#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgv s SER 2 N 0.00 1.89 -0.17 1.61 0.01 -1.26 -5.12 113.70 110.67 1wgv s SER 2 Ca 0.00 -1.21 0.01 0.00 1.31 0.00 0.00 55.95 56.05 1wgv s SER 2 Cb 0.00 0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.57 1wgv s SER 2 CO 0.00 -0.35 -0.19 -0.55 0.41 0.00 0.00 173.24 172.56 1wgv s SER 3 N 1.92 3.02 -0.41 2.44 0.15 -1.26 -5.05 113.70 114.51 1wgv s SER 3 Ca 0.12 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.20 1wgv s SER 3 Cb -0.16 -1.40 0.16 0.00 -1.71 0.00 0.00 66.02 62.91 1wgv s SER 3 CO -0.21 -0.01 0.38 -0.83 1.20 0.00 0.00 173.24 173.77 1wgv s GLY 4 N 1.30 0.51 0.42 9.45 0.00 -1.26 -4.85 107.32 112.89 1wgv s GLY 4 Ca 0.04 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1wgv s GLY 4 CO -0.12 2.47 0.00 1.44 0.00 0.00 0.00 173.10 176.90 1wgv n SER 5 N 3.40 -3.68 -0.07 1.64 7.64 -1.26 -5.01 113.62 116.28 1wgv n SER 5 Ca 0.21 0.80 -0.06 0.00 1.01 0.00 0.00 58.87 60.83 1wgv n SER 5 Cb 0.46 3.47 -0.02 0.00 -1.01 0.00 0.00 64.21 67.11 1wgv n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wgv h SER 6 N 0.00 0.00 0.00 6.43 4.64 -2.05 -3.51 113.55 119.07 1wgv h SER 6 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wgv h SER 6 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wgv h SER 6 CO 0.00 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 1wgv n GLY 7 N 1.62 0.37 2.19 -0.77 0.00 -1.26 -4.92 105.19 102.42 1wgv n GLY 7 Ca -0.09 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1wgv n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wgv n GLN 8 N 0.00 0.00 -3.21 1.61 7.27 -1.26 -5.07 117.38 116.72 1wgv n GLN 8 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1wgv n GLN 8 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1wgv n GLN 8 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1wgv n LYS 9 N -3.47 -1.40 -3.30 3.69 5.02 -1.26 -4.96 118.16 112.47 1wgv n LYS 9 Ca 0.00 1.37 -0.38 0.00 -2.02 0.00 0.00 58.31 57.27 1wgv n LYS 9 Cb 0.00 -5.02 -0.06 0.00 -0.02 0.00 0.00 35.03 29.93 1wgv n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wgv s ASN 10 N -2.97 6.88 1.07 4.39 4.22 -1.26 -5.07 114.94 122.20 1wgv s ASN 10 Ca 0.01 1.05 -0.17 0.00 -2.14 0.00 0.00 52.86 51.60 1wgv s ASN 10 Cb -0.00 -2.32 0.24 0.00 1.28 0.00 0.00 41.25 40.45 1wgv s ASN 10 CO 0.78 0.15 1.22 -2.16 -2.04 0.00 0.00 177.10 175.05 1wgv s PRO 11 N -0.30 -0.23 -0.01 3.55 0.04 -1.26 -5.00 135.00 131.78 1wgv s PRO 11 Ca 0.28 -0.23 -0.23 0.00 0.04 0.00 0.00 61.00 60.86 1wgv s PRO 11 Cb -0.17 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.48 1wgv s PRO 11 CO 0.15 -3.03 1.08 -0.44 0.04 0.00 0.00 177.00 174.81 1wgv h ASP 12 N -2.08 -0.30 -1.54 6.66 5.19 -2.01 -3.36 116.42 118.97 1wgv h ASP 12 Ca -0.45 -0.23 -0.68 0.00 -0.62 0.00 0.00 57.03 55.05 1wgv h ASP 12 Cb 1.27 0.08 -0.13 0.00 0.18 0.00 0.00 39.33 40.72 1wgv h ASP 12 CO 0.37 0.14 1.58 -0.94 -3.12 0.00 0.00 179.24 177.26 1wgv s SER 13 N -5.21 6.79 0.15 6.45 1.04 -1.26 -4.33 113.70 117.32 1wgv s SER 13 Ca -0.13 -2.30 0.00 0.00 0.48 0.00 0.00 55.95 53.99 1wgv s SER 13 Cb 0.01 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1wgv s SER 13 CO 0.51 -1.11 0.00 0.00 0.98 0.00 0.00 173.24 173.62 1wgv n TYR 14 N 7.44 -1.29 -2.59 5.02 4.19 -1.26 -5.05 117.16 123.61 1wgv n TYR 14 Ca 0.38 0.23 -0.31 0.00 3.31 0.00 0.00 57.90 61.51 1wgv n TYR 14 Cb 0.47 0.55 -0.03 0.00 0.49 0.00 0.00 39.34 40.82 1wgv n TYR 14 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1wgv s ASN 15 N -5.00 6.52 0.47 2.98 2.47 -1.26 -4.83 114.94 116.29 1wgv s ASN 15 Ca 0.00 1.30 0.00 0.00 0.42 0.00 0.00 52.86 54.58 1wgv s ASN 15 Cb 0.00 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1wgv s ASN 15 CO 0.00 -0.52 0.00 0.61 -3.72 0.00 0.00 177.10 173.47 1wgv n GLY 16 N -1.58 0.33 2.88 1.21 0.00 -1.26 -4.81 105.19 101.96 1wgv n GLY 16 Ca 0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1wgv n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgv s ALA 17 N -2.00 -0.11 -0.03 4.61 0.00 -1.26 -5.02 121.76 117.95 1wgv s ALA 17 Ca 0.00 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 1wgv s ALA 17 Cb 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1wgv s ALA 17 CO 0.00 -0.08 0.49 0.54 0.00 0.00 0.00 175.76 176.70 1wgv s VAL 18 N 0.63 0.03 0.00 0.00 0.11 -1.26 -3.75 120.40 116.16 1wgv s VAL 18 Ca -0.05 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1wgv s VAL 18 Cb -0.07 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1wgv s VAL 18 CO -0.02 -0.13 0.00 -1.14 -3.33 0.00 0.00 175.10 170.47 1wgv n ARG 19 N 1.13 0.00 0.00 1.54 3.00 -1.26 -5.08 116.66 115.98 1wgv n ARG 19 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1wgv n ARG 19 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 1wgv n ARG 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wgv n GLU 20 N -2.01 0.00 0.26 -0.14 0.28 -1.26 -4.99 120.64 112.78 1wgv n GLU 20 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 1wgv n GLU 20 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 1wgv n GLU 20 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1wgv h ASN 21 N 0.00 -0.66 -3.27 -1.84 -1.24 -1.98 -3.44 115.58 103.16 1wgv h ASN 21 Ca 0.00 0.04 -0.15 0.00 0.71 0.00 0.00 56.30 56.90 1wgv h ASN 21 Cb 0.00 0.19 -0.28 0.00 0.73 0.00 0.00 38.32 38.96 1wgv h ASN 21 CO 0.00 -0.42 -0.38 -0.72 -1.29 0.00 0.00 177.43 174.62 1wgv s TYR 22 N -6.07 -0.49 0.29 0.67 -0.85 -1.26 -4.61 117.35 105.03 1wgv s TYR 22 Ca -0.16 1.08 -0.14 0.00 -0.52 0.00 0.00 57.07 57.33 1wgv s TYR 22 Cb 0.05 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.48 1wgv s TYR 22 CO 0.63 -0.30 0.68 0.99 -1.52 0.00 0.00 175.55 176.04 1wgv s THR 23 N 1.36 4.75 0.24 -3.49 2.01 -1.14 -4.41 115.64 114.96 1wgv s THR 23 Ca -0.09 0.82 -0.17 0.00 0.31 0.00 0.00 61.69 62.56 1wgv s THR 23 Cb -0.09 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1wgv s THR 23 CO -0.11 -0.14 0.57 -1.66 -0.69 0.00 0.00 174.62 172.59 1wgv s TRP 24 N -1.92 0.06 0.21 4.92 1.48 -1.25 -1.36 118.94 121.09 1wgv s TRP 24 Ca 0.52 -0.45 -0.15 0.00 -1.06 0.00 0.00 56.10 54.96 1wgv s TRP 24 Cb -0.11 0.41 0.01 0.00 -1.16 0.00 0.00 33.47 32.62 1wgv s TRP 24 CO 0.18 -1.05 0.48 -1.12 -4.06 0.00 0.00 176.95 171.39 1wgv s SER 25 N -2.95 -0.16 -0.17 -2.66 0.01 -0.85 -4.13 113.70 102.80 1wgv s SER 25 Ca 0.15 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1wgv s SER 25 Cb -0.02 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.79 1wgv s SER 25 CO 0.05 -1.07 -0.20 0.00 0.41 0.00 0.00 173.24 172.43 1wgv s GLN 26 N -3.94 3.03 0.54 12.44 -2.07 -1.26 -3.21 119.66 125.20 1wgv s GLN 26 Ca 0.15 -0.82 0.06 0.00 -1.82 0.00 0.00 55.36 52.93 1wgv s GLN 26 Cb -0.01 -2.55 0.04 0.00 -1.09 0.00 0.00 33.01 29.41 1wgv s GLN 26 CO 0.02 -0.13 0.47 -0.51 -1.32 0.00 0.00 175.29 173.82 1wgv s ASP 27 N 1.11 4.72 0.21 12.60 1.11 -0.72 -4.96 116.67 130.74 1wgv s ASP 27 Ca 0.00 -1.16 -0.21 0.00 0.18 0.00 0.00 52.55 51.36 1wgv s ASP 27 Cb -0.14 0.35 0.15 0.00 1.07 0.00 0.00 42.92 44.35 1wgv s ASP 27 CO -0.08 -1.12 1.54 -1.22 1.18 0.00 0.00 175.17 175.46 1wgv n TYR 28 N -1.83 -0.10 -2.93 4.23 4.01 -1.26 -3.80 117.16 115.47 1wgv n TYR 28 Ca 0.02 1.23 -0.14 0.00 -0.16 0.00 0.00 57.90 58.84 1wgv n TYR 28 Cb 0.64 -0.79 -0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1wgv n THR 29 N -5.40 -0.30 0.00 -0.72 5.66 -1.26 -5.03 114.28 107.23 1wgv n THR 29 Ca 0.08 -2.35 0.00 0.00 -3.05 0.00 0.00 64.05 58.73 1wgv n THR 29 Cb 0.36 0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1wgv n THR 29 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1wgv n ASP 30 N 1.82 0.00 -4.25 1.09 5.75 -1.25 -4.64 116.55 115.06 1wgv n ASP 30 Ca 0.15 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.67 1wgv n ASP 30 Cb 0.58 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.52 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1wgv s LEU 31 N 0.00 2.12 -0.21 -2.12 1.02 -1.10 -1.75 118.68 116.64 1wgv s LEU 31 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 1wgv s LEU 31 Cb 0.00 -1.04 0.06 0.00 0.02 0.00 0.00 46.19 45.23 1wgv s LEU 31 CO 0.00 0.20 0.02 -0.70 0.02 0.00 0.00 176.35 175.90 1wgv s GLU 32 N -0.95 0.85 -0.12 1.70 2.12 -1.20 -2.96 118.70 118.14 1wgv s GLU 32 Ca 0.08 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.84 1wgv s GLU 32 Cb -0.09 -2.20 0.01 0.00 0.26 0.00 0.00 34.13 32.11 1wgv s GLU 32 CO 0.01 -0.66 -0.20 0.54 -0.54 0.00 0.00 175.26 174.41 1wgv s VAL 33 N 1.74 1.84 -0.11 3.70 0.11 -1.23 -2.00 120.40 124.45 1wgv s VAL 33 Ca -0.01 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1wgv s VAL 33 Cb -0.17 -1.63 -0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1wgv s VAL 33 CO -0.09 0.51 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.85 1wgv s ARG 34 N 0.74 3.16 -0.16 1.54 0.52 -0.46 -3.28 118.95 121.00 1wgv s ARG 34 Ca -0.10 -0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 54.24 1wgv s ARG 34 Cb -0.16 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 1wgv s ARG 34 CO 0.01 0.19 0.02 0.08 0.02 0.00 0.00 175.30 175.62 1wgv s VAL 35 N 0.34 4.42 0.24 3.52 1.01 -0.72 -2.90 120.40 126.30 1wgv s VAL 35 Ca -0.16 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1wgv s VAL 35 Cb -0.17 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1wgv s VAL 35 CO 0.08 0.50 1.09 -2.16 0.00 0.00 0.00 175.10 174.61 1wgv s PRO 36 N 0.15 4.63 0.23 2.72 0.04 -1.26 0.19 135.00 141.70 1wgv s PRO 36 Ca 0.02 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.92 1wgv s PRO 36 Cb -0.13 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1wgv s PRO 36 CO 0.01 0.17 -0.18 0.14 0.04 0.00 0.00 177.00 177.18 1wgv s VAL 37 N -0.81 2.12 1.06 -0.36 -7.23 -0.96 -4.86 120.40 109.35 1wgv s VAL 37 Ca 0.46 -2.23 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 1wgv s VAL 37 Cb -0.31 -2.13 0.23 0.00 0.56 0.00 0.00 36.38 34.73 1wgv s VAL 37 CO 0.38 -0.43 1.21 -2.16 -0.31 0.00 0.00 175.10 173.79 1wgv s PRO 38 N -3.37 -0.09 0.00 4.82 0.04 -1.26 -4.30 135.00 130.84 1wgv s PRO 38 Ca 0.24 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.17 1wgv s PRO 38 Cb -0.04 -1.74 0.22 0.00 0.04 0.00 0.00 34.50 32.98 1wgv s PRO 38 CO 0.10 -2.94 1.17 1.63 0.04 0.00 0.00 177.00 177.00 1wgv n LYS 39 N -4.19 1.36 0.00 4.56 4.76 -1.26 -2.76 118.16 120.63 1wgv n LYS 39 Ca 0.13 -0.56 0.06 0.00 -2.87 0.00 0.00 58.31 55.07 1wgv n LYS 39 Cb 0.59 -1.14 0.01 0.00 -1.84 0.00 0.00 35.03 32.65 1wgv n LYS 39 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wgv n HIS 40 N -0.06 0.00 -3.53 2.13 1.44 -1.26 -4.79 115.22 109.15 1wgv n HIS 40 Ca 0.06 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.36 1wgv n HIS 40 Cb 0.14 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.14 1wgv n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wgv s VAL 41 N -1.43 4.95 0.00 0.61 1.01 -1.11 -4.79 120.40 119.64 1wgv s VAL 41 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1wgv s VAL 41 Cb 0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1wgv s VAL 41 CO 0.27 -0.25 0.00 1.33 0.00 0.00 0.00 175.10 176.45 1wgv n VAL 42 N 5.08 0.00 -2.73 2.92 0.24 -1.26 -1.61 118.33 120.97 1wgv n VAL 42 Ca -0.11 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.84 1wgv n VAL 42 Cb 0.47 -0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.56 1wgv n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1wgv s LYS 43 N -1.37 4.29 0.00 7.34 -0.14 -1.26 -4.35 119.74 124.25 1wgv s LYS 43 Ca 0.00 1.28 0.23 0.00 -1.36 0.00 0.00 55.97 56.11 1wgv s LYS 43 Cb 0.00 -2.43 1.36 0.00 -1.68 0.00 0.00 37.83 35.07 1wgv s LYS 43 CO 0.00 0.01 1.74 0.41 -0.76 0.00 0.00 175.35 176.75 1wgv n GLY 44 N -0.05 -0.75 0.01 -3.33 0.00 -1.26 -2.02 105.19 97.78 1wgv n GLY 44 Ca 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1wgv n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wgv n LYS 45 N -0.97 0.06 -0.80 1.61 -0.00 -1.26 -3.80 118.16 113.00 1wgv n LYS 45 Ca 0.17 0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.42 1wgv n LYS 45 Cb 0.08 -1.53 0.22 0.00 -0.00 0.00 0.00 35.03 33.80 1wgv n LYS 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1wgv n GLN 46 N -1.61 2.96 -3.68 -1.58 6.02 -0.86 -4.77 117.38 113.85 1wgv n GLN 46 Ca 0.05 -2.32 -0.14 0.00 -0.01 0.00 0.00 57.00 54.58 1wgv n GLN 46 Cb 0.36 -1.98 -0.08 0.00 1.02 0.00 0.00 30.24 29.55 1wgv n GLN 46 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wgv s VAL 47 N -2.40 0.00 -0.10 5.09 -7.23 -1.25 -0.90 120.40 113.61 1wgv s VAL 47 Ca 0.42 -0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.62 1wgv s VAL 47 Cb 0.34 -0.80 -0.00 0.00 0.56 0.00 0.00 36.38 36.48 1wgv s VAL 47 CO 0.10 -0.00 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.22 1wgv s SER 48 N 0.24 3.23 -0.02 4.85 0.01 -0.26 -4.96 113.70 116.79 1wgv s SER 48 Ca -0.00 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1wgv s SER 48 Cb -0.04 -1.40 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 1wgv s SER 48 CO 0.01 0.17 -0.13 -0.69 0.41 0.00 0.00 173.24 173.01 1wgv s VAL 49 N 0.31 1.04 -0.22 3.43 1.01 -1.26 -2.00 120.40 122.72 1wgv s VAL 49 Ca -0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1wgv s VAL 49 Cb -0.17 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.39 1wgv s VAL 49 CO 0.08 0.30 0.01 0.00 0.00 0.00 0.00 175.10 175.49 1wgv s ALA 50 N -0.16 1.38 -0.21 5.51 0.00 -1.19 -4.98 121.76 122.10 1wgv s ALA 50 Ca 0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1wgv s ALA 50 Cb -0.07 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1wgv s ALA 50 CO 0.00 -1.21 0.02 -0.51 0.00 0.00 0.00 175.76 174.06 1wgv s LEU 51 N 1.68 3.32 0.04 0.00 1.43 -1.26 -3.42 118.68 120.47 1wgv s LEU 51 Ca -0.02 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1wgv s LEU 51 Cb -0.18 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wgv s LEU 51 CO -0.08 0.04 0.00 -1.20 0.23 0.00 0.00 176.35 175.34 1wgv n SER 52 N 4.40 0.24 0.00 2.29 7.64 -1.25 -5.02 113.62 121.91 1wgv n SER 52 Ca -0.17 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wgv n SER 52 Cb 0.52 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1wgv n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wgv n SER 53 N -2.78 0.00 -0.49 6.43 3.41 -1.26 -4.61 113.62 114.33 1wgv n SER 53 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1wgv n SER 53 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1wgv n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wgv n SER 54 N 0.00 1.84 -3.84 4.04 3.41 -1.26 -0.74 113.62 117.08 1wgv n SER 54 Ca 0.00 -3.68 -0.11 0.00 -0.26 0.00 0.00 58.87 54.82 1wgv n SER 54 Cb 0.00 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 1wgv n SER 54 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wgv s SER 55 N -3.13 0.01 -0.04 4.04 1.04 -1.26 0.17 113.70 114.53 1wgv s SER 55 Ca 0.36 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 1wgv s SER 55 Cb 0.35 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.77 1wgv s SER 55 CO -0.05 -0.53 0.25 -0.51 0.98 0.00 0.00 173.24 173.38 1wgv s ILE 56 N -2.36 0.04 -0.06 -1.02 -1.16 -1.07 -3.96 121.20 111.62 1wgv s ILE 56 Ca -0.07 -0.37 -0.02 0.00 -0.51 0.00 0.00 60.65 59.68 1wgv s ILE 56 Cb -0.02 -0.49 0.04 0.00 0.61 0.00 0.00 42.46 42.60 1wgv s ILE 56 CO -0.03 -0.20 0.13 -0.60 -2.81 0.00 0.00 174.94 171.43 1wgv s ARG 57 N -0.84 0.07 -0.14 3.50 3.52 -1.22 -2.20 118.95 121.63 1wgv s ARG 57 Ca -0.09 0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.81 1wgv s ARG 57 Cb -0.05 -0.18 0.05 0.00 -1.56 0.00 0.00 34.95 33.21 1wgv s ARG 57 CO 0.02 -0.16 0.04 0.08 -0.81 0.00 0.00 175.30 174.47 1wgv s VAL 58 N 1.11 0.29 0.15 7.11 1.01 0.50 -3.16 120.40 127.40 1wgv s VAL 58 Ca -0.09 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1wgv s VAL 58 Cb -0.11 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1wgv s VAL 58 CO -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 175.10 174.95 1wgv s ALA 59 N 1.98 1.21 -0.04 5.51 0.00 -0.85 0.46 121.76 130.04 1wgv s ALA 59 Ca 0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 1wgv s ALA 59 Cb -0.15 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1wgv s ALA 59 CO -0.07 -0.29 0.09 0.00 0.00 0.00 0.00 175.76 175.49 1wgv s MET 60 N -3.89 0.06 0.12 0.00 0.23 0.14 -1.10 119.30 114.86 1wgv s MET 60 Ca 0.20 0.20 -0.31 0.00 -1.03 0.00 0.00 55.69 54.75 1wgv s MET 60 Cb 0.06 -0.08 -0.08 0.00 -1.53 0.00 0.00 34.83 33.20 1wgv s MET 60 CO 0.01 -0.09 1.35 -0.51 -2.03 0.00 0.00 175.02 173.75 1wgv s LEU 61 N 0.59 4.38 -0.05 0.18 1.43 -0.08 -0.53 118.68 124.61 1wgv s LEU 61 Ca -0.05 2.29 -0.04 0.00 -1.03 0.00 0.00 54.13 55.30 1wgv s LEU 61 Cb -0.06 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 1wgv s LEU 61 CO -0.02 -0.60 -0.08 -0.62 0.23 0.00 0.00 176.35 175.25 1wgv n GLU 62 N 3.72 0.14 0.03 1.70 -0.58 -0.59 -4.93 120.64 120.13 1wgv n GLU 62 Ca 0.10 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1wgv n GLU 62 Cb 0.43 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1wgv n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wgv n GLU 63 N -2.99 0.00 0.00 3.49 2.13 -1.26 -4.92 120.64 117.09 1wgv n GLU 63 Ca -0.03 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.92 1wgv n GLU 63 Cb 0.12 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.21 1wgv n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wgv n ASN 64 N -2.37 0.94 0.00 4.31 5.15 -1.26 -4.96 115.26 117.07 1wgv n ASN 64 Ca 0.00 -0.81 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1wgv n ASN 64 Cb 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wgv n GLY 65 N 1.35 2.52 3.74 8.20 0.00 -1.26 -5.19 105.19 114.54 1wgv n GLY 65 Ca 0.12 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1wgv n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgv s GLU 66 N 4.48 2.09 -0.02 1.61 1.03 -1.26 -1.54 118.70 125.09 1wgv s GLU 66 Ca 0.00 -1.45 -0.01 0.00 0.03 0.00 0.00 54.97 53.54 1wgv s GLU 66 Cb 0.00 0.58 0.01 0.00 -0.80 0.00 0.00 34.13 33.92 1wgv s GLU 66 CO 0.00 -0.95 0.04 0.50 -1.33 0.00 0.00 175.26 173.51 1wgv s ARG 67 N -2.71 0.03 -0.66 -4.83 3.52 0.32 -4.82 118.95 109.78 1wgv s ARG 67 Ca 0.18 0.09 -0.21 0.00 -0.13 0.00 0.00 55.73 55.66 1wgv s ARG 67 Cb -0.04 -0.04 0.08 0.00 -1.56 0.00 0.00 34.95 33.39 1wgv s ARG 67 CO 0.13 -0.04 0.91 0.08 -0.81 0.00 0.00 175.30 175.56 1wgv s VAL 68 N 0.27 4.49 0.05 7.11 1.01 -1.26 0.26 120.40 132.32 1wgv s VAL 68 Ca -0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1wgv s VAL 68 Cb -0.03 -4.64 -0.17 0.00 0.00 0.00 0.00 36.38 31.53 1wgv s VAL 68 CO -0.01 -1.37 1.47 -0.07 0.00 0.00 0.00 175.10 175.12 1wgv h LEU 69 N 10.90 -0.58 -8.06 3.92 3.38 -0.33 -3.45 115.31 121.10 1wgv h LEU 69 Ca -0.25 -0.04 -0.34 0.00 0.09 0.00 0.00 57.88 57.34 1wgv h LEU 69 Cb 1.07 0.15 -0.26 0.00 0.09 0.00 0.00 40.66 41.71 1wgv h LEU 69 CO 1.15 -0.32 -0.76 -0.32 0.09 0.00 0.00 178.44 178.29 1wgv s MET 70 N -5.51 0.58 -0.15 1.13 0.00 -0.61 -4.75 119.30 109.99 1wgv s MET 70 Ca -0.16 -0.44 -0.31 0.00 0.00 0.00 0.00 55.69 54.78 1wgv s MET 70 Cb 0.03 -0.50 0.13 0.00 0.00 0.00 0.00 34.83 34.49 1wgv s MET 70 CO 0.58 0.13 1.08 -2.00 0.00 0.00 0.00 175.02 174.81 1wgv s GLU 71 N -0.67 0.50 0.00 4.11 -6.30 -1.26 0.19 118.70 115.27 1wgv s GLU 71 Ca -0.01 -0.04 0.00 0.00 -2.50 0.00 0.00 54.97 52.42 1wgv s GLU 71 Cb -0.05 0.23 0.00 0.00 0.00 0.00 0.00 34.13 34.31 1wgv s GLU 71 CO 0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1wgv n GLY 72 N 0.26 4.36 3.73 -1.50 0.00 -0.94 -5.01 105.19 106.09 1wgv n GLY 72 Ca -0.06 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1wgv n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgv s LYS 73 N -3.36 4.34 0.83 1.61 1.02 -1.26 -2.60 119.74 120.31 1wgv s LYS 73 Ca 0.00 2.09 -0.11 0.00 0.02 0.00 0.00 55.97 57.98 1wgv s LYS 73 Cb 0.00 -3.21 0.09 0.00 -0.52 0.00 0.00 37.83 34.19 1wgv s LYS 73 CO 0.00 -0.37 1.10 -0.51 -0.92 0.00 0.00 175.35 174.65 1wgv s LEU 74 N 0.54 2.84 0.30 3.17 1.43 0.44 -2.10 118.68 125.30 1wgv s LEU 74 Ca 0.61 1.84 0.15 0.00 -1.03 0.00 0.00 54.13 55.71 1wgv s LEU 74 Cb -0.37 -4.42 0.31 0.00 0.03 0.00 0.00 46.19 41.74 1wgv s LEU 74 CO 0.34 -2.38 1.56 0.71 0.23 0.00 0.00 176.35 176.81 1wgv h THR 75 N -1.37 1.01 -3.14 5.49 1.35 -1.54 -3.42 112.91 111.28 1wgv h THR 75 Ca -0.45 -2.06 -0.18 0.00 -0.55 0.00 0.00 66.41 63.17 1wgv h THR 75 Cb 1.25 2.25 -0.05 0.00 -1.73 0.00 0.00 68.15 69.87 1wgv h THR 75 CO 0.50 0.50 -0.17 1.41 -0.25 0.00 0.00 175.52 177.51 1wgv n HIS 76 N -3.40 -0.46 -3.18 4.73 8.25 -1.26 -5.04 115.22 114.86 1wgv n HIS 76 Ca 0.01 -1.15 -0.22 0.00 -0.26 0.00 0.00 57.72 56.09 1wgv n HIS 76 Cb 0.66 0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1wgv n HIS 76 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wgv s LYS 77 N -2.52 3.16 0.18 -0.41 1.02 -1.26 -4.05 119.74 115.86 1wgv s LYS 77 Ca 0.16 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1wgv s LYS 77 Cb 0.01 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1wgv s LYS 77 CO 0.11 -0.11 0.14 0.44 -0.92 0.00 0.00 175.35 175.01 1wgv n ILE 78 N -1.92 0.00 -3.63 2.17 -6.64 0.08 -4.28 119.36 105.13 1wgv n ILE 78 Ca -0.00 -1.28 -0.38 0.00 -1.77 0.00 0.00 62.75 59.32 1wgv n ILE 78 Cb 0.57 0.61 -0.07 0.00 -1.44 0.00 0.00 39.64 39.32 1wgv n ILE 78 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1wgv s ASN 79 N -2.24 5.77 0.65 7.28 3.04 -0.77 -4.79 114.94 123.88 1wgv s ASN 79 Ca 0.20 -3.24 0.26 0.00 0.04 0.00 0.00 52.86 50.12 1wgv s ASN 79 Cb 0.01 -1.92 1.39 0.00 -1.54 0.00 0.00 41.25 39.19 1wgv s ASN 79 CO 0.14 -0.31 1.79 0.71 -3.04 0.00 0.00 177.10 176.39 1wgv h THR 80 N 4.65 0.06 0.03 -5.21 1.35 -1.87 1.05 112.91 112.97 1wgv h THR 80 Ca 0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1wgv h THR 80 Cb 0.90 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1wgv h THR 80 CO 0.78 0.00 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.71 1wgv h GLU 81 N 0.00 -0.04 0.00 4.72 5.08 -1.95 -3.27 114.58 119.12 1wgv h GLU 81 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1wgv h GLU 81 Cb 0.96 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1wgv h GLU 81 CO -0.00 0.58 -0.35 0.77 -1.00 0.00 0.00 179.01 179.01 1wgv h SER 82 N -0.72 0.00 -3.88 1.42 0.02 -1.12 -3.45 113.55 105.82 1wgv h SER 82 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1wgv h SER 82 Cb 0.64 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.19 1wgv h SER 82 CO 0.01 0.35 0.41 -0.44 -1.14 0.00 0.00 176.83 176.02 1wgv s SER 83 N -6.36 7.12 0.40 3.07 0.01 0.33 -4.80 113.70 113.47 1wgv s SER 83 Ca 0.04 2.06 0.05 0.00 1.31 0.00 0.00 55.95 59.40 1wgv s SER 83 Cb 0.07 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1wgv s SER 83 CO 0.71 -0.24 0.17 -1.48 0.41 0.00 0.00 173.24 172.82 1wgv s LEU 84 N -2.02 1.94 -0.29 2.44 0.05 -1.07 -4.81 118.68 114.91 1wgv s LEU 84 Ca 0.51 -1.73 -0.11 0.00 0.05 0.00 0.00 54.13 52.84 1wgv s LEU 84 Cb -0.25 0.07 0.12 0.00 -2.05 0.00 0.00 46.19 44.08 1wgv s LEU 84 CO 0.31 -1.00 0.65 -1.66 -0.55 0.00 0.00 176.35 174.10 1wgv s TRP 85 N -3.23 -1.29 0.22 3.48 1.48 -1.26 -2.01 118.94 116.32 1wgv s TRP 85 Ca 0.26 2.29 0.09 0.00 -1.06 0.00 0.00 56.10 57.68 1wgv s TRP 85 Cb 0.02 0.77 -0.05 0.00 -1.16 0.00 0.00 33.47 33.05 1wgv s TRP 85 CO 0.18 -0.64 -0.17 -1.12 -4.06 0.00 0.00 176.95 171.13 1wgv s SER 86 N 2.70 2.92 0.01 -2.66 0.01 -0.04 -5.01 113.70 111.62 1wgv s SER 86 Ca -0.07 -0.99 0.08 0.00 1.31 0.00 0.00 55.95 56.28 1wgv s SER 86 Cb -0.11 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1wgv s SER 86 CO -0.19 -0.08 -0.26 -0.22 0.41 0.00 0.00 173.24 172.90 1wgv s LEU 87 N -3.26 2.13 -0.05 2.44 1.98 -1.26 -1.59 118.68 119.07 1wgv s LEU 87 Ca 0.24 -0.51 0.05 0.00 -2.89 0.00 0.00 54.13 51.02 1wgv s LEU 87 Cb -0.03 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 45.48 1wgv s LEU 87 CO 0.09 0.30 -0.20 -1.61 -1.89 0.00 0.00 176.35 173.04 1wgv s GLU 88 N -0.87 2.06 -0.08 1.98 2.02 -1.11 -4.98 118.70 117.72 1wgv s GLU 88 Ca 0.11 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 1wgv s GLU 88 Cb -0.10 -1.78 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1wgv s GLU 88 CO 0.00 0.30 1.23 -1.25 0.02 0.00 0.00 175.26 175.57 1wgv s PRO 89 N -0.06 4.31 -1.12 0.39 0.04 -1.26 -3.68 135.00 133.62 1wgv s PRO 89 Ca -0.03 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 1wgv s PRO 89 Cb -0.12 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1wgv s PRO 89 CO 0.03 -0.53 0.83 0.41 0.04 0.00 0.00 177.00 177.78 1wgv n GLY 90 N 3.46 -1.01 0.00 0.56 0.00 -0.63 -4.87 105.19 102.69 1wgv n GLY 90 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1wgv n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wgv n LYS 91 N -3.88 0.00 -3.84 1.61 5.02 -1.24 -4.99 118.16 110.83 1wgv n LYS 91 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.14 1wgv n LYS 91 Cb 0.60 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.63 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgv s VAL 93 N -2.40 4.60 -0.11 0.00 1.01 0.50 -2.75 120.40 121.24 1wgv s VAL 93 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1wgv s VAL 93 Cb -0.04 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1wgv s VAL 93 CO 0.07 0.48 0.19 -0.22 0.00 0.00 0.00 175.10 175.63 1wgv s LEU 94 N 0.24 4.37 -0.13 3.92 1.98 -0.62 -1.76 118.68 126.69 1wgv s LEU 94 Ca 0.03 0.53 -0.06 0.00 -2.89 0.00 0.00 54.13 51.73 1wgv s LEU 94 Cb -0.13 -2.18 0.05 0.00 0.66 0.00 0.00 46.19 44.60 1wgv s LEU 94 CO 0.01 0.35 0.29 -0.69 -1.89 0.00 0.00 176.35 174.41 1wgv s VAL 95 N -0.77 -0.11 -0.14 1.68 1.01 -1.21 -0.86 120.40 120.00 1wgv s VAL 95 Ca 0.16 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1wgv s VAL 95 Cb -0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1wgv s VAL 95 CO 0.05 0.06 -0.07 0.20 0.00 0.00 0.00 175.10 175.34 1wgv s ASN 96 N 1.51 4.51 -0.24 3.32 0.01 -0.85 -3.50 114.94 119.70 1wgv s ASN 96 Ca -0.08 -0.20 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1wgv s ASN 96 Cb -0.10 -1.71 0.03 0.00 0.41 0.00 0.00 41.25 39.88 1wgv s ASN 96 CO -0.10 0.17 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.81 1wgv s LEU 97 N 0.33 3.05 0.15 0.60 1.43 -1.16 -2.60 118.68 120.49 1wgv s LEU 97 Ca -0.06 -0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 51.87 1wgv s LEU 97 Cb -0.15 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 1wgv s LEU 97 CO 0.04 -0.12 0.74 -0.44 0.23 0.00 0.00 176.35 176.81 1wgv s SER 98 N 1.28 7.34 -0.05 2.29 0.01 -1.26 -2.71 113.70 120.60 1wgv s SER 98 Ca -0.01 1.59 -0.22 0.00 1.31 0.00 0.00 55.95 58.62 1wgv s SER 98 Cb -0.17 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1wgv s SER 98 CO -0.06 0.22 0.64 -0.54 0.41 0.00 0.00 173.24 173.91 1wgv s LYS 99 N -1.16 4.39 -0.41 12.44 1.02 -1.26 -1.85 119.74 132.91 1wgv s LYS 99 Ca 0.35 0.79 -0.01 0.00 0.02 0.00 0.00 55.97 57.11 1wgv s LYS 99 Cb -0.22 -3.41 0.26 0.00 -0.52 0.00 0.00 37.83 33.94 1wgv s LYS 99 CO 0.25 0.18 2.06 1.33 -0.92 0.00 0.00 175.35 178.25 1wgv n VAL 100 N 3.40 3.01 -0.06 3.17 0.24 -1.26 -4.85 118.33 121.97 1wgv n VAL 100 Ca -0.04 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 1wgv n VAL 100 Cb 0.51 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1wgv n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgv n GLY 101 N 0.07 0.23 3.48 7.63 0.00 -1.26 -5.02 105.19 110.32 1wgv n GLY 101 Ca 0.39 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1wgv n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgv s GLU 102 N -1.27 3.40 0.14 1.61 2.02 -1.26 -4.98 118.70 118.36 1wgv s GLU 102 Ca 0.00 -1.19 0.06 0.00 0.02 0.00 0.00 54.97 53.86 1wgv s GLU 102 Cb 0.00 -4.70 -0.04 0.00 0.10 0.00 0.00 34.13 29.49 1wgv s GLU 102 CO 0.00 -1.90 -0.14 0.71 0.02 0.00 0.00 175.26 173.95 1wgv s TYR 103 N 3.85 1.46 -0.69 1.61 2.02 -1.26 -5.10 117.35 119.25 1wgv s TYR 103 Ca 0.32 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.33 1wgv s TYR 103 Cb -0.08 -0.75 0.18 0.00 -0.40 0.00 0.00 41.96 40.91 1wgv s TYR 103 CO -0.01 0.18 0.60 1.67 -1.57 0.00 0.00 175.55 176.42 1wgv s TRP 104 N -2.36 3.57 -0.98 2.71 -2.14 -1.26 -4.98 118.94 113.49 1wgv s TRP 104 Ca 0.12 -2.02 -0.25 0.00 2.66 0.00 0.00 56.10 56.61 1wgv s TRP 104 Cb -0.04 -3.64 -0.10 0.00 -3.10 0.00 0.00 33.47 26.59 1wgv s TRP 104 CO 0.03 -0.96 2.05 -1.58 -2.66 0.00 0.00 176.95 173.83 1wgv s TRP 105 N 0.50 1.64 -0.12 1.66 0.52 -1.26 -4.68 118.94 117.20 1wgv s TRP 105 Ca 0.14 1.08 0.25 0.00 0.02 0.00 0.00 56.10 57.59 1wgv s TRP 105 Cb -0.17 -3.82 1.32 0.00 -1.15 0.00 0.00 33.47 29.64 1wgv s TRP 105 CO -0.05 -1.42 1.77 -2.95 0.02 0.00 0.00 176.95 174.33 1wgv h ASN 106 N 11.17 0.00 -4.86 2.95 7.08 -1.95 -3.44 115.58 126.53 1wgv h ASN 106 Ca 0.10 0.00 0.21 0.00 -3.08 0.00 0.00 56.30 53.53 1wgv h ASN 106 Cb 0.98 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 37.08 1wgv h ASN 106 CO 1.15 0.00 0.66 0.00 -2.08 0.00 0.00 177.43 177.16 1wgv s ALA 107 N -3.60 -1.95 -0.09 4.14 0.00 -1.26 -2.98 121.76 116.02 1wgv s ALA 107 Ca -0.02 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1wgv s ALA 107 Cb 0.08 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1wgv s ALA 107 CO 0.27 -0.79 0.14 0.82 0.00 0.00 0.00 175.76 176.20 1wgv h ILE 108 N 2.00 0.00 -1.37 0.00 1.08 -1.87 -3.41 117.51 113.95 1wgv h ILE 108 Ca -0.20 -0.90 -0.44 0.00 -0.39 0.00 0.00 64.86 62.93 1wgv h ILE 108 Cb 1.21 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1wgv h ILE 108 CO 0.27 0.00 -0.26 -0.76 -0.69 0.00 0.00 178.15 176.71 1wgv s LEU 109 N -8.66 3.55 0.04 1.44 1.43 -1.26 -1.63 118.68 113.58 1wgv s LEU 109 Ca -0.02 -0.53 0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1wgv s LEU 109 Cb 0.00 -2.44 1.14 0.00 0.03 0.00 0.00 46.19 44.92 1wgv s LEU 109 CO 0.05 -0.81 1.89 -0.62 0.23 0.00 0.00 176.35 177.09 1wgv n GLU 110 N -1.85 0.06 0.09 1.70 1.02 -0.89 -3.31 120.64 117.45 1wgv n GLU 110 Ca 0.08 0.05 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 1wgv n GLU 110 Cb 0.60 -1.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 1wgv n GLU 110 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wgv h GLY 111 N 4.90 0.39 -6.43 0.62 0.00 -1.95 -3.44 103.07 97.17 1wgv h GLY 111 Ca 0.00 -1.00 -0.57 0.00 0.00 0.00 0.00 47.33 45.76 1wgv h GLY 111 CO 0.00 0.88 1.16 1.85 0.00 0.00 0.00 176.54 180.43 1wgv s GLU 112 N -2.61 3.62 0.99 4.80 2.56 -1.21 -4.96 118.70 121.89 1wgv s GLU 112 Ca -0.10 1.46 -0.16 0.00 0.00 0.00 0.00 54.97 56.18 1wgv s GLU 112 Cb 0.06 -4.08 -0.07 0.00 2.00 0.00 0.00 34.13 32.04 1wgv s GLU 112 CO 0.88 -1.51 -0.37 -0.85 -0.56 0.00 0.00 175.26 172.85 1wgv n GLU 113 N 7.96 -0.19 -1.56 4.30 0.28 -1.26 -4.76 120.64 125.41 1wgv n GLU 113 Ca 0.20 -0.04 -0.31 0.00 -0.16 0.00 0.00 57.16 56.85 1wgv n GLU 113 Cb 0.46 -1.35 0.06 0.00 1.43 0.00 0.00 31.44 32.04 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wgv s PRO 114 N -2.68 2.71 0.31 3.44 0.04 -1.26 -4.73 135.00 132.83 1wgv s PRO 114 Ca 0.47 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.45 1wgv s PRO 114 Cb -0.17 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1wgv s PRO 114 CO 0.75 -1.24 0.29 0.96 0.04 0.00 0.00 177.00 177.80 1wgv s ILE 115 N -3.07 3.87 -1.13 0.56 -4.36 -1.16 -5.05 121.20 110.86 1wgv s ILE 115 Ca 0.59 -1.33 -0.08 0.00 -0.26 0.00 0.00 60.65 59.57 1wgv s ILE 115 Cb -0.14 -3.28 0.27 0.00 1.25 0.00 0.00 42.46 40.55 1wgv s ILE 115 CO 0.55 -0.22 1.32 0.47 0.24 0.00 0.00 174.94 177.30 1wgv n ASP 116 N -1.35 5.72 -4.56 4.36 8.00 -1.26 -4.99 116.55 122.47 1wgv n ASP 116 Ca -0.03 -3.15 -0.28 0.00 0.71 0.00 0.00 54.79 52.03 1wgv n ASP 116 Cb 0.59 -1.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 1wgv n ASP 116 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wgv s ILE 117 N -1.25 3.18 -0.19 0.53 -1.09 -1.26 -4.86 121.20 116.27 1wgv s ILE 117 Ca 0.33 -1.48 -0.01 0.00 -2.23 0.00 0.00 60.65 57.26 1wgv s ILE 117 Cb -0.03 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1wgv s ILE 117 CO -0.01 0.02 0.02 0.47 -1.23 0.00 0.00 174.94 174.21 1wgv n ASP 118 N 0.45 -7.41 -2.68 3.58 8.00 -1.26 -5.01 116.55 112.22 1wgv n ASP 118 Ca -0.13 0.98 -0.04 0.00 0.71 0.00 0.00 54.79 56.31 1wgv n ASP 118 Cb 0.54 -3.76 0.05 0.00 -0.02 0.00 0.00 41.12 37.92 1wgv n ASP 118 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wgv n SER 119 N 0.91 -1.55 0.00 -2.24 2.88 -1.26 -5.16 113.62 107.19 1wgv n SER 119 Ca 0.00 -1.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.07 1wgv n SER 119 Cb 0.22 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 1wgv n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgv n GLY 120 N 2.14 1.31 0.15 0.46 0.00 -1.26 -4.93 105.19 103.05 1wgv n GLY 120 Ca 0.08 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 1wgv n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgv h PRO 121 N 0.00 -0.28 -0.65 1.61 0.13 -2.07 -3.36 132.00 127.38 1wgv h PRO 121 Ca 0.00 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1wgv h PRO 121 Cb 0.00 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.10 1wgv h PRO 121 CO 0.00 -0.19 -0.51 1.03 -0.23 0.00 0.00 178.00 178.11 1wgv h SER 122 N -0.94 -1.79 -3.78 1.44 0.87 -2.07 -3.47 113.55 103.81 1wgv h SER 122 Ca -0.03 0.26 0.13 0.00 -1.23 0.00 0.00 61.79 60.92 1wgv h SER 122 Cb 0.23 0.77 -0.07 0.00 -0.44 0.00 0.00 62.40 62.88 1wgv h SER 122 CO 0.05 -0.27 -1.04 -0.24 -0.53 0.00 0.00 176.83 174.80 1wgv n SER 123 N -5.00 -7.74 0.00 6.23 2.88 -1.26 -5.15 113.62 103.57 1wgv n SER 123 Ca -0.00 1.62 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1wgv n SER 123 Cb 0.26 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.00 1wgv n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42