#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvo s SER 2 N 0.00 6.99 -1.06 1.61 0.01 -1.26 -4.93 113.70 115.06 1wvo s SER 2 Ca 0.00 1.77 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 1wvo s SER 2 Cb 0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 1wvo s SER 2 CO 0.00 -0.67 2.08 -0.24 0.41 0.00 0.00 173.24 174.81 1wvo n SER 3 N 5.86 3.28 -3.43 2.44 2.88 -1.26 -4.86 113.62 118.53 1wvo n SER 3 Ca 0.12 -2.73 -0.12 0.00 -1.33 0.00 0.00 58.87 54.82 1wvo n SER 3 Cb 0.45 -1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 1wvo n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wvo s GLY 4 N 4.17 -0.61 0.09 0.46 0.00 -1.26 -4.89 107.32 105.28 1wvo s GLY 4 Ca 0.53 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1wvo s GLY 4 CO 0.03 0.15 0.00 -1.26 0.00 0.00 0.00 173.10 172.02 1wvo n SER 5 N -0.38 -0.79 -4.55 1.64 2.88 -1.26 -5.06 113.62 106.10 1wvo n SER 5 Ca -0.17 0.17 -0.39 0.00 -1.33 0.00 0.00 58.87 57.16 1wvo n SER 5 Cb 0.65 1.11 -0.03 0.00 -0.75 0.00 0.00 64.21 65.18 1wvo n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wvo s SER 6 N -1.19 5.85 0.00 -3.46 0.01 -1.26 -4.85 113.70 108.80 1wvo s SER 6 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1wvo s SER 6 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1wvo s SER 6 CO 0.00 -2.04 0.00 0.61 0.41 0.00 0.00 173.24 172.22 1wvo n GLY 7 N 5.87 -1.17 3.09 3.44 0.00 -1.26 -0.99 105.19 114.18 1wvo n GLY 7 Ca 0.17 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1wvo n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wvo s SER 8 N -4.00 0.83 0.32 1.61 0.15 -0.92 -3.51 113.70 108.19 1wvo s SER 8 Ca 0.00 -0.77 -0.27 0.00 0.70 0.00 0.00 55.95 55.61 1wvo s SER 8 Cb 0.00 0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.30 1wvo s SER 8 CO 0.00 -0.36 1.05 -0.69 1.20 0.00 0.00 173.24 174.44 1wvo s VAL 9 N -2.53 3.70 0.09 4.45 1.01 -0.59 -1.02 120.40 125.50 1wvo s VAL 9 Ca -0.01 1.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 1wvo s VAL 9 Cb -0.02 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1wvo s VAL 9 CO -0.03 0.23 0.06 0.68 0.00 0.00 0.00 175.10 176.04 1wvo s VAL 10 N -1.38 0.16 -0.10 2.92 -7.23 -0.27 -2.92 120.40 111.59 1wvo s VAL 10 Ca 0.49 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1wvo s VAL 10 Cb -0.27 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1wvo s VAL 10 CO 0.34 -0.74 1.35 0.00 -0.31 0.00 0.00 175.10 175.73 1wvo s ALA 11 N -3.95 3.61 -0.09 1.32 0.00 -0.27 -1.75 121.76 120.64 1wvo s ALA 11 Ca 0.12 0.65 0.25 0.00 0.00 0.00 0.00 51.96 52.98 1wvo s ALA 11 Cb 0.07 -3.62 0.77 0.00 0.00 0.00 0.00 23.12 20.33 1wvo s ALA 11 CO -0.06 -1.11 1.76 -0.22 0.00 0.00 0.00 175.76 176.13 1wvo h LYS 12 N 8.28 0.00 -4.12 0.00 3.64 -1.24 0.19 116.57 123.32 1wvo h LYS 12 Ca -0.32 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.91 1wvo h LYS 12 Cb 1.14 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.83 1wvo h LYS 12 CO 0.94 0.13 -0.40 0.14 -2.27 0.00 0.00 179.45 177.98 1wvo s VAL 13 N -3.43 0.03 -0.30 2.00 -7.23 -1.25 -4.71 120.40 105.50 1wvo s VAL 13 Ca 0.03 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 1wvo s VAL 13 Cb 0.08 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 1wvo s VAL 13 CO 0.63 -0.14 1.45 -0.75 -0.31 0.00 0.00 175.10 175.98 1wvo s LYS 14 N -4.05 3.78 -0.44 4.82 2.20 -1.26 -4.02 119.74 120.76 1wvo s LYS 14 Ca 0.26 1.32 -0.10 0.00 -0.36 0.00 0.00 55.97 57.09 1wvo s LYS 14 Cb 0.04 -3.97 0.08 0.00 -1.51 0.00 0.00 37.83 32.47 1wvo s LYS 14 CO 0.06 -1.31 0.30 0.42 -0.36 0.00 0.00 175.35 174.47 1wvo s ILE 15 N 4.98 4.40 0.69 5.43 1.01 0.29 -4.93 121.20 133.08 1wvo s ILE 15 Ca 0.63 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 1wvo s ILE 15 Cb -0.19 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1wvo s ILE 15 CO 0.27 -0.56 1.13 -2.16 0.00 0.00 0.00 174.94 173.62 1wvo s PRO 16 N 1.45 2.55 0.52 2.79 0.04 -1.26 -0.78 135.00 140.30 1wvo s PRO 16 Ca 0.04 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 1wvo s PRO 16 Cb -0.24 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1wvo s PRO 16 CO 0.02 -1.46 0.84 -1.91 0.04 0.00 0.00 177.00 174.53 1wvo n GLU 17 N -2.63 0.93 -0.49 4.56 0.00 -1.24 -2.65 120.64 119.12 1wvo n GLU 17 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1wvo n GLU 17 Cb 0.52 -1.95 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1wvo n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wvo n GLY 18 N 1.41 1.57 3.81 8.31 0.00 -0.65 -4.95 105.19 114.69 1wvo n GLY 18 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1wvo n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wvo s THR 19 N -3.33 4.53 -0.07 2.61 2.01 -1.08 -4.76 115.64 115.54 1wvo s THR 19 Ca 0.00 1.34 -0.23 0.00 0.31 0.00 0.00 61.69 63.11 1wvo s THR 19 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1wvo s THR 19 CO 0.00 0.18 0.68 -0.63 -0.69 0.00 0.00 174.62 174.16 1wvo s ILE 20 N -1.56 5.06 0.54 1.82 -1.09 -1.26 -1.62 121.20 123.08 1wvo s ILE 20 Ca 0.44 1.39 -0.19 0.00 -2.23 0.00 0.00 60.65 60.06 1wvo s ILE 20 Cb -0.17 -4.02 -0.06 0.00 -1.58 0.00 0.00 42.46 36.64 1wvo s ILE 20 CO 0.21 0.26 1.10 -0.76 -1.23 0.00 0.00 174.94 174.52 1wvo s LEU 21 N 0.81 3.74 0.10 2.97 1.43 0.14 -4.88 118.68 122.99 1wvo s LEU 21 Ca 0.36 2.09 -0.07 0.00 -1.03 0.00 0.00 54.13 55.48 1wvo s LEU 21 Cb -0.17 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.46 1wvo s LEU 21 CO 0.17 -1.12 0.17 0.42 0.23 0.00 0.00 176.35 176.22 1wvo s THR 22 N -1.89 0.13 0.26 5.49 -4.23 -1.26 -1.20 115.64 112.95 1wvo s THR 22 Ca 0.71 -1.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1wvo s THR 22 Cb -0.21 -1.54 0.20 0.00 1.34 0.00 0.00 72.50 72.28 1wvo s THR 22 CO 0.26 -0.60 1.87 0.24 -0.54 0.00 0.00 174.62 175.85 1wvo h MET 23 N 2.76 1.06 -0.02 3.99 2.86 -1.97 -2.34 114.93 121.27 1wvo h MET 23 Ca -0.34 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1wvo h MET 23 Cb 1.20 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1wvo h MET 23 CO 0.56 0.82 0.04 0.22 1.06 0.00 0.00 176.91 179.60 1wvo h ASP 24 N 1.06 0.00 -0.46 1.22 1.82 -2.02 -1.20 116.42 116.84 1wvo h ASP 24 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1wvo h ASP 24 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1wvo h ASP 24 CO -0.03 0.00 0.00 0.23 -1.61 0.00 0.00 179.24 177.83 1wvo n MET 25 N -3.59 2.52 -4.27 0.28 2.81 -0.89 -4.87 117.12 109.11 1wvo n MET 25 Ca -0.02 -2.24 -0.22 0.00 -1.81 0.00 0.00 57.70 53.40 1wvo n MET 25 Cb 0.12 -1.43 -0.12 0.00 -0.71 0.00 0.00 33.22 31.08 1wvo n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wvo s LEU 26 N -1.13 2.33 0.29 4.03 1.43 -0.45 -0.81 118.68 124.36 1wvo s LEU 26 Ca 0.35 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1wvo s LEU 26 Cb 0.19 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 1wvo s LEU 26 CO 0.26 0.01 0.45 0.28 0.23 0.00 0.00 176.35 177.58 1wvo s THR 27 N -1.39 0.00 -0.10 5.49 -1.32 -0.72 -4.65 115.64 112.94 1wvo s THR 27 Ca 0.07 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 1wvo s THR 27 Cb -0.09 -2.46 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 1wvo s THR 27 CO 0.04 0.00 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.67 1wvo s VAL 28 N -3.54 1.11 -0.32 5.08 1.01 -1.26 -1.11 120.40 121.37 1wvo s VAL 28 Ca 0.27 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1wvo s VAL 28 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1wvo s VAL 28 CO 0.14 0.37 0.53 -0.54 0.00 0.00 0.00 175.10 175.61 1wvo s LYS 29 N 1.39 3.77 0.27 2.72 -0.14 -0.19 -4.92 119.74 122.64 1wvo s LYS 29 Ca -0.00 0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 1wvo s LYS 29 Cb -0.13 -3.76 -0.10 0.00 -1.68 0.00 0.00 37.83 32.15 1wvo s LYS 29 CO -0.05 -0.57 1.43 0.54 -0.76 0.00 0.00 175.35 175.94 1wvo s VAL 30 N 2.42 2.62 0.00 3.17 0.11 -1.26 -2.17 120.40 125.29 1wvo s VAL 30 Ca 0.20 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1wvo s VAL 30 Cb -0.15 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1wvo s VAL 30 CO 0.12 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 1wvo n GLY 31 N 1.90 -0.65 3.16 6.54 0.00 -0.16 -4.94 105.19 111.04 1wvo n GLY 31 Ca 0.05 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 1wvo n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wvo s GLU 32 N 0.00 0.69 -1.17 1.61 1.03 -1.26 -4.39 118.70 115.21 1wvo s GLU 32 Ca 0.00 -0.82 -0.08 0.00 0.03 0.00 0.00 54.97 54.10 1wvo s GLU 32 Cb 0.00 0.28 -0.08 0.00 -0.80 0.00 0.00 34.13 33.52 1wvo s GLU 32 CO 0.00 -0.19 3.00 -0.35 -1.33 0.00 0.00 175.26 176.38 1wvo n PRO 33 N 0.45 3.43 0.00 -4.83 -0.04 -1.23 -2.91 135.00 129.87 1wvo n PRO 33 Ca -0.17 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1wvo n PRO 33 Cb 0.60 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1wvo n PRO 33 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wvo n LYS 34 N 2.88 0.93 0.00 0.54 2.85 -1.26 -4.86 118.16 119.24 1wvo n LYS 34 Ca 0.67 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.93 1wvo n LYS 34 Cb 0.39 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1wvo n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wvo n GLY 35 N 0.42 3.45 3.77 2.58 0.00 -1.26 -5.02 105.19 109.12 1wvo n GLY 35 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1wvo n GLY 35 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wvo n TYR 36 N 0.00 2.87 -2.18 1.61 4.19 -0.18 -4.82 117.16 118.65 1wvo n TYR 36 Ca 0.00 0.45 -0.39 0.00 3.31 0.00 0.00 57.90 61.27 1wvo n TYR 36 Cb 0.00 -2.50 -0.01 0.00 0.49 0.00 0.00 39.34 37.32 1wvo n TYR 36 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1wvo s PRO 37 N -2.23 4.01 0.00 2.98 0.04 -1.26 -1.54 135.00 137.00 1wvo s PRO 37 Ca 0.56 1.99 0.24 0.00 0.04 0.00 0.00 61.00 63.83 1wvo s PRO 37 Cb -0.47 -2.72 1.05 0.00 0.04 0.00 0.00 34.50 32.40 1wvo s PRO 37 CO 0.61 -0.40 1.77 -0.35 0.04 0.00 0.00 177.00 178.67 1wvo n PRO 38 N 0.11 0.08 -0.03 0.56 -0.04 -1.26 -3.12 135.00 131.30 1wvo n PRO 38 Ca 0.04 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1wvo n PRO 38 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1wvo n PRO 38 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wvo h GLU 39 N 0.00 -0.05 0.00 0.54 4.57 -1.94 -3.33 114.58 114.37 1wvo h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1wvo h GLU 39 Cb 0.37 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1wvo h GLU 39 CO 0.00 -0.02 0.00 -0.25 -1.18 0.00 0.00 179.01 177.56 1wvo n ASP 40 N -4.81 0.00 -0.34 1.04 8.00 -1.24 -4.14 116.55 115.06 1wvo n ASP 40 Ca -0.01 -0.92 0.30 0.00 0.71 0.00 0.00 54.79 54.87 1wvo n ASP 40 Cb 0.03 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 41.77 1wvo n ASP 40 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1wvo h ILE 41 N 0.00 0.42 -0.16 0.53 2.10 -1.66 -0.66 117.51 118.08 1wvo h ILE 41 Ca 0.00 -0.06 0.05 0.00 1.08 0.00 0.00 64.86 65.92 1wvo h ILE 41 Cb 0.00 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 35.95 1wvo h ILE 41 CO 0.00 0.03 0.16 -0.26 -1.08 0.00 0.00 178.15 177.00 1wvo h PHE 42 N 0.18 0.00 0.00 2.19 0.04 -1.89 -0.84 116.94 116.62 1wvo h PHE 42 Ca 0.61 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 61.23 1wvo h PHE 42 Cb 2.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.13 1wvo h PHE 42 CO -0.00 0.00 -0.74 -0.91 -0.60 0.00 0.00 178.31 176.06 1wvo h ASN 43 N 0.00 0.00 -0.11 2.17 2.35 -1.47 -3.24 115.58 115.29 1wvo h ASN 43 Ca 0.07 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 1wvo h ASN 43 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1wvo h ASN 43 CO -0.00 0.74 -0.49 -0.07 -1.65 0.00 0.00 177.43 175.96 1wvo h LEU 44 N 0.00 0.73 -8.93 1.61 3.38 -1.28 -3.42 115.31 107.40 1wvo h LEU 44 Ca -0.01 -0.37 -0.58 0.00 0.09 0.00 0.00 57.88 57.02 1wvo h LEU 44 Cb 1.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1wvo h LEU 44 CO 0.10 1.10 1.47 -0.69 0.09 0.00 0.00 178.44 180.50 1wvo s VAL 45 N -4.14 3.08 0.00 1.22 1.01 -1.15 -0.94 120.40 119.48 1wvo s VAL 45 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wvo s VAL 45 Cb 0.11 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1wvo s VAL 45 CO 0.85 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1wvo n GLY 46 N 5.73 1.75 3.81 4.51 0.00 -0.34 -4.95 105.19 115.70 1wvo n GLY 46 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1wvo n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvo s LYS 47 N -0.24 3.25 -0.16 1.61 1.02 -0.11 -4.61 119.74 120.49 1wvo s LYS 47 Ca 0.00 1.13 -0.07 0.00 0.02 0.00 0.00 55.97 57.06 1wvo s LYS 47 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1wvo s LYS 47 CO 0.00 -0.86 0.07 0.21 -0.92 0.00 0.00 175.35 173.84 1wvo s LYS 48 N -4.31 3.74 0.32 1.68 2.20 -1.26 -0.69 119.74 121.42 1wvo s LYS 48 Ca 0.62 -0.31 -0.28 0.00 -0.36 0.00 0.00 55.97 55.64 1wvo s LYS 48 Cb -0.15 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 1wvo s LYS 48 CO 0.41 0.43 1.10 0.14 -0.36 0.00 0.00 175.35 177.07 1wvo s VAL 49 N -0.06 3.47 -0.27 4.02 -7.23 -0.64 -2.29 120.40 117.40 1wvo s VAL 49 Ca 0.07 1.38 0.22 0.00 -1.81 0.00 0.00 61.98 61.84 1wvo s VAL 49 Cb -0.12 -3.84 0.07 0.00 0.56 0.00 0.00 36.38 33.04 1wvo s VAL 49 CO 0.01 0.26 1.17 -0.07 -0.31 0.00 0.00 175.10 176.15 1wvo h LEU 50 N 3.42 0.00 -8.37 1.32 3.38 -1.21 -1.73 115.31 112.12 1wvo h LEU 50 Ca -0.47 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 1wvo h LEU 50 Cb 1.21 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1wvo h LEU 50 CO 0.65 0.08 -0.54 0.68 0.09 0.00 0.00 178.44 179.40 1wvo s VAL 51 N -3.27 0.07 -0.49 1.22 -7.23 -1.26 -4.80 120.40 104.65 1wvo s VAL 51 Ca 0.01 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.12 1wvo s VAL 51 Cb 0.08 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1wvo s VAL 51 CO 0.76 -0.32 1.51 -0.89 -0.31 0.00 0.00 175.10 175.86 1wvo s THR 52 N -4.05 3.74 -0.01 5.32 2.01 -1.26 -3.63 115.64 117.76 1wvo s THR 52 Ca 0.25 0.67 -0.19 0.00 0.31 0.00 0.00 61.69 62.74 1wvo s THR 52 Cb 0.06 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1wvo s THR 52 CO 0.04 -0.91 0.54 -0.69 -0.69 0.00 0.00 174.62 172.90 1wvo s VAL 53 N 6.29 4.94 0.66 3.82 1.01 0.04 -4.89 120.40 132.27 1wvo s VAL 53 Ca 0.60 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1wvo s VAL 53 Cb -0.13 -3.87 0.10 0.00 0.00 0.00 0.00 36.38 32.47 1wvo s VAL 53 CO 0.28 0.46 0.92 -1.61 0.00 0.00 0.00 175.10 175.15 1wvo s GLU 54 N -0.41 1.99 0.24 2.72 2.02 -1.26 -0.54 118.70 123.46 1wvo s GLU 54 Ca 0.28 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1wvo s GLU 54 Cb -0.18 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 1wvo s GLU 54 CO 0.16 -1.19 1.26 -2.00 0.02 0.00 0.00 175.26 173.51 1wvo s GLU 55 N -5.00 4.44 0.00 1.61 2.12 -1.26 -2.57 118.70 118.04 1wvo s GLU 55 Ca 0.63 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.99 1wvo s GLU 55 Cb -0.07 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1wvo s GLU 55 CO 0.42 -0.13 0.00 -3.47 -0.54 0.00 0.00 175.26 171.54 1wvo n ASP 56 N 1.90 -4.65 -4.78 -1.70 2.03 0.05 -4.96 116.55 104.45 1wvo n ASP 56 Ca 0.03 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.98 1wvo n ASP 56 Cb 0.43 -2.37 -0.01 0.00 -0.72 0.00 0.00 41.12 38.45 1wvo n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wvo s ASP 57 N -2.02 6.14 -0.35 1.67 -1.08 -1.06 -4.73 116.67 115.24 1wvo s ASP 57 Ca 0.00 2.20 -0.28 0.00 -0.52 0.00 0.00 52.55 53.95 1wvo s ASP 57 Cb 0.00 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.89 1wvo s ASP 57 CO 0.00 -0.93 1.03 -0.89 0.52 0.00 0.00 175.17 174.90 1wvo s THR 58 N -1.66 4.50 -0.34 1.71 2.01 -1.26 -1.11 115.64 119.48 1wvo s THR 58 Ca 0.66 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.88 1wvo s THR 58 Cb -0.25 -4.41 -0.01 0.00 0.01 0.00 0.00 72.50 67.84 1wvo s THR 58 CO 0.30 -0.56 1.54 -0.63 -0.69 0.00 0.00 174.62 174.59 1wvo s ILE 59 N 3.69 3.77 0.13 1.82 -1.09 -1.15 -4.95 121.20 123.42 1wvo s ILE 59 Ca 0.43 0.81 0.05 0.00 -2.23 0.00 0.00 60.65 59.71 1wvo s ILE 59 Cb -0.11 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1wvo s ILE 59 CO 0.18 -0.54 0.08 -0.04 -1.23 0.00 0.00 174.94 173.39 1wvo s MET 60 N 5.00 2.77 0.56 2.79 -1.94 -1.26 -1.01 119.30 126.21 1wvo s MET 60 Ca 0.68 -0.84 0.30 0.00 -1.71 0.00 0.00 55.69 54.11 1wvo s MET 60 Cb -0.19 -2.62 1.66 0.00 2.01 0.00 0.00 34.83 35.70 1wvo s MET 60 CO 0.31 0.51 2.16 1.05 -0.01 0.00 0.00 175.02 179.04 1wvo h GLU 61 N 2.88 0.00 0.00 2.03 9.09 -1.94 -2.09 114.58 124.55 1wvo h GLU 61 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1wvo h GLU 61 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1wvo h GLU 61 CO 0.63 0.07 0.00 -0.85 0.05 0.00 0.00 179.01 178.90 1wvo n GLU 62 N -3.65 0.30 0.00 1.06 0.28 -1.26 -2.96 120.64 114.41 1wvo n GLU 62 Ca -0.02 0.07 0.12 0.00 -0.16 0.00 0.00 57.16 57.17 1wvo n GLU 62 Cb 0.17 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 31.76 1wvo n GLU 62 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wvo n LEU 63 N -1.30 1.91 -4.19 -1.84 4.77 -0.78 -4.91 117.00 110.65 1wvo n LEU 63 Ca 0.10 -0.64 -0.18 0.00 -0.03 0.00 0.00 56.01 55.26 1wvo n LEU 63 Cb 0.19 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1wvo n LEU 63 CO 0.18 0.34 -0.45 0.68 -1.33 0.00 0.00 177.39 176.80 1wvo s VAL 64 N -2.28 1.16 0.92 4.08 -7.23 -1.16 -0.64 120.40 115.25 1wvo s VAL 64 Ca 0.26 -1.43 -0.12 0.00 -1.81 0.00 0.00 61.98 58.88 1wvo s VAL 64 Cb 0.19 -1.21 0.14 0.00 0.56 0.00 0.00 36.38 36.07 1wvo s VAL 64 CO 0.45 -0.29 1.09 -0.62 -0.31 0.00 0.00 175.10 175.42 1wvo s ASP 65 N -1.96 3.29 0.07 4.85 -1.08 -0.97 -4.86 116.67 116.01 1wvo s ASP 65 Ca 0.01 1.36 -0.26 0.00 -0.52 0.00 0.00 52.55 53.14 1wvo s ASP 65 Cb -0.08 -2.04 -0.17 0.00 -1.46 0.00 0.00 42.92 39.17 1wvo s ASP 65 CO 0.02 -2.74 1.64 -1.13 0.52 0.00 0.00 175.17 173.49 1wvo h ASN 66 N -1.62 -0.26 -5.13 -0.34 -0.73 -1.93 -3.45 115.58 102.11 1wvo h ASN 66 Ca -0.51 -0.03 -0.07 0.00 1.87 0.00 0.00 56.30 57.56 1wvo h ASN 66 Cb 1.30 0.07 -0.13 0.00 0.27 0.00 0.00 38.32 39.82 1wvo h ASN 66 CO 0.56 -0.14 -0.25 -1.00 -0.37 0.00 0.00 177.43 176.22 1wvo s HIS 67 N -5.93 0.03 0.38 0.67 3.76 -1.26 -5.06 115.29 107.87 1wvo s HIS 67 Ca -0.15 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.43 1wvo s HIS 67 Cb 0.05 0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.75 1wvo s HIS 67 CO 0.64 -0.61 0.10 0.20 -0.85 0.00 0.00 174.74 174.22 1wvo s GLY 68 N -2.84 2.21 0.00 -2.22 0.00 -1.26 -4.96 107.32 98.25 1wvo s GLY 68 Ca 0.05 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.72 1wvo s GLY 68 CO -0.11 -1.91 0.18 0.58 0.00 0.00 0.00 173.10 171.84 1wvo n LYS 69 N -1.11 0.61 -1.58 2.90 -0.00 -1.26 -5.03 118.16 112.69 1wvo n LYS 69 Ca -0.03 -0.18 -0.43 0.00 -0.00 0.00 0.00 58.31 57.67 1wvo n LYS 69 Cb 0.64 -0.61 -0.03 0.00 -0.00 0.00 0.00 35.03 35.02 1wvo n LYS 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1wvo n LYS 70 N -0.14 1.82 -0.92 -1.58 4.81 -1.26 -4.95 118.16 115.94 1wvo n LYS 70 Ca 0.00 0.47 -0.30 0.00 -0.87 0.00 0.00 58.31 57.62 1wvo n LYS 70 Cb 0.09 -3.18 0.24 0.00 0.02 0.00 0.00 35.03 32.20 1wvo n LYS 70 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1wvo s ILE 71 N 8.52 1.65 0.06 3.15 -5.25 -1.26 -5.05 121.20 123.02 1wvo s ILE 71 Ca 1.02 0.00 -0.06 0.00 -0.99 0.00 0.00 60.65 60.61 1wvo s ILE 71 Cb -0.37 -2.37 -0.05 0.00 2.95 0.00 0.00 42.46 42.61 1wvo s ILE 71 CO 0.36 0.00 0.32 -0.75 -1.79 0.00 0.00 174.94 173.08 1wvo s LYS 72 N -5.16 3.63 0.00 0.37 2.20 -1.26 -5.05 119.74 114.46 1wvo s LYS 72 Ca 0.69 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1wvo s LYS 72 Cb -0.14 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1wvo s LYS 72 CO 0.58 0.58 0.04 -1.13 -0.36 0.00 0.00 175.35 175.06 1wvo n SER 73 N 0.76 0.00 -4.12 1.43 3.41 -1.26 -5.04 113.62 108.80 1wvo n SER 73 Ca -0.08 0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.53 1wvo n SER 73 Cb 0.52 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 1wvo n SER 73 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wvo s SER 74 N -1.50 0.77 0.00 4.04 0.01 -1.26 -5.18 113.70 110.58 1wvo s SER 74 Ca 0.00 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.81 1wvo s SER 74 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wvo s SER 74 CO 0.00 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1wvo n GLY 75 N -0.40 5.22 0.00 3.44 0.00 -1.26 -4.99 105.19 107.19 1wvo n GLY 75 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1wvo n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wvo n PRO 76 N 0.00 0.44 -1.92 1.61 -0.04 -1.26 -4.83 135.00 129.01 1wvo n PRO 76 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1wvo n PRO 76 Cb 0.00 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1wvo n PRO 76 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wvo s SER 77 N -1.57 6.52 0.00 3.54 1.04 -1.26 -4.72 113.70 117.25 1wvo s SER 77 Ca 0.01 2.86 0.00 0.00 0.48 0.00 0.00 55.95 59.30 1wvo s SER 77 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1wvo s SER 77 CO 0.01 -0.77 0.00 -0.24 0.98 0.00 0.00 173.24 173.22 1wvo n SER 78 N 1.32 0.00 0.00 7.02 2.88 -1.26 -5.14 113.62 118.43 1wvo n SER 78 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wvo n SER 78 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1wvo n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42