.00 0.00 55.95 56.66 2pvo s SER 15 Cb -0.09 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 2pvo s SER 15 CO -0.00 -0.18 -0.11 0.27 0.41 0.00 0.00 173.24 173.63 2pvo s ILE 16 N 1.66 3.02 -0.98 1.44 -4.36 0.11 -4.99 121.20 117.11 2pvo s ILE 16 Ca 0.01 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.37 2pvo s ILE 16 Cb -0.15 -2.54 0.20 0.00 1.25 0.00 0.00 42.46 41.22 2pvo s ILE 16 CO -0.08 -0.22 1.06 -0.70 0.24 0.00 0.00 174.94 175.24 2pvo s GLU 17 N -3.12 3.81 -0.21 0.37 2.12 -1.26 -1.52 118.70 118.90 2pvo s GLU 17 Ca 0.27 -2.44 -0.27 0.00 0.36 0.00 0.00 54.97 52.88 2pvo s GLU 17 Cb -0.07 -4.70 -0.00 0.00 0.26 0.00 0.00 34.13 29.61 2pvo s GLU 17 CO 0.16 -1.50 0.94 0.00 -0.54 0.00 0.00 175.26 174.32 2pvo n SER 19 N 5.87 -2.97 0.06 0.00 2.88 -1.26 -2.05 113.62 116.16 2pvo n SER 19 Ca 0.08 -0.47 -0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2pvo n SER 19 Cb 0.47 -1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 62.83 2pvo n SER 19 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2pvo h ASP 20 N -2.99 0.00 -0.67 -3.46 3.58 -1.54 -3.33 116.42 108.02 2pvo h ASP 20 Ca -0.48 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 56.68 2pvo h ASP 20 Cb 1.26 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.15 2pvo h ASP 20 CO 0.34 0.62 0.27 -0.90 -2.88 0.00 0.00 179.24 176.69 2pvo n ASP 21 N -3.04 3.71 -4.16 2.28 5.75 -1.26 -4.48 116.55 115.35 2pvo n ASP 21 Ca -0.06 -3.49 -0.23 0.00 -0.01 0.00 0.00 54.79 51.01 2pvo n ASP 21 Cb 0.83 -0.73 -0.14 0.00 -1.03 0.00 0.00 41.12 40.05 2pvo n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pvo s THR 22 N -3.15 1.28 0.48 2.12 2.01 -1.25 -5.13 115.64 112.00 2pvo s THR 22 Ca 0.52 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 61.41 2pvo s THR 22 Cb 0.43 -1.11 -0.08 0.00 0.01 0.00 0.00 72.50 71.76 2pvo s THR 22 CO 0.08 0.20 1.09 -0.31 -0.69 0.00 0.00 174.62 174.99 2pvo s TYR 23 N -0.63 2.92 0.19 4.92 1.51 -1.26 -4.25 117.35 120.75 2pvo s TYR 23 Ca 0.05 1.57 -0.12 0.00 -1.01 0.00 0.00 57.07 57.56 2pvo s TYR 23 Cb -0.07 -3.21 0.15 0.00 -0.11 0.00 0.00 41.96 38.72 2pvo s TYR 23 CO 0.01 -1.15 1.80 0.82 -1.11 0.00 0.00 175.55 175.91 2pvo h ILE 24 N 1.63 0.99 -0.45 2.71 1.08 -1.27 0.36 117.51 122.56 2pvo h ILE 24 Ca -0.49 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 2pvo h ILE 24 Cb 1.24 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2pvo h ILE 24 CO 0.59 0.11 0.17 0.25 -0.69 0.00 0.00 178.15 178.58 2pvo h LEU 25 N 0.59 0.64 -1.07 1.44 5.85 -1.14 0.43 115.31 122.06 2pvo h LEU 25 Ca 0.24 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2pvo h LEU 25 Cb 0.11 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2pvo h LEU 25 CO -0.14 0.65 -0.38 0.44 -0.34 0.00 0.00 178.44 178.67 2pvo h ASP 26 N 0.59 0.00 -0.04 1.25 5.19 -1.71 -1.84 116.42 119.85 2pvo h ASP 26 Ca 0.15 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 2pvo h ASP 26 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2pvo h ASP 26 CO -0.01 0.38 -0.18 0.00 -3.12 0.00 0.00 179.24 176.31 2pvo h ALA 27 N 1.62 0.08 -0.98 3.45 0.00 0.26 -3.14 119.26 120.54 2pvo h ALA 27 Ca -0.00 -0.39 0.12 0.00 0.00 0.00 0.00 54.91 54.63 2pvo h ALA 27 Cb 0.82 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 2pvo h ALA 27 CO 0.05 0.03 0.62 0.00 0.00 0.00 0.00 179.25 179.96 2pvo h ALA 28 N 0.40 1.56 0.00 0.00 0.00 0.06 -2.04 119.26 119.23 2pvo h ALA 28 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2pvo h ALA 28 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2pvo h ALA 28 CO 0.04 0.21 -0.28 0.93 0.00 0.00 0.00 179.25 180.14 2pvo h GLU 29 N 0.97 0.00 0.00 0.00 5.08 -1.34 -2.36 114.58 116.94 2pvo h GLU 29 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2pvo h GLU 29 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2pvo h GLU 29 CO -0.24 0.28 0.00 0.93 -1.00 0.00 0.00 179.01 178.98 2pvo h GLU 30 N 0.00 0.00 -0.39 2.33 5.08 -1.32 -2.16 114.58 118.12 2pvo h GLU 30 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pvo h GLU 30 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pvo h GLU 30 CO 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 2pvo n ALA 31 N -1.87 2.38 -0.62 3.43 0.00 -1.00 -4.96 120.51 117.88 2pvo n ALA 31 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2pvo n ALA 31 Cb 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2pvo n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvo n GLY 32 N 1.27 0.66 3.71 0.00 0.00 -0.81 -5.04 105.19 104.98 2pvo n GLY 32 Ca 0.17 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2pvo n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pvo s LEU 33 N 0.00 4.37 -1.12 0.99 1.02 -0.92 -4.97 118.68 118.04 2pvo s LEU 33 Ca 0.00 1.62 -0.04 0.00 0.02 0.00 0.00 54.13 55.73 2pvo s LEU 33 Cb 0.00 -3.53 0.27 0.00 0.02 0.00 0.00 46.19 42.95 2pvo s LEU 33 CO 0.00 -0.25 1.78 1.21 0.02 0.00 0.00 176.35 179.11 2pvo n GLU 34 N 3.89 4.71 -2.84 1.70 0.00 -1.26 -4.20 120.64 122.64 2pvo n GLU 34 Ca 0.05 -4.31 -0.40 0.00 0.00 0.00 0.00 57.16 52.51 2pvo n GLU 34 Cb 0.51 -2.57 -0.06 0.00 0.00 0.00 0.00 31.44 29.32 2pvo n GLU 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2pvo s LEU 35 N -2.87 4.62 1.01 4.31 1.43 -1.26 -5.04 118.68 120.87 2pvo s LEU 35 Ca 0.38 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 2pvo s LEU 35 Cb 0.12 -3.48 0.14 0.00 0.03 0.00 0.00 46.19 43.00 2pvo s LEU 35 CO -0.01 0.17 0.78 -0.81 0.23 0.00 0.00 176.35 176.71 2pvo n PRO 36 N 1.61 -0.98 0.00 1.29 -0.04 -1.26 -5.07 135.00 130.56 2pvo n PRO 36 Ca -0.03 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 2pvo n PRO 36 Cb 0.48 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2pvo n PRO 36 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2pvo n TYR 37 N -4.26 0.00 0.01 0.54 0.18 -1.26 -4.22 117.16 108.15 2pvo n TYR 37 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 2pvo n TYR 37 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2pvo n TYR 37 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2pvo n SER 38 N 0.00 0.00 0.01 9.48 2.88 -1.26 -4.86 113.62 119.87 2pvo n SER 38 Ca 0.00 0.03 -0.18 0.00 -1.33 0.00 0.00 58.87 57.39 2pvo n SER 38 Cb 0.00 0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.34 2pvo n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pvo n ARG 40 N -3.39 -7.55 -0.92 0.00 1.74 -1.26 -4.87 116.66 100.40 2pvo n ARG 40 Ca -0.26 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2pvo n ARG 40 Cb 1.05 -5.75 -0.00 0.00 -1.02 0.00 0.00 32.46 26.74 2pvo n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pvo n ALA 41 N -4.83 2.37 -3.84 7.54 0.00 -1.26 -4.91 120.51 115.57 2pvo n ALA 41 Ca -0.02 -1.29 -0.33 0.00 0.00 0.00 0.00 53.44 51.81 2pvo n ALA 41 Cb 0.57 -0.49 0.02 0.00 0.00 0.00 0.00 19.45 19.55 2pvo n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvo n GLY 42 N 0.18 -0.74 0.00 0.00 0.00 -1.26 -4.76 105.19 98.60 2pvo n GLY 42 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2pvo n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pvo n ALA 43 N -4.42 0.66 -3.98 4.61 0.00 -1.26 -0.84 120.51 115.28 2pvo n ALA 43 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 2pvo n ALA 43 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 2pvo n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pvo n SER 45 N -1.11 1.64 -0.07 0.00 3.41 -1.26 -4.81 113.62 111.43 2pvo n SER 45 Ca -0.01 -3.43 -0.07 0.00 -0.26 0.00 0.00 58.87 55.11 2pvo n SER 45 Cb 0.03 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 2pvo n SER 45 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2pvo h THR 46 N 1.96 0.47 0.00 6.66 2.02 -1.96 -3.31 112.91 118.76 2pvo h THR 46 Ca -0.03 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.73 2pvo h THR 46 Cb 1.15 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2pvo h THR 46 CO 0.02 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.07 2pvo n ALA 48 N -1.49 -3.44 -4.09 0.00 0.00 -1.25 -3.76 120.51 106.48 2pvo n ALA 48 Ca 0.01 0.56 -0.20 0.00 0.00 0.00 0.00 53.44 53.80 2pvo n ALA 48 Cb 0.04 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 2pvo n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvo n GLY 49 N 1.53 3.01 3.10 0.00 0.00 -0.35 -2.47 105.19 110.01 2pvo n GLY 49 Ca 0.19 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 2pvo n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pvo s LYS 50 N -3.17 0.74 -0.30 1.61 2.20 0.16 -1.91 119.74 119.08 2pvo s LYS 50 Ca 0.35 -0.69 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 2pvo s LYS 50 Cb 0.02 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.63 2pvo s LYS 50 CO 0.25 0.16 0.37 0.42 -0.36 0.00 0.00 175.35 176.19 2pvo s ILE 51 N -0.92 5.17 -0.07 5.43 1.01 -0.35 0.13 121.20 131.60 2pvo s ILE 51 Ca -0.02 0.39 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2pvo s ILE 51 Cb -0.08 -3.74 -0.24 0.00 0.01 0.00 0.00 42.46 38.41 2pvo s ILE 51 CO 0.01 0.07 0.55 0.41 0.00 0.00 0.00 174.94 175.98 2pvo n THR 52 N 5.17 1.69 -3.64 2.92 -1.04 -0.06 -4.93 114.28 114.39 2pvo n THR 52 Ca -0.09 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.05 61.10 2pvo n THR 52 Cb 0.50 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.60 2pvo n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pvo s ALA 53 N -2.58 -1.98 0.00 2.41 0.00 -1.21 -4.99 121.76 113.41 2pvo s ALA 53 Ca -0.12 2.01 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2pvo s ALA 53 Cb 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2pvo s ALA 53 CO 0.80 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2pvo n GLY 54 N 2.72 0.37 2.89 0.00 0.00 -1.26 0.03 105.19 109.94 2pvo n GLY 54 Ca -0.14 -2.31 -0.20 0.00 0.00 0.00 0.00 46.02 43.37 2pvo n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pvo s SER 55 N -2.16 0.96 0.15 1.61 1.04 -1.26 -5.00 113.70 109.04 2pvo s SER 55 Ca 0.00 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.32 2pvo s SER 55 Cb 0.00 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.69 2pvo s SER 55 CO 0.00 -0.06 0.12 1.33 0.98 0.00 0.00 173.24 175.62 2pvo n VAL 56 N 4.08 0.00 -2.94 5.02 0.24 -1.26 -0.37 118.33 123.10 2pvo n VAL 56 Ca -0.24 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.36 2pvo n VAL 56 Cb 0.51 -0.45 0.03 0.00 -1.47 0.00 0.00 33.84 32.46 2pvo n VAL 56 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2pvo n ASP 57 N -2.10 -0.63 -3.41 -1.34 2.03 0.17 -4.62 116.55 106.66 2pvo n ASP 57 Ca 0.00 -3.26 -0.40 0.00 0.52 0.00 0.00 54.79 51.66 2pvo n ASP 57 Cb 0.16 0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 41.10 2pvo n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pvo n GLN 58 N 0.25 3.87 0.17 -0.67 10.64 -1.26 -3.07 117.38 127.31 2pvo n GLN 58 Ca 0.14 -2.61 0.12 0.00 -1.83 0.00 0.00 57.00 52.83 2pvo n GLN 58 Cb 0.70 -2.80 0.26 0.00 -0.86 0.00 0.00 30.24 27.54 2pvo n GLN 58 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2pvo h SER 59 N 5.00 0.00 0.26 2.61 4.64 -1.94 -3.16 113.55 120.96 2pvo h SER 59 Ca 0.79 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.11 2pvo h SER 59 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2pvo h SER 59 CO 1.71 0.00 -0.21 0.47 -0.87 0.00 0.00 176.83 177.94 2pvo n ASP 60 N -2.75 0.90 -4.69 4.97 9.92 -1.26 -4.90 116.55 118.73 2pvo n ASP 60 Ca 0.05 -0.83 -0.30 0.00 -0.53 0.00 0.00 54.79 53.17 2pvo n ASP 60 Cb 0.49 0.07 0.15 0.00 -0.64 0.00 0.00 41.12 41.19 2pvo n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pvo s GLN 61 N -2.47 1.17 0.00 -1.24 1.03 -1.20 -4.67 119.66 112.28 2pvo s GLN 61 Ca 0.26 1.16 0.00 0.00 0.04 0.00 0.00 55.36 56.82 2pvo s GLN 61 Cb 0.19 -1.77 0.00 0.00 0.03 0.00 0.00 33.01 31.46 2pvo s GLN 61 CO 0.50 -2.40 0.00 -1.13 -2.54 0.00 0.00 175.29 169.72 2pvo n SER 62 N -4.04 0.00 -0.01 12.60 3.41 -0.02 -4.96 113.62 120.60 2pvo n SER 62 Ca 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.64 2pvo n SER 62 Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 2pvo n SER 62 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2pvo n PHE 63 N 0.00 0.83 -2.91 7.33 7.35 -1.21 -4.86 117.46 123.99 2pvo n PHE 63 Ca 0.00 0.29 -0.41 0.00 -0.76 0.00 0.00 57.45 56.57 2pvo n PHE 63 Cb 0.00 -1.11 -0.04 0.00 0.35 0.00 0.00 39.48 38.68 2pvo n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2pvo s LEU 64 N -5.86 4.12 0.00 -2.13 1.43 -1.26 -5.03 118.68 109.95 2pvo s LEU 64 Ca -0.05 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 2pvo s LEU 64 Cb 0.08 -3.17 0.16 0.00 0.03 0.00 0.00 46.19 43.29 2pvo s LEU 64 CO 0.82 -0.45 0.46 -0.90 0.23 0.00 0.00 176.35 176.51 2pvo n ASP 65 N 5.61 -2.32 0.01 2.29 5.68 -1.26 -4.77 116.55 121.78 2pvo n ASP 65 Ca 0.04 -0.60 -0.10 0.00 -0.50 0.00 0.00 54.79 53.64 2pvo n ASP 65 Cb 0.48 -0.47 0.05 0.00 -1.14 0.00 0.00 41.12 40.04 2pvo n ASP 65 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2pvo h ASP 66 N -2.33 0.62 0.45 -1.12 3.32 -2.00 -2.97 116.42 112.40 2pvo h ASP 66 Ca -0.19 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 2pvo h ASP 66 Cb 0.61 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2pvo h ASP 66 CO 0.12 1.06 -0.42 0.44 -1.72 0.00 0.00 179.24 178.72 2pvo h ASP 67 N 0.42 0.00 0.47 6.45 3.32 -1.99 -1.91 116.42 123.18 2pvo h ASP 67 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2pvo h ASP 67 Cb 1.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 2pvo h ASP 67 CO 0.11 0.42 -0.92 1.56 -1.72 0.00 0.00 179.24 178.69 2pvo h GLN 68 N 0.00 0.30 -0.05 3.56 4.20 -1.88 -2.03 115.11 119.21 2pvo h GLN 68 Ca -0.00 -0.33 -0.22 0.00 0.06 0.00 0.00 58.65 58.15 2pvo h GLN 68 Cb 0.76 0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.65 2pvo h GLN 68 CO 0.05 1.04 -0.84 0.82 -0.67 0.00 0.00 178.83 179.23 2pvo h ILE 69 N 0.17 1.31 -0.24 2.54 2.04 -1.41 -2.64 117.51 119.28 2pvo h ILE 69 Ca -0.06 -2.10 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 2pvo h ILE 69 Cb 1.56 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 2pvo h ILE 69 CO 0.15 0.65 0.01 -0.33 0.00 0.00 0.00 178.15 178.63 2pvo h GLU 70 N 0.32 0.35 0.00 2.37 5.08 -1.40 0.77 114.58 122.07 2pvo h GLU 70 Ca -0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2pvo h GLU 70 Cb 1.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2pvo h GLU 70 CO 0.17 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.55 2pvo n ALA 71 N -2.49 1.77 -0.11 3.43 0.00 -0.76 -4.86 120.51 117.49 2pvo n ALA 71 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2pvo n ALA 71 Cb 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2pvo n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvo n GLY 72 N -0.12 0.74 0.77 0.00 0.00 0.26 -4.99 105.19 101.85 2pvo n GLY 72 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2pvo n GLY 72 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pvo n TYR 73 N -2.05 -3.61 -3.65 1.61 4.02 -1.01 -1.21 117.16 111.27 2pvo n TYR 73 Ca 0.00 -0.23 -0.02 0.00 -0.01 0.00 0.00 57.90 57.64 2pvo n TYR 73 Cb 0.00 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.07 2pvo n TYR 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2pvo s VAL 74 N -1.51 0.00 -0.39 -0.72 0.11 -0.80 -4.66 120.40 112.43 2pvo s VAL 74 Ca 0.15 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 2pvo s VAL 74 Cb -0.01 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.94 2pvo s VAL 74 CO 0.11 0.00 0.17 -0.76 -3.33 0.00 0.00 175.10 171.29 2pvo s LEU 75 N -1.69 5.06 0.56 2.54 1.43 -1.26 -1.22 118.68 124.11 2pvo s LEU 75 Ca 0.11 -1.96 0.29 0.00 -1.03 0.00 0.00 54.13 51.54 2pvo s LEU 75 Cb -0.01 -1.80 1.59 0.00 0.03 0.00 0.00 46.19 46.01 2pvo s LEU 75 CO -0.04 -0.50 1.88 0.71 0.23 0.00 0.00 176.35 178.63 2pvo h THR 76 N 6.40 0.00 0.00 5.49 1.35 -1.92 0.24 112.91 124.47 2pvo h THR 76 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2pvo h THR 76 Cb 1.05 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2pvo h THR 76 CO 0.66 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.93 2pvo n VAL 78 N -2.02 0.00 -2.38 0.00 0.24 -0.36 -4.77 118.33 109.03 2pvo n VAL 78 Ca 0.06 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 2pvo n VAL 78 Cb 0.40 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 2pvo n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pvo s ALA 79 N -0.46 3.43 0.03 2.33 0.00 0.71 -4.38 121.76 123.42 2pvo s ALA 79 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2pvo s ALA 79 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2pvo s ALA 79 CO 0.00 -0.41 -0.02 0.71 0.00 0.00 0.00 175.76 176.04 2pvo s TYR 80 N 0.57 2.99 0.06 0.00 1.51 -1.17 -1.41 117.35 119.89 2pvo s TYR 80 Ca 0.57 0.01 -0.24 0.00 -1.01 0.00 0.00 57.07 56.39 2pvo s TYR 80 Cb -0.31 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 39.87 2pvo s TYR 80 CO 0.32 0.44 0.74 -1.25 -1.11 0.00 0.00 175.55 174.70 2pvo s PRO 81 N -1.78 4.48 -0.01 -1.71 0.04 -1.26 0.46 135.00 135.22 2pvo s PRO 81 Ca 0.21 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2pvo s PRO 81 Cb -0.11 -3.34 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 2pvo s PRO 81 CO 0.12 0.35 0.17 2.41 0.04 0.00 0.00 177.00 180.10 2pvo n THR 82 N 2.56 0.00 -3.67 1.26 -1.04 0.50 -4.78 114.28 109.11 2pvo n THR 82 Ca -0.04 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.05 61.72 2pvo n THR 82 Cb 0.50 0.45 -0.00 0.00 -1.82 0.00 0.00 70.33 69.45 2pvo n THR 82 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2pvo n SER 83 N -1.65 -1.02 -4.78 8.00 3.41 -1.08 -4.95 113.62 111.55 2pvo n SER 83 Ca -0.01 -2.01 -0.34 0.00 -0.26 0.00 0.00 58.87 56.25 2pvo n SER 83 Cb 0.17 1.79 0.01 0.00 -0.26 0.00 0.00 64.21 65.91 2pvo n SER 83 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pvo s ASP 84 N -2.22 5.69 0.12 4.04 1.01 -1.26 -4.56 116.67 119.49 2pvo s ASP 84 Ca 0.13 2.09 -0.26 0.00 0.71 0.00 0.00 52.55 55.23 2pvo s ASP 84 Cb -0.02 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.42 2pvo s ASP 84 CO 0.10 -1.24 0.91 0.00 0.21 0.00 0.00 175.17 175.15 2pvo s THR 86 N -3.31 1.05 -0.08 0.00 2.01 0.10 0.59 115.64 116.01 2pvo s THR 86 Ca 0.10 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2pvo s THR 86 Cb -0.02 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2pvo s THR 86 CO -0.01 0.13 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.23 2pvo s ILE 87 N 1.66 2.67 -0.18 1.82 1.01 0.25 -0.88 121.20 127.55 2pvo s ILE 87 Ca 0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 2pvo s ILE 87 Cb -0.15 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2pvo s ILE 87 CO -0.08 0.56 0.47 -1.61 0.00 0.00 0.00 174.94 174.29 2pvo s GLU 88 N -0.21 4.22 0.55 2.79 2.02 0.36 -1.22 118.70 127.20 2pvo s GLU 88 Ca -0.01 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.32 2pvo s GLU 88 Cb -0.13 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.59 2pvo s GLU 88 CO 0.03 -0.04 0.81 0.95 0.02 0.00 0.00 175.26 177.03 2pvo s THR 89 N 1.30 3.33 -1.65 3.63 -4.23 -1.17 0.41 115.64 117.25 2pvo s THR 89 Ca 0.23 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2pvo s THR 89 Cb -0.15 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2pvo s THR 89 CO 0.09 -0.24 0.00 1.41 -0.54 0.00 0.00 174.62 175.34 2pvo n HIS 90 N -2.41 0.00 -1.52 3.99 8.25 -1.23 -4.69 115.22 117.61 2pvo n HIS 90 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 2pvo n HIS 90 Cb 0.59 -2.77 -0.05 0.00 1.12 0.00 0.00 29.99 28.87 2pvo n HIS 90 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pvo n LYS 91 N -2.40 3.45 -0.06 -0.41 4.76 -1.03 -4.12 118.16 118.34 2pvo n LYS 91 Ca -0.16 -2.44 -0.11 0.00 -2.87 0.00 0.00 58.31 52.74 2pvo n LYS 91 Cb 0.53 -2.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.20 2pvo n LYS 91 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2pvo n GLU 92 N 2.24 0.28 0.17 1.97 2.13 -1.26 -4.46 120.64 121.72 2pvo n GLU 92 Ca 0.61 0.10 0.01 0.00 0.66 0.00 0.00 57.16 58.54 2pvo n GLU 92 Cb 0.42 -1.09 0.05 0.00 0.27 0.00 0.00 31.44 31.10 2pvo n GLU 92 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2pvo h GLU 93 N -0.25 0.00 -0.46 5.31 4.39 -1.93 0.42 114.58 122.05 2pvo h GLU 93 Ca -0.30 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.15 2pvo h GLU 93 Cb 1.34 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.64 2pvo h GLU 93 CO -0.13 0.00 -0.97 -0.40 -1.16 0.00 0.00 179.01 176.35 2pvo n ASP 94 N -1.83 0.92 -0.01 1.42 3.85 -1.26 -4.84 116.55 114.80 2pvo n ASP 94 Ca -0.00 -2.22 0.09 0.00 -0.71 0.00 0.00 54.79 51.95 2pvo n ASP 94 Cb 0.70 -0.24 -0.15 0.00 -1.35 0.00 0.00 41.12 40.08 2pvo n ASP 94 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2pvo n LEU 95 N -0.63 0.00 -0.68 -2.12 7.94 0.15 -5.14 117.00 116.52 2pvo n LEU 95 Ca 0.03 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.06 2pvo n LEU 95 Cb 0.82 0.02 0.35 0.00 0.53 0.00 0.00 43.42 45.13 2pvo n LEU 95 CO 0.07 0.02 0.77 -1.22 -1.11 0.00 0.00 177.39 175.92