#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvo n SER 2 N 0.00 -2.34 -4.72 1.61 2.88 -1.26 -4.98 113.62 104.81 1wvo n SER 2 Ca 0.00 -1.03 -0.42 0.00 -1.33 0.00 0.00 58.87 56.09 1wvo n SER 2 Cb 0.00 -0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 62.55 1wvo n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wvo s SER 3 N -3.89 6.93 0.03 -3.46 0.15 -1.26 -5.04 113.70 107.16 1wvo s SER 3 Ca 0.62 2.26 0.01 0.00 0.70 0.00 0.00 55.95 59.54 1wvo s SER 3 Cb -0.07 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1wvo s SER 3 CO 0.48 -0.55 -0.05 -0.83 1.20 0.00 0.00 173.24 173.49 1wvo s GLY 4 N 0.84 0.35 0.00 9.45 0.00 -1.26 -5.06 107.32 111.63 1wvo s GLY 4 Ca 0.60 -0.63 0.15 0.00 0.00 0.00 0.00 44.72 44.84 1wvo s GLY 4 CO 0.32 -0.69 0.75 -1.14 0.00 0.00 0.00 173.10 172.34 1wvo n SER 5 N 1.64 1.28 0.02 1.64 3.41 -1.26 -4.62 113.62 115.73 1wvo n SER 5 Ca -0.23 -1.14 0.05 0.00 -0.26 0.00 0.00 58.87 57.30 1wvo n SER 5 Cb 0.55 0.63 0.23 0.00 -0.26 0.00 0.00 64.21 65.36 1wvo n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wvo n SER 6 N -0.50 0.07 -1.35 4.04 2.88 -1.26 -4.69 113.62 112.81 1wvo n SER 6 Ca 0.05 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1wvo n SER 6 Cb 0.28 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1wvo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wvo n GLY 7 N -0.55 0.73 3.18 0.46 0.00 -1.26 -3.09 105.19 104.66 1wvo n GLY 7 Ca 0.02 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.00 0.82 0.20 1.61 0.15 -1.13 -3.50 113.70 110.84 1wvo s SER 8 Ca 0.00 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 55.23 1wvo s SER 8 Cb 0.00 0.18 -0.08 0.00 -1.71 0.00 0.00 66.02 64.41 1wvo s SER 8 CO 0.00 -0.60 1.14 -0.69 1.20 0.00 0.00 173.24 174.29 1wvo s VAL 9 N -3.81 3.67 0.15 4.45 1.01 -0.96 -2.44 120.40 122.47 1wvo s VAL 9 Ca 0.19 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.68 1wvo s VAL 9 Cb 0.07 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1wvo s VAL 9 CO -0.01 0.26 -0.12 0.68 0.00 0.00 0.00 175.10 175.92 1wvo s VAL 10 N -0.32 1.29 -0.46 2.92 -7.23 0.18 -3.13 120.40 113.65 1wvo s VAL 10 Ca 0.50 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 1wvo s VAL 10 Cb -0.31 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 1wvo s VAL 10 CO 0.37 -0.66 1.57 0.00 -0.31 0.00 0.00 175.10 176.07 1wvo s ALA 11 N -3.03 2.81 0.61 1.32 0.00 0.18 -2.17 121.76 121.48 1wvo s ALA 11 Ca 0.16 -0.27 0.33 0.00 0.00 0.00 0.00 51.96 52.18 1wvo s ALA 11 Cb 0.01 -4.06 1.95 0.00 0.00 0.00 0.00 23.12 21.02 1wvo s ALA 11 CO 0.02 -2.81 2.27 -0.22 0.00 0.00 0.00 175.76 175.02 1wvo h LYS 12 N 11.92 0.00 -4.11 0.00 3.64 -1.27 0.11 116.57 126.86 1wvo h LYS 12 Ca -0.29 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 1wvo h LYS 12 Cb 1.12 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.82 1wvo h LYS 12 CO 1.12 0.00 -0.37 0.14 -2.27 0.00 0.00 179.45 178.06 1wvo s VAL 13 N -4.52 0.01 0.04 2.00 -7.23 -1.26 -4.60 120.40 104.84 1wvo s VAL 13 Ca -0.05 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 1wvo s VAL 13 Cb 0.15 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 1wvo s VAL 13 CO 0.51 -0.03 1.28 -0.75 -0.31 0.00 0.00 175.10 175.80 1wvo s LYS 14 N -4.08 4.37 -0.20 4.82 2.20 -1.26 -4.06 119.74 121.52 1wvo s LYS 14 Ca 0.30 1.85 0.01 0.00 -0.36 0.00 0.00 55.97 57.77 1wvo s LYS 14 Cb 0.03 -3.40 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1wvo s LYS 14 CO 0.09 -0.38 -0.13 0.42 -0.36 0.00 0.00 175.35 175.00 1wvo s ILE 15 N 1.51 1.82 0.62 5.43 1.01 0.05 -4.89 121.20 126.75 1wvo s ILE 15 Ca 0.60 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1wvo s ILE 15 Cb -0.31 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1wvo s ILE 15 CO 0.28 0.23 1.10 -2.16 0.00 0.00 0.00 174.94 174.39 1wvo s PRO 16 N 1.33 3.01 0.59 2.79 0.04 -1.26 -0.54 135.00 140.96 1wvo s PRO 16 Ca -0.01 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 1wvo s PRO 16 Cb -0.16 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1wvo s PRO 16 CO -0.09 -1.08 0.91 -1.91 0.04 0.00 0.00 177.00 174.87 1wvo n GLU 17 N -2.12 0.87 -0.70 4.56 2.13 -1.25 -2.84 120.64 121.28 1wvo n GLU 17 Ca 0.10 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1wvo n GLU 17 Cb 0.52 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1wvo n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wvo n GLY 18 N 1.35 1.40 3.79 8.31 0.00 -0.65 -4.95 105.19 114.43 1wvo n GLY 18 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.47 4.30 -0.12 2.61 2.01 -1.13 -4.74 115.64 115.09 1wvo s THR 19 Ca 0.00 1.71 -0.25 0.00 0.31 0.00 0.00 61.69 63.45 1wvo s THR 19 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1wvo s THR 19 CO 0.00 0.22 0.82 -0.63 -0.69 0.00 0.00 174.62 174.34 1wvo s ILE 20 N -1.51 4.92 0.45 1.82 -1.09 -1.26 -2.00 121.20 122.53 1wvo s ILE 20 Ca 0.46 1.64 -0.24 0.00 -2.23 0.00 0.00 60.65 60.28 1wvo s ILE 20 Cb -0.19 -4.13 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 1wvo s ILE 20 CO 0.24 0.10 1.26 -0.76 -1.23 0.00 0.00 174.94 174.55 1wvo s LEU 21 N 1.68 4.07 0.15 2.97 1.43 0.05 -4.88 118.68 124.13 1wvo s LEU 21 Ca 0.40 2.53 -0.01 0.00 -1.03 0.00 0.00 54.13 56.03 1wvo s LEU 21 Cb -0.17 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 41.90 1wvo s LEU 21 CO 0.16 -1.01 0.06 0.42 0.23 0.00 0.00 176.35 176.20 1wvo s THR 22 N -1.38 0.16 -1.02 5.49 -4.23 -1.26 -1.06 115.64 112.35 1wvo s THR 22 Ca 0.62 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.31 1wvo s THR 22 Cb -0.35 -2.12 0.09 0.00 1.34 0.00 0.00 72.50 71.46 1wvo s THR 22 CO 0.43 -0.40 1.33 0.23 -0.54 0.00 0.00 174.62 175.66 1wvo n MET 23 N -0.14 0.01 0.00 3.99 2.81 -1.26 -1.70 117.12 120.82 1wvo n MET 23 Ca -0.05 0.32 0.14 0.00 -1.81 0.00 0.00 57.70 56.30 1wvo n MET 23 Cb 0.64 -1.50 0.50 0.00 -0.71 0.00 0.00 33.22 32.14 1wvo n MET 23 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1wvo n ASP 24 N -1.49 1.08 0.00 7.83 8.00 -1.26 -3.79 116.55 126.92 1wvo n ASP 24 Ca 0.03 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1wvo n ASP 24 Cb 0.12 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1wvo n ASP 24 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1wvo n MET 25 N -0.40 0.69 -4.09 -1.24 2.81 -0.69 -4.79 117.12 109.40 1wvo n MET 25 Ca 0.16 -0.79 -0.14 0.00 -1.81 0.00 0.00 57.70 55.12 1wvo n MET 25 Cb 0.33 -0.87 -0.12 0.00 -0.71 0.00 0.00 33.22 31.84 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 -0.36 2.19 0.37 4.03 1.43 -1.14 -0.83 118.68 124.38 1wvo s LEU 26 Ca 0.00 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1wvo s LEU 26 Cb 0.00 -0.21 0.05 0.00 0.03 0.00 0.00 46.19 46.06 1wvo s LEU 26 CO 0.00 -0.13 0.77 0.28 0.23 0.00 0.00 176.35 177.50 1wvo s THR 27 N -1.04 0.00 -0.05 5.49 -1.32 -0.92 -4.71 115.64 113.08 1wvo s THR 27 Ca -0.07 -1.03 0.03 0.00 -1.21 0.00 0.00 61.69 59.42 1wvo s THR 27 Cb -0.08 -2.79 0.01 0.00 -1.51 0.00 0.00 72.50 68.13 1wvo s THR 27 CO 0.00 0.00 -0.14 0.54 -2.21 0.00 0.00 174.62 172.82 1wvo s VAL 28 N -2.49 1.21 0.23 5.08 0.11 -1.26 -0.65 120.40 122.63 1wvo s VAL 28 Ca 0.16 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1wvo s VAL 28 Cb -0.05 -1.07 0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1wvo s VAL 28 CO 0.11 0.36 0.32 0.29 -3.33 0.00 0.00 175.10 172.86 1wvo n LYS 29 N 3.48 0.33 -3.88 1.54 4.76 -1.02 -4.96 118.16 118.41 1wvo n LYS 29 Ca -0.20 -0.84 -0.30 0.00 -2.87 0.00 0.00 58.31 54.10 1wvo n LYS 29 Cb 0.53 -0.22 -0.15 0.00 -1.84 0.00 0.00 35.03 33.35 1wvo n LYS 29 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wvo s VAL 30 N -0.88 1.80 0.00 -0.18 0.11 -1.26 -4.04 120.40 115.95 1wvo s VAL 30 Ca 0.21 -2.27 0.00 0.00 -2.93 0.00 0.00 61.98 56.99 1wvo s VAL 30 Cb -0.01 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1wvo s VAL 30 CO 0.14 -0.70 0.00 0.61 -3.33 0.00 0.00 175.10 171.82 1wvo n GLY 31 N 4.12 -0.96 3.40 6.54 0.00 -1.26 -4.95 105.19 112.07 1wvo n GLY 31 Ca 0.03 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 1.22 0.00 1.61 -1.05 -1.18 -4.65 118.70 114.65 1wvo s GLU 32 Ca 0.00 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1wvo s GLU 32 Cb 0.00 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 1wvo s GLU 32 CO 0.00 -0.51 0.27 -0.35 0.95 0.00 0.00 175.26 175.62 1wvo n PRO 33 N -0.32 0.32 -1.58 -4.83 -0.04 -1.19 -2.85 135.00 124.51 1wvo n PRO 33 Ca -0.16 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.82 1wvo n PRO 33 Cb 0.64 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.25 1.66 0.00 0.54 2.85 -1.26 -3.62 118.16 118.09 1wvo n LYS 34 Ca 0.00 0.54 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 1wvo n LYS 34 Cb 0.02 -2.66 0.00 0.00 -0.65 0.00 0.00 35.03 31.74 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 5.46 2.38 3.29 2.58 0.00 -1.26 -4.76 105.19 112.87 1wvo n GLY 35 Ca 0.31 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1wvo n GLY 35 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wvo s TYR 36 N 0.00 -0.46 0.22 1.61 5.04 -1.22 -4.35 117.35 118.18 1wvo s TYR 36 Ca 0.00 1.11 -0.30 0.00 -2.44 0.00 0.00 57.07 55.44 1wvo s TYR 36 Cb 0.00 0.17 -0.09 0.00 0.35 0.00 0.00 41.96 42.39 1wvo s TYR 36 CO 0.00 -0.23 1.35 -1.25 -1.34 0.00 0.00 175.55 174.08 1wvo s PRO 37 N 0.41 4.35 0.58 4.97 0.04 -1.26 -2.26 135.00 141.83 1wvo s PRO 37 Ca -0.02 2.14 0.34 0.00 0.04 0.00 0.00 61.00 63.51 1wvo s PRO 37 Cb -0.04 -3.16 1.79 0.00 0.04 0.00 0.00 34.50 33.13 1wvo s PRO 37 CO -0.02 -0.30 2.18 -1.00 0.04 0.00 0.00 177.00 177.89 1wvo h PRO 38 N 5.20 0.00 0.00 0.56 0.13 -1.84 -2.41 132.00 133.65 1wvo h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wvo h PRO 38 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wvo h PRO 38 CO 0.77 0.05 0.00 -1.91 -0.23 0.00 0.00 178.00 176.68 1wvo n GLU 39 N -3.39 0.07 -0.01 0.86 4.07 -1.26 -2.51 120.64 118.46 1wvo n GLU 39 Ca -0.02 0.23 0.01 0.00 -0.06 0.00 0.00 57.16 57.31 1wvo n GLU 39 Cb 0.18 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.07 1wvo n GLU 39 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1wvo n ASP 40 N -1.43 2.04 -0.16 4.31 2.03 -0.91 -4.77 116.55 117.65 1wvo n ASP 40 Ca 0.04 -2.04 0.25 0.00 0.52 0.00 0.00 54.79 53.56 1wvo n ASP 40 Cb 0.14 -0.02 0.67 0.00 -0.72 0.00 0.00 41.12 41.19 1wvo n ASP 40 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1wvo h ILE 41 N 0.05 0.61 -0.89 5.18 2.10 -1.57 -1.99 117.51 121.01 1wvo h ILE 41 Ca 0.00 -0.03 0.13 0.00 1.08 0.00 0.00 64.86 66.04 1wvo h ILE 41 Cb 0.53 0.51 -0.07 0.00 -1.09 0.00 0.00 36.82 36.69 1wvo h ILE 41 CO 0.00 0.02 0.57 -0.26 -1.08 0.00 0.00 178.15 177.40 1wvo h PHE 42 N 0.09 0.86 0.00 2.19 0.04 -1.86 -0.90 116.94 117.37 1wvo h PHE 42 Ca 0.41 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 61.03 1wvo h PHE 42 Cb 1.47 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1wvo h PHE 42 CO -0.00 0.34 -0.83 -2.95 -0.60 0.00 0.00 178.31 174.27 1wvo h ASN 43 N 0.75 0.00 -0.10 2.17 7.08 -1.75 -3.20 115.58 120.53 1wvo h ASN 43 Ca 0.44 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.57 1wvo h ASN 43 Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.85 1wvo h ASN 43 CO -0.20 0.83 -0.19 -0.07 -2.08 0.00 0.00 177.43 175.73 1wvo h LEU 44 N 0.00 0.48 -8.68 6.14 3.38 -1.26 -3.40 115.31 111.98 1wvo h LEU 44 Ca -0.01 -0.14 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 1wvo h LEU 44 Cb 1.54 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1wvo h LEU 44 CO 0.11 0.69 1.29 -0.69 0.09 0.00 0.00 178.44 179.93 1wvo s VAL 45 N -4.62 3.46 0.00 1.22 1.01 -0.89 -1.90 120.40 118.70 1wvo s VAL 45 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1wvo s VAL 45 Cb 0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wvo s VAL 45 CO 0.78 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1wvo n GLY 46 N 5.52 1.49 3.85 4.51 0.00 -0.22 -4.96 105.19 115.38 1wvo n GLY 46 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 3.90 -0.10 1.61 1.02 -0.80 -4.63 119.74 120.73 1wvo s LYS 47 Ca 0.00 0.79 -0.13 0.00 0.02 0.00 0.00 55.97 56.65 1wvo s LYS 47 Cb 0.00 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1wvo s LYS 47 CO 0.00 -0.18 0.31 0.21 -0.92 0.00 0.00 175.35 174.77 1wvo s LYS 48 N -3.96 4.00 0.34 1.68 2.20 -1.26 -0.77 119.74 121.97 1wvo s LYS 48 Ca 0.56 0.18 -0.26 0.00 -0.36 0.00 0.00 55.97 56.09 1wvo s LYS 48 Cb -0.10 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 1wvo s LYS 48 CO 0.31 0.48 1.05 0.14 -0.36 0.00 0.00 175.35 176.96 1wvo s VAL 49 N -0.30 3.72 -0.63 4.02 -7.23 -0.85 -0.86 120.40 118.27 1wvo s VAL 49 Ca 0.19 1.49 0.24 0.00 -1.81 0.00 0.00 61.98 62.09 1wvo s VAL 49 Cb -0.14 -3.85 0.02 0.00 0.56 0.00 0.00 36.38 32.97 1wvo s VAL 49 CO 0.07 0.17 1.27 0.18 -0.31 0.00 0.00 175.10 176.49 1wvo n LEU 50 N 0.52 0.69 -3.97 1.32 4.77 0.24 -1.63 117.00 118.93 1wvo n LEU 50 Ca 0.02 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1wvo n LEU 50 Cb 0.48 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1wvo n LEU 50 CO 0.48 -0.04 -0.10 0.68 -1.33 0.00 0.00 177.39 177.08 1wvo s VAL 51 N -3.17 0.10 -0.01 4.08 -7.23 -1.26 -4.82 120.40 108.08 1wvo s VAL 51 Ca 0.06 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 1wvo s VAL 51 Cb 0.13 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1wvo s VAL 51 CO 0.73 -0.44 1.17 -0.89 -0.31 0.00 0.00 175.10 175.36 1wvo s THR 52 N -3.95 4.28 0.06 5.32 2.01 -1.26 -3.88 115.64 118.21 1wvo s THR 52 Ca 0.15 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.79 1wvo s THR 52 Cb 0.05 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1wvo s THR 52 CO -0.03 0.06 0.06 -0.69 -0.69 0.00 0.00 174.62 173.33 1wvo s VAL 53 N 1.68 4.47 0.46 3.82 1.01 0.30 -4.88 120.40 127.25 1wvo s VAL 53 Ca 0.56 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1wvo s VAL 53 Cb -0.26 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1wvo s VAL 53 CO 0.25 0.19 0.62 -1.61 0.00 0.00 0.00 175.10 174.55 1wvo s GLU 54 N -2.19 2.73 0.18 2.72 2.02 -1.26 -0.77 118.70 122.14 1wvo s GLU 54 Ca 0.27 -1.18 -0.31 0.00 0.02 0.00 0.00 54.97 53.78 1wvo s GLU 54 Cb -0.12 -2.70 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1wvo s GLU 54 CO 0.19 -0.40 1.40 -2.00 0.02 0.00 0.00 175.26 174.47 1wvo s GLU 55 N -4.45 4.32 0.00 1.61 2.12 -1.26 -2.72 118.70 118.32 1wvo s GLU 55 Ca 0.56 2.16 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1wvo s GLU 55 Cb -0.10 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1wvo s GLU 55 CO 0.34 -0.39 0.00 -3.47 -0.54 0.00 0.00 175.26 171.21 1wvo n ASP 56 N 3.10 -4.52 -4.76 -1.70 2.03 0.38 -4.92 116.55 106.16 1wvo n ASP 56 Ca 0.09 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 1wvo n ASP 56 Cb 0.41 -2.26 0.06 0.00 -0.72 0.00 0.00 41.12 38.61 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 4.91 -0.15 1.67 2.15 -1.10 -4.62 116.67 117.51 1wvo s ASP 57 Ca 0.00 2.09 -0.25 0.00 0.43 0.00 0.00 52.55 54.82 1wvo s ASP 57 Cb 0.00 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 1wvo s ASP 57 CO 0.00 -1.77 0.81 -0.89 -0.17 0.00 0.00 175.17 173.15 1wvo s THR 58 N -2.24 4.92 0.26 1.71 2.01 -1.26 -0.64 115.64 120.40 1wvo s THR 58 Ca 0.69 1.60 -0.17 0.00 0.31 0.00 0.00 61.69 64.11 1wvo s THR 58 Cb -0.23 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 1wvo s THR 58 CO 0.42 0.07 0.73 -0.63 -0.69 0.00 0.00 174.62 174.52 1wvo s ILE 59 N 1.86 4.62 0.06 1.82 -1.09 -1.19 -4.93 121.20 122.36 1wvo s ILE 59 Ca 0.38 1.12 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 1wvo s ILE 59 Cb -0.17 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1wvo s ILE 59 CO 0.14 0.03 -0.10 -0.04 -1.23 0.00 0.00 174.94 173.75 1wvo s MET 60 N -2.42 0.69 0.57 2.79 -1.94 -1.26 -3.45 119.30 114.27 1wvo s MET 60 Ca 0.48 -0.93 0.26 0.00 -1.71 0.00 0.00 55.69 53.79 1wvo s MET 60 Cb -0.14 -0.47 1.57 0.00 2.01 0.00 0.00 34.83 37.80 1wvo s MET 60 CO 0.19 0.09 2.11 1.05 -0.01 0.00 0.00 175.02 178.45 1wvo h GLU 61 N 4.15 0.00 0.00 2.03 -0.00 -1.96 -1.85 114.58 116.96 1wvo h GLU 61 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 1wvo h GLU 61 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1wvo h GLU 61 CO 0.45 0.00 0.00 -0.85 -0.00 0.00 0.00 179.01 178.61 1wvo n GLU 62 N -4.01 0.78 -0.04 1.06 0.28 -1.26 -3.25 120.64 114.20 1wvo n GLU 62 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.06 1wvo n GLU 62 Cb 0.31 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.73 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 -1.03 1.97 -4.16 -1.84 4.77 -0.69 -4.98 117.00 111.03 1wvo n LEU 63 Ca 0.19 -1.32 -0.16 0.00 -0.03 0.00 0.00 56.01 54.70 1wvo n LEU 63 Cb 0.10 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 1wvo n LEU 63 CO 0.15 0.44 -0.43 0.68 -1.33 0.00 0.00 177.39 176.90 1wvo s VAL 64 N -0.76 0.96 0.65 4.08 -7.23 -1.20 -0.59 120.40 116.31 1wvo s VAL 64 Ca 0.11 -1.46 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 1wvo s VAL 64 Cb 0.07 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 1wvo s VAL 64 CO 0.10 -0.42 1.26 1.51 -0.31 0.00 0.00 175.10 177.24 1wvo s ASP 65 N -2.11 4.65 -0.21 4.85 1.47 -0.04 -4.90 116.67 120.39 1wvo s ASP 65 Ca 0.01 2.52 -0.06 0.00 1.18 0.00 0.00 52.55 56.21 1wvo s ASP 65 Cb -0.06 -2.61 -0.19 0.00 -0.34 0.00 0.00 42.92 39.72 1wvo s ASP 65 CO 0.01 -1.96 -0.01 -3.20 0.68 0.00 0.00 175.17 170.68 1wvo n ASN 66 N -1.99 2.01 -3.32 2.11 5.15 -1.26 -4.68 115.26 113.29 1wvo n ASN 66 Ca 0.15 0.10 -0.25 0.00 -0.60 0.00 0.00 54.58 53.97 1wvo n ASN 66 Cb 0.49 -0.67 -0.08 0.00 -0.53 0.00 0.00 39.78 38.98 1wvo n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wvo n HIS 67 N -3.60 0.25 -1.57 1.20 1.44 -1.26 -5.13 115.22 106.56 1wvo n HIS 67 Ca -0.41 -3.62 -0.29 0.00 -2.01 0.00 0.00 57.72 51.38 1wvo n HIS 67 Cb 0.96 -0.24 0.12 0.00 0.12 0.00 0.00 29.99 30.96 1wvo n HIS 67 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1wvo s GLY 68 N -1.06 1.58 -0.13 -1.39 0.00 -1.26 -5.10 107.32 99.96 1wvo s GLY 68 Ca 0.35 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.36 1wvo s GLY 68 CO -0.12 0.05 0.56 -1.59 0.00 0.00 0.00 173.10 171.99 1wvo s LYS 69 N -5.28 0.78 -0.13 2.90 0.00 -1.26 -5.17 119.74 111.58 1wvo s LYS 69 Ca 0.63 0.47 -0.07 0.00 0.00 0.00 0.00 55.97 57.00 1wvo s LYS 69 Cb -0.14 0.37 0.05 0.00 0.00 0.00 0.00 37.83 38.11 1wvo s LYS 69 CO 0.53 -0.17 0.31 0.21 0.00 0.00 0.00 175.35 176.23 1wvo s LYS 70 N -0.41 0.28 0.71 1.78 2.20 -1.26 -5.15 119.74 117.89 1wvo s LYS 70 Ca -0.06 0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 1wvo s LYS 70 Cb -0.03 -0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.24 1wvo s LYS 70 CO 0.04 -0.16 1.25 0.96 -0.36 0.00 0.00 175.35 177.08 1wvo s ILE 71 N 1.27 2.09 0.03 5.43 -4.36 -1.26 -5.06 121.20 119.35 1wvo s ILE 71 Ca -0.09 0.05 -0.14 0.00 -0.26 0.00 0.00 60.65 60.21 1wvo s ILE 71 Cb -0.09 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.87 1wvo s ILE 71 CO -0.10 -0.02 0.30 -0.75 0.24 0.00 0.00 174.94 174.61 1wvo s LYS 72 N -3.72 0.77 -0.04 0.37 2.20 -1.26 -5.16 119.74 112.90 1wvo s LYS 72 Ca 0.78 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.95 1wvo s LYS 72 Cb -0.33 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1wvo s LYS 72 CO 0.44 -0.24 0.07 -1.12 -0.36 0.00 0.00 175.35 174.14 1wvo s SER 73 N -1.87 0.43 0.55 1.43 0.01 -1.26 -5.17 113.70 107.83 1wvo s SER 73 Ca -0.07 0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wvo s SER 73 Cb -0.02 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.21 1wvo s SER 73 CO -0.01 -0.18 0.79 -0.44 0.41 0.00 0.00 173.24 173.81 1wvo s SER 74 N 1.53 5.35 -0.85 2.44 0.01 -1.26 -5.07 113.70 115.86 1wvo s SER 74 Ca -0.04 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1wvo s SER 74 Cb -0.12 -1.08 0.22 0.00 0.21 0.00 0.00 66.02 65.24 1wvo s SER 74 CO -0.04 -1.10 0.77 0.61 0.41 0.00 0.00 173.24 173.89 1wvo n GLY 75 N -2.37 4.24 3.69 3.44 0.00 -1.26 -5.09 105.19 107.85 1wvo n GLY 75 Ca 0.06 -2.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.17 1wvo n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wvo s PRO 76 N -1.61 0.73 0.11 1.61 0.04 -1.26 -5.09 135.00 129.53 1wvo s PRO 76 Ca 0.29 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.95 1wvo s PRO 76 Cb -0.03 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wvo s PRO 76 CO -0.11 -2.55 0.12 0.45 0.04 0.00 0.00 177.00 174.95 1wvo n SER 77 N -4.06 -0.33 -0.18 6.66 2.88 -1.26 -5.07 113.62 112.26 1wvo n SER 77 Ca 0.06 -1.70 0.03 0.00 -1.33 0.00 0.00 58.87 55.93 1wvo n SER 77 Cb 0.57 0.69 0.05 0.00 -0.75 0.00 0.00 64.21 64.76 1wvo n SER 77 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wvo n SER 78 N -2.31 1.19 0.00 -3.46 7.64 -1.26 -5.34 113.62 110.07 1wvo n SER 78 Ca 0.02 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1wvo n SER 78 Cb 0.20 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1wvo n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64