#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 1.23 -0.41 1.61 0.15 -1.26 -5.11 113.70 109.91 1wgv s SER 2 Ca 0.00 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 56.00 1wgv s SER 2 Cb 0.00 0.02 0.17 0.00 -1.71 0.00 0.00 66.02 64.49 1wgv s SER 2 CO 0.00 -0.22 0.41 -0.44 1.20 0.00 0.00 173.24 174.19 1wgv s SER 3 N -2.01 0.93 0.25 5.45 0.01 -1.26 -5.08 113.70 111.99 1wgv s SER 3 Ca -0.02 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1wgv s SER 3 Cb -0.06 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1wgv s SER 3 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1wgv n GLY 4 N 3.50 -4.75 2.79 3.44 0.00 -1.26 -5.03 105.19 103.88 1wgv n GLY 4 Ca 0.19 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 1wgv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgv s SER 5 N -1.30 1.31 0.17 1.61 1.04 -1.26 -4.99 113.70 110.27 1wgv s SER 5 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1wgv s SER 5 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1wgv s SER 5 CO 0.00 -0.35 0.00 -1.20 0.98 0.00 0.00 173.24 172.67 1wgv n SER 6 N 5.06 0.50 -3.31 7.02 7.64 -1.26 -5.08 113.62 124.20 1wgv n SER 6 Ca 0.02 0.27 -0.15 0.00 1.01 0.00 0.00 58.87 60.01 1wgv n SER 6 Cb 0.47 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.70 1wgv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgv n GLY 7 N 2.62 -1.16 3.61 0.23 0.00 -1.26 -4.88 105.19 104.36 1wgv n GLY 7 Ca 0.00 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 1wgv n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wgv s GLN 8 N -4.41 3.64 -0.01 1.61 0.74 -1.26 -4.98 119.66 114.98 1wgv s GLN 8 Ca 0.36 1.34 0.07 0.00 0.05 0.00 0.00 55.36 57.17 1wgv s GLN 8 Cb -0.07 -4.05 -0.02 0.00 1.10 0.00 0.00 33.01 29.98 1wgv s GLN 8 CO 0.77 -1.48 -0.22 0.21 -0.55 0.00 0.00 175.29 174.02 1wgv s LYS 9 N 4.91 1.77 -0.15 1.67 2.36 -1.26 -5.13 119.74 123.90 1wgv s LYS 9 Ca 0.68 -0.81 -0.22 0.00 -2.55 0.00 0.00 55.97 53.07 1wgv s LYS 9 Cb -0.20 -1.73 0.06 0.00 -1.05 0.00 0.00 37.83 34.91 1wgv s LYS 9 CO 0.30 0.47 0.57 0.54 1.55 0.00 0.00 175.35 178.79 1wgv s ASN 10 N -0.59 -0.57 -0.03 1.43 4.22 -1.26 -4.93 114.94 113.22 1wgv s ASN 10 Ca 0.09 0.93 -0.23 0.00 -2.14 0.00 0.00 52.86 51.50 1wgv s ASN 10 Cb -0.09 0.92 -0.22 0.00 1.28 0.00 0.00 41.25 43.14 1wgv s ASN 10 CO -0.01 -0.33 1.08 1.55 -2.04 0.00 0.00 177.10 177.35 1wgv h PRO 11 N 4.50 0.23 0.00 3.55 0.13 -2.00 -3.47 132.00 134.94 1wgv h PRO 11 Ca -0.28 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wgv h PRO 11 Cb 1.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wgv h PRO 11 CO 0.23 0.92 0.00 -0.25 -0.23 0.00 0.00 178.00 178.67 1wgv n ASP 12 N -4.48 -1.28 -3.12 1.44 8.00 -1.26 -5.04 116.55 110.81 1wgv n ASP 12 Ca -0.09 0.47 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1wgv n ASP 12 Cb 0.51 1.35 -0.05 0.00 -0.02 0.00 0.00 41.12 42.90 1wgv n ASP 12 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wgv s SER 13 N -3.85 0.16 0.16 -2.24 0.15 -1.26 -4.96 113.70 101.87 1wgv s SER 13 Ca 0.00 -2.45 -0.27 0.00 0.70 0.00 0.00 55.95 53.93 1wgv s SER 13 Cb 0.00 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wgv s SER 13 CO 0.00 -0.12 1.57 0.22 1.20 0.00 0.00 173.24 176.11 1wgv h TYR 14 N 5.41 -1.24 -2.83 3.44 5.03 -1.93 -3.37 116.97 121.48 1wgv h TYR 14 Ca 0.17 0.07 -0.53 0.00 2.58 0.00 0.00 58.73 61.03 1wgv h TYR 14 Cb 1.00 0.60 -0.40 0.00 1.55 0.00 0.00 36.73 39.48 1wgv h TYR 14 CO 0.19 -0.44 -0.78 1.21 -1.32 0.00 0.00 178.16 177.03 1wgv s ASN 15 N -5.06 3.45 0.00 -2.11 2.47 -1.26 -5.11 114.94 107.32 1wgv s ASN 15 Ca -0.15 -1.24 0.00 0.00 0.42 0.00 0.00 52.86 51.89 1wgv s ASN 15 Cb 0.12 -0.37 0.00 0.00 -1.45 0.00 0.00 41.25 39.55 1wgv s ASN 15 CO 0.65 -0.43 0.00 0.61 -3.72 0.00 0.00 177.10 174.22 1wgv n GLY 16 N 5.23 -1.28 3.74 1.21 0.00 -1.26 -5.03 105.19 107.80 1wgv n GLY 16 Ca -0.06 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.91 3.72 -0.11 4.61 0.00 -1.26 -5.00 121.76 121.81 1wgv s ALA 17 Ca 0.00 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 1wgv s ALA 17 Cb 0.00 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1wgv s ALA 17 CO 0.00 -0.82 0.29 0.08 0.00 0.00 0.00 175.76 175.31 1wgv s VAL 18 N 0.41 -0.01 0.16 0.00 1.01 -1.26 -4.56 120.40 116.16 1wgv s VAL 18 Ca 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1wgv s VAL 18 Cb -0.44 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1wgv s VAL 18 CO 0.40 0.01 0.14 -0.13 0.00 0.00 0.00 175.10 175.52 1wgv s ARG 19 N 0.36 1.08 -0.98 2.72 1.81 -1.26 -5.05 118.95 117.63 1wgv s ARG 19 Ca -0.02 -1.44 -0.06 0.00 -1.72 0.00 0.00 55.73 52.50 1wgv s ARG 19 Cb -0.03 0.29 0.02 0.00 -0.45 0.00 0.00 34.95 34.78 1wgv s ARG 19 CO -0.01 -0.35 2.74 -0.85 -0.68 0.00 0.00 175.30 176.14 1wgv n GLU 20 N -0.18 3.55 0.17 3.54 0.28 -1.26 -3.93 120.64 122.81 1wgv n GLU 20 Ca -0.03 -2.65 0.00 0.00 -0.16 0.00 0.00 57.16 54.31 1wgv n GLU 20 Cb 0.64 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 31.06 1wgv n GLU 20 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wgv n ASN 21 N 1.90 -1.85 -3.64 -1.84 5.15 -1.26 -5.13 115.26 108.59 1wgv n ASN 21 Ca 0.59 0.62 -0.05 0.00 -0.60 0.00 0.00 54.58 55.15 1wgv n ASN 21 Cb 0.41 1.86 -0.07 0.00 -0.53 0.00 0.00 39.78 41.44 1wgv n ASN 21 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1wgv s TYR 22 N -2.00 -0.81 0.28 1.20 -0.85 -1.25 -4.70 117.35 109.22 1wgv s TYR 22 Ca 0.00 1.62 -0.14 0.00 -0.52 0.00 0.00 57.07 58.03 1wgv s TYR 22 Cb 0.00 0.48 -0.08 0.00 0.38 0.00 0.00 41.96 42.74 1wgv s TYR 22 CO 0.00 -0.40 0.69 0.99 -1.52 0.00 0.00 175.55 175.31 1wgv s THR 23 N 1.45 4.72 0.11 -3.49 2.01 -1.15 -4.55 115.64 114.75 1wgv s THR 23 Ca -0.09 0.89 -0.08 0.00 0.31 0.00 0.00 61.69 62.72 1wgv s THR 23 Cb -0.04 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1wgv s THR 23 CO -0.17 -0.09 0.21 -1.66 -0.69 0.00 0.00 174.62 172.22 1wgv s TRP 24 N -1.86 0.26 0.22 4.92 1.48 -1.26 -1.60 118.94 121.11 1wgv s TRP 24 Ca 0.50 -0.67 -0.09 0.00 -1.06 0.00 0.00 56.10 54.78 1wgv s TRP 24 Cb -0.11 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.10 1wgv s TRP 24 CO 0.19 -0.60 0.36 -1.54 -4.06 0.00 0.00 176.95 171.30 1wgv s SER 25 N -2.90 -0.01 -0.01 -2.66 1.04 -0.25 -4.82 113.70 104.10 1wgv s SER 25 Ca 0.10 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.53 1wgv s SER 25 Cb 0.05 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1wgv s SER 25 CO -0.07 -1.03 -0.18 0.00 0.98 0.00 0.00 173.24 172.94 1wgv s GLN 26 N -4.05 1.46 0.38 4.02 0.00 -1.26 -3.00 119.66 117.20 1wgv s GLN 26 Ca 0.27 -0.67 0.05 0.00 -0.00 0.00 0.00 55.36 55.01 1wgv s GLN 26 Cb 0.02 -1.42 -0.02 0.00 0.00 0.00 0.00 33.01 31.59 1wgv s GLN 26 CO 0.09 0.39 0.17 -0.40 0.00 0.00 0.00 175.29 175.54 1wgv n ASP 27 N 2.58 0.79 -0.28 12.60 5.68 -0.91 -5.03 116.55 131.98 1wgv n ASP 27 Ca -0.15 -3.09 -0.07 0.00 -0.50 0.00 0.00 54.79 50.98 1wgv n ASP 27 Cb 0.54 1.13 -0.07 0.00 -1.14 0.00 0.00 41.12 41.58 1wgv n ASP 27 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1wgv n TYR 28 N -0.82 -0.29 -3.06 2.11 4.02 -1.26 -3.86 117.16 114.00 1wgv n TYR 28 Ca -0.03 0.83 -0.17 0.00 -0.01 0.00 0.00 57.90 58.53 1wgv n TYR 28 Cb 0.59 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 39.33 1wgv n TYR 28 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1wgv n THR 29 N -4.58 -0.56 0.00 -0.72 -2.24 -1.26 -4.94 114.28 99.99 1wgv n THR 29 Ca 0.01 -2.56 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 1wgv n THR 29 Cb 0.17 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1wgv n THR 29 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wgv n ASP 30 N 2.33 0.00 -4.17 3.42 2.03 -1.25 -4.68 116.55 114.23 1wgv n ASP 30 Ca 0.21 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.30 1wgv n ASP 30 Cb 0.54 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.80 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wgv s LEU 31 N 0.00 2.17 -0.18 -2.67 1.02 -1.07 -2.15 118.68 115.80 1wgv s LEU 31 Ca 0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.67 1wgv s LEU 31 Cb 0.00 -0.71 0.05 0.00 0.02 0.00 0.00 46.19 45.55 1wgv s LEU 31 CO 0.00 0.07 -0.03 -1.61 0.02 0.00 0.00 176.35 174.80 1wgv s GLU 32 N -1.13 1.29 -0.19 1.70 2.02 -1.16 -2.97 118.70 118.26 1wgv s GLU 32 Ca 0.03 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1wgv s GLU 32 Cb -0.08 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.05 1wgv s GLU 32 CO 0.01 -0.51 -0.14 0.54 0.02 0.00 0.00 175.26 175.19 1wgv s VAL 33 N 1.64 1.78 -0.19 2.63 0.11 -1.23 -1.09 120.40 124.05 1wgv s VAL 33 Ca -0.01 -0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 58.03 1wgv s VAL 33 Cb -0.16 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 1wgv s VAL 33 CO -0.07 0.32 0.02 -0.13 -3.33 0.00 0.00 175.10 171.91 1wgv s ARG 34 N 1.37 3.74 -0.16 1.54 0.52 -0.63 -3.12 118.95 122.20 1wgv s ARG 34 Ca 0.01 -0.46 -0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1wgv s ARG 34 Cb -0.15 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1wgv s ARG 34 CO -0.10 0.10 0.00 0.08 0.02 0.00 0.00 175.30 175.41 1wgv s VAL 35 N 0.78 4.27 0.25 3.52 1.01 -0.34 -2.92 120.40 126.98 1wgv s VAL 35 Ca 0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1wgv s VAL 35 Cb -0.14 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 1wgv s VAL 35 CO 0.02 0.48 1.09 -2.16 0.00 0.00 0.00 175.10 174.53 1wgv s PRO 36 N 0.33 4.65 0.23 2.72 0.04 -1.26 0.19 135.00 141.89 1wgv s PRO 36 Ca -0.01 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1wgv s PRO 36 Cb -0.13 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1wgv s PRO 36 CO 0.02 0.20 -0.17 0.14 0.04 0.00 0.00 177.00 177.23 1wgv s VAL 37 N -0.95 2.03 1.06 -0.36 -7.23 -0.99 -4.86 120.40 109.10 1wgv s VAL 37 Ca 0.45 -2.24 -0.17 0.00 -1.81 0.00 0.00 61.98 58.22 1wgv s VAL 37 Cb -0.31 -2.11 0.23 0.00 0.56 0.00 0.00 36.38 34.75 1wgv s VAL 37 CO 0.39 -0.47 1.21 -2.16 -0.31 0.00 0.00 175.10 173.75 1wgv s PRO 38 N -3.45 -0.10 -0.02 4.82 0.04 -1.26 -4.40 135.00 130.62 1wgv s PRO 38 Ca 0.24 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.16 1wgv s PRO 38 Cb -0.03 -1.74 0.21 0.00 0.04 0.00 0.00 34.50 32.98 1wgv s PRO 38 CO 0.10 -2.95 1.09 1.63 0.04 0.00 0.00 177.00 176.91 1wgv n LYS 39 N -4.19 1.67 0.00 4.56 4.76 -1.26 -2.90 118.16 120.79 1wgv n LYS 39 Ca 0.13 -0.83 0.04 0.00 -2.87 0.00 0.00 58.31 54.78 1wgv n LYS 39 Cb 0.59 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 32.49 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 0.16 0.00 -3.41 2.13 1.44 -1.26 -4.81 115.22 109.46 1wgv n HIS 40 Ca 0.08 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.35 1wgv n HIS 40 Cb 0.27 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.04 5.01 0.00 0.61 1.01 -1.14 -4.78 120.40 120.07 1wgv s VAL 41 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1wgv s VAL 41 Cb 0.06 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1wgv s VAL 41 CO 0.17 -0.64 0.00 1.33 0.00 0.00 0.00 175.10 175.96 1wgv n VAL 42 N 5.15 0.00 -2.87 2.92 0.24 -1.26 -1.95 118.33 120.56 1wgv n VAL 42 Ca -0.12 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.78 1wgv n VAL 42 Cb 0.43 -0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 32.34 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 -1.73 4.70 0.00 7.34 1.02 -1.26 -4.35 119.74 125.45 1wgv s LYS 43 Ca 0.00 1.31 0.22 0.00 0.02 0.00 0.00 55.97 57.52 1wgv s LYS 43 Cb 0.00 -3.28 1.24 0.00 -0.52 0.00 0.00 37.83 35.27 1wgv s LYS 43 CO 0.00 0.52 1.68 0.41 -0.92 0.00 0.00 175.35 177.04 1wgv n GLY 44 N 1.62 -0.77 0.01 -3.33 0.00 -1.26 -1.81 105.19 99.65 1wgv n GLY 44 Ca -0.04 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.08 0.05 -0.59 1.61 -0.00 -1.26 -3.75 118.16 113.15 1wgv n LYS 45 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.52 1wgv n LYS 45 Cb 0.10 -1.52 0.29 0.00 -0.00 0.00 0.00 35.03 33.90 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 -1.59 3.56 -3.71 -1.58 6.02 -0.75 -4.81 117.38 114.52 1wgv n GLN 46 Ca 0.05 -2.28 -0.12 0.00 -0.01 0.00 0.00 57.00 54.64 1wgv n GLN 46 Cb 0.35 -1.93 -0.12 0.00 1.02 0.00 0.00 30.24 29.56 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 -2.08 -0.07 -0.26 5.09 -7.23 -1.25 0.16 120.40 114.77 1wgv s VAL 47 Ca 0.40 0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 1wgv s VAL 47 Cb 0.29 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.72 1wgv s VAL 47 CO 0.15 0.06 0.16 -0.44 -0.31 0.00 0.00 175.10 174.71 1wgv s SER 48 N 1.40 5.85 -0.06 4.85 0.01 0.54 -4.95 113.70 121.34 1wgv s SER 48 Ca -0.09 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1wgv s SER 48 Cb -0.10 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1wgv s SER 48 CO -0.10 -0.02 -0.13 -0.69 0.41 0.00 0.00 173.24 172.71 1wgv s VAL 49 N 1.57 1.16 -0.21 3.43 1.01 -1.26 -0.66 120.40 125.44 1wgv s VAL 49 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1wgv s VAL 49 Cb -0.15 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.24 1wgv s VAL 49 CO 0.08 0.35 -0.05 0.00 0.00 0.00 0.00 175.10 175.49 1wgv s ALA 50 N 0.50 1.75 -0.30 5.51 0.00 -0.96 -4.94 121.76 123.31 1wgv s ALA 50 Ca -0.11 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 1wgv s ALA 50 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1wgv s ALA 50 CO 0.03 -1.04 0.55 -0.51 0.00 0.00 0.00 175.76 174.79 1wgv s LEU 51 N 1.50 4.15 0.39 0.00 1.43 -1.26 -1.28 118.68 123.62 1wgv s LEU 51 Ca -0.03 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1wgv s LEU 51 Cb -0.17 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 1wgv s LEU 51 CO -0.07 -0.40 0.07 -0.44 0.23 0.00 0.00 176.35 175.74 1wgv s SER 52 N 1.63 4.12 0.21 2.29 0.01 -0.83 -4.93 113.70 116.20 1wgv s SER 52 Ca 0.22 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.32 1wgv s SER 52 Cb -0.15 -0.45 0.16 0.00 0.21 0.00 0.00 66.02 65.79 1wgv s SER 52 CO 0.11 -0.43 1.50 0.28 0.41 0.00 0.00 173.24 175.11 1wgv h SER 53 N 1.67 0.33 -0.41 2.44 0.02 -1.97 -3.33 113.55 112.30 1wgv h SER 53 Ca -0.43 -0.20 -0.25 0.00 -0.84 0.00 0.00 61.79 60.06 1wgv h SER 53 Cb 1.25 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.29 1wgv h SER 53 CO 0.74 0.90 -1.09 -1.54 -1.14 0.00 0.00 176.83 174.70 1wgv n SER 54 N -3.83 1.74 -3.56 3.07 3.41 -1.26 0.15 113.62 113.34 1wgv n SER 54 Ca -0.03 -2.15 -0.03 0.00 -0.26 0.00 0.00 58.87 56.40 1wgv n SER 54 Cb 0.67 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1wgv n SER 54 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wgv s SER 55 N -3.61 -0.09 -0.05 4.04 0.01 -1.25 -0.68 113.70 112.07 1wgv s SER 55 Ca 0.29 -0.52 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 1wgv s SER 55 Cb 0.33 0.48 0.10 0.00 0.21 0.00 0.00 66.02 67.14 1wgv s SER 55 CO -0.05 -0.92 0.81 -0.51 0.41 0.00 0.00 173.24 172.99 1wgv s ILE 56 N -2.72 0.00 -0.02 1.44 -1.16 -1.14 -1.97 121.20 115.63 1wgv s ILE 56 Ca 0.17 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.32 1wgv s ILE 56 Cb -0.02 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 42.06 1wgv s ILE 56 CO 0.03 0.00 -0.03 -0.60 -2.81 0.00 0.00 174.94 171.53 1wgv s ARG 57 N -1.93 0.38 -0.23 3.50 3.52 -0.41 -2.71 118.95 121.07 1wgv s ARG 57 Ca -0.03 -0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 1wgv s ARG 57 Cb -0.00 -0.43 0.09 0.00 -1.56 0.00 0.00 34.95 33.04 1wgv s ARG 57 CO 0.00 0.00 0.14 0.08 -0.81 0.00 0.00 175.30 174.71 1wgv s VAL 58 N 0.36 -0.14 0.10 7.11 1.01 0.44 -2.27 120.40 127.01 1wgv s VAL 58 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1wgv s VAL 58 Cb -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1wgv s VAL 58 CO -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 175.10 174.51 1wgv s ALA 59 N 2.17 1.20 -0.02 5.51 0.00 0.16 0.89 121.76 131.68 1wgv s ALA 59 Ca 0.06 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1wgv s ALA 59 Cb -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1wgv s ALA 59 CO -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 175.76 175.43 1wgv s MET 60 N -2.73 0.89 0.14 0.00 0.23 0.14 -0.33 119.30 117.63 1wgv s MET 60 Ca 0.06 -0.33 -0.30 0.00 -1.03 0.00 0.00 55.69 54.08 1wgv s MET 60 Cb -0.04 -0.85 -0.07 0.00 -1.53 0.00 0.00 34.83 32.35 1wgv s MET 60 CO 0.01 0.17 1.18 -0.51 -2.03 0.00 0.00 175.02 173.83 1wgv s LEU 61 N -0.03 4.43 -0.09 0.18 1.43 0.43 -0.55 118.68 124.49 1wgv s LEU 61 Ca 0.00 2.13 -0.08 0.00 -1.03 0.00 0.00 54.13 55.15 1wgv s LEU 61 Cb -0.06 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1wgv s LEU 61 CO 0.00 -0.38 -0.16 -0.62 0.23 0.00 0.00 176.35 175.42 1wgv n GLU 62 N 3.01 0.26 0.04 1.70 -0.58 -0.75 -4.93 120.64 119.39 1wgv n GLU 62 Ca 0.06 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1wgv n GLU 62 Cb 0.46 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 1wgv n GLU 62 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wgv n GLU 63 N -3.47 0.00 0.00 3.49 1.02 -1.26 -4.92 120.64 115.50 1wgv n GLU 63 Ca -0.07 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1wgv n GLU 63 Cb 0.24 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 31.96 1wgv n GLU 63 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wgv n ASN 64 N -2.36 0.83 0.00 1.62 5.15 -1.26 -4.97 115.26 114.26 1wgv n ASN 64 Ca 0.00 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 1wgv n ASN 64 Cb 0.00 0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 1.41 2.74 3.13 8.20 0.00 -1.26 -5.19 105.19 114.23 1wgv n GLY 65 Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1wgv n GLY 65 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wgv n GLU 66 N 0.00 0.95 -3.80 1.61 0.00 -1.26 -1.81 120.64 116.32 1wgv n GLU 66 Ca 0.00 -1.85 -0.13 0.00 0.00 0.00 0.00 57.16 55.18 1wgv n GLU 66 Cb 0.00 2.31 -0.12 0.00 0.00 0.00 0.00 31.44 33.64 1wgv n GLU 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1wgv s ARG 67 N -2.07 0.27 -0.60 3.44 3.52 0.28 -4.82 118.95 118.97 1wgv s ARG 67 Ca 0.13 0.26 -0.21 0.00 -0.13 0.00 0.00 55.73 55.78 1wgv s ARG 67 Cb -0.04 0.13 0.07 0.00 -1.56 0.00 0.00 34.95 33.55 1wgv s ARG 67 CO 0.10 -0.04 0.83 0.08 -0.81 0.00 0.00 175.30 175.46 1wgv s VAL 68 N 0.02 4.56 0.04 7.11 1.01 -1.26 0.26 120.40 132.13 1wgv s VAL 68 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.30 1wgv s VAL 68 Cb -0.02 -4.54 -0.15 0.00 0.00 0.00 0.00 36.38 31.67 1wgv s VAL 68 CO 0.00 -1.20 1.44 -0.07 0.00 0.00 0.00 175.10 175.28 1wgv h LEU 69 N 10.64 0.15 -7.43 3.92 3.38 0.16 -3.45 115.31 122.68 1wgv h LEU 69 Ca -0.28 -0.34 -0.21 0.00 0.09 0.00 0.00 57.88 57.14 1wgv h LEU 69 Cb 1.08 -0.04 -0.29 0.00 0.09 0.00 0.00 40.66 41.50 1wgv h LEU 69 CO 1.11 0.45 -0.53 -0.32 0.09 0.00 0.00 178.44 179.25 1wgv s MET 70 N -4.86 0.17 -0.11 1.13 0.00 -0.31 -4.66 119.30 110.66 1wgv s MET 70 Ca -0.15 0.40 -0.30 0.00 0.00 0.00 0.00 55.69 55.64 1wgv s MET 70 Cb 0.04 -0.07 0.10 0.00 0.00 0.00 0.00 34.83 34.90 1wgv s MET 70 CO 0.70 -0.12 0.84 -2.00 0.00 0.00 0.00 175.02 174.43 1wgv s GLU 71 N 0.87 0.83 0.00 4.11 -6.30 -1.26 0.16 118.70 117.11 1wgv s GLU 71 Ca -0.06 0.23 0.00 0.00 -2.50 0.00 0.00 54.97 52.63 1wgv s GLU 71 Cb -0.08 0.39 0.00 0.00 0.00 0.00 0.00 34.13 34.44 1wgv s GLU 71 CO -0.05 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.39 1wgv n GLY 72 N 0.89 3.94 3.76 -1.50 0.00 -1.10 -5.04 105.19 106.14 1wgv n GLY 72 Ca -0.15 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 1wgv n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgv s LYS 73 N -2.67 4.52 0.89 1.61 -2.85 -1.26 -2.87 119.74 117.11 1wgv s LYS 73 Ca 0.00 1.97 -0.12 0.00 -1.00 0.00 0.00 55.97 56.82 1wgv s LYS 73 Cb 0.00 -3.15 0.12 0.00 -2.06 0.00 0.00 37.83 32.75 1wgv s LYS 73 CO 0.00 0.04 1.13 -0.51 0.10 0.00 0.00 175.35 176.11 1wgv s LEU 74 N -1.50 2.13 -0.04 2.77 1.43 0.14 -2.10 118.68 121.51 1wgv s LEU 74 Ca 0.47 1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 54.36 1wgv s LEU 74 Cb -0.35 -3.39 -0.29 0.00 0.03 0.00 0.00 46.19 42.19 1wgv s LEU 74 CO 0.45 -2.42 0.93 0.71 0.23 0.00 0.00 176.35 176.26 1wgv h THR 75 N -1.41 1.52 -2.85 5.49 1.35 -1.55 -3.41 112.91 112.05 1wgv h THR 75 Ca -0.50 -2.40 -0.45 0.00 -0.55 0.00 0.00 66.41 62.51 1wgv h THR 75 Cb 1.32 3.08 -0.14 0.00 -1.73 0.00 0.00 68.15 70.68 1wgv h THR 75 CO 0.62 0.68 -0.72 -1.00 -0.25 0.00 0.00 175.52 174.85 1wgv s HIS 76 N -2.61 1.75 1.04 4.73 3.76 -1.26 -5.03 115.29 117.67 1wgv s HIS 76 Ca -0.14 -0.61 -0.12 0.00 -0.15 0.00 0.00 55.06 54.03 1wgv s HIS 76 Cb 0.01 -0.86 0.21 0.00 1.11 0.00 0.00 32.58 33.05 1wgv s HIS 76 CO 0.81 0.33 1.07 0.15 -0.85 0.00 0.00 174.74 176.25 1wgv s LYS 77 N -3.67 0.08 0.00 1.40 -0.14 -1.26 -4.64 119.74 111.51 1wgv s LYS 77 Ca 0.24 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.58 1wgv s LYS 77 Cb 0.00 -1.68 0.00 0.00 -1.68 0.00 0.00 37.83 34.47 1wgv s LYS 77 CO 0.08 -3.02 0.00 0.44 -0.76 0.00 0.00 175.35 172.09 1wgv n ILE 78 N -4.41 0.00 -3.88 2.17 -6.64 0.41 -4.39 119.36 102.62 1wgv n ILE 78 Ca 0.05 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.74 1wgv n ILE 78 Cb 0.56 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.63 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 -0.27 4.36 0.31 7.28 3.84 0.34 -4.66 114.94 126.14 1wgv s ASN 79 Ca 0.00 -3.35 0.07 0.00 0.21 0.00 0.00 52.86 49.80 1wgv s ASN 79 Cb 0.00 -1.53 0.82 0.00 -0.55 0.00 0.00 41.25 39.99 1wgv s ASN 79 CO 0.00 -0.17 1.72 0.71 -2.79 0.00 0.00 177.10 176.57 1wgv h THR 80 N 4.96 0.53 0.20 -5.21 1.35 -1.84 1.26 112.91 114.15 1wgv h THR 80 Ca 0.04 -0.18 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1wgv h THR 80 Cb 0.84 -0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.17 1wgv h THR 80 CO 0.67 0.10 -0.30 -0.33 -0.25 0.00 0.00 175.52 175.41 1wgv h GLU 81 N 0.54 -0.55 0.00 4.72 5.08 -1.96 -1.71 114.58 120.70 1wgv h GLU 81 Ca 0.61 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.94 1wgv h GLU 81 Cb 1.15 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1wgv h GLU 81 CO -0.48 -0.37 -0.34 0.77 -1.00 0.00 0.00 179.01 177.59 1wgv h SER 82 N -0.57 0.00 -3.78 1.42 0.02 -1.42 -3.43 113.55 105.79 1wgv h SER 82 Ca 0.01 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.46 1wgv h SER 82 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1wgv h SER 82 CO -0.13 0.34 0.42 -0.44 -1.14 0.00 0.00 176.83 175.88 1wgv s SER 83 N -6.41 7.45 0.35 3.07 0.01 0.42 -4.75 113.70 113.84 1wgv s SER 83 Ca -0.00 2.12 0.06 0.00 1.31 0.00 0.00 55.95 59.44 1wgv s SER 83 Cb 0.11 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1wgv s SER 83 CO 0.68 -0.00 0.24 -1.48 0.41 0.00 0.00 173.24 173.09 1wgv s LEU 84 N -1.31 1.81 -0.03 2.44 0.05 -0.58 -4.80 118.68 116.27 1wgv s LEU 84 Ca 0.43 -1.75 -0.30 0.00 0.05 0.00 0.00 54.13 52.56 1wgv s LEU 84 Cb -0.29 0.38 0.07 0.00 -2.05 0.00 0.00 46.19 44.30 1wgv s LEU 84 CO 0.37 -1.04 0.67 -1.66 -0.55 0.00 0.00 176.35 174.13 1wgv s TRP 85 N -3.38 -0.64 0.05 3.48 1.48 -1.26 -0.36 118.94 118.31 1wgv s TRP 85 Ca 0.36 1.04 -0.02 0.00 -1.06 0.00 0.00 56.10 56.42 1wgv s TRP 85 Cb 0.02 0.42 -0.03 0.00 -1.16 0.00 0.00 33.47 32.71 1wgv s TRP 85 CO 0.24 -0.63 -0.00 -1.12 -4.06 0.00 0.00 176.95 171.38 1wgv s SER 86 N -1.32 0.42 -0.04 -2.66 0.01 0.28 -5.00 113.70 105.39 1wgv s SER 86 Ca -0.10 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.29 1wgv s SER 86 Cb -0.00 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1wgv s SER 86 CO 0.08 -0.59 -0.14 -0.22 0.41 0.00 0.00 173.24 172.78 1wgv s LEU 87 N -2.77 2.74 -0.07 2.44 1.98 -1.26 -1.95 118.68 119.79 1wgv s LEU 87 Ca 0.05 -0.22 0.05 0.00 -2.89 0.00 0.00 54.13 51.12 1wgv s LEU 87 Cb 0.06 -1.56 -0.00 0.00 0.66 0.00 0.00 46.19 45.34 1wgv s LEU 87 CO -0.09 0.33 -0.21 -1.61 -1.89 0.00 0.00 176.35 172.88 1wgv s GLU 88 N -0.83 2.39 -0.19 1.98 2.02 -1.13 -4.97 118.70 117.98 1wgv s GLU 88 Ca 0.12 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1wgv s GLU 88 Cb -0.11 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 1wgv s GLU 88 CO 0.01 0.26 1.29 -1.25 0.02 0.00 0.00 175.26 175.59 1wgv s PRO 89 N 0.10 4.16 -1.24 0.39 0.04 -1.26 -3.44 135.00 133.76 1wgv s PRO 89 Ca -0.09 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1wgv s PRO 89 Cb -0.14 -3.80 -0.00 0.00 0.04 0.00 0.00 34.50 30.59 1wgv s PRO 89 CO 0.05 -0.80 0.87 0.41 0.04 0.00 0.00 177.00 177.56 1wgv n GLY 90 N 3.78 -0.38 0.00 0.56 0.00 -0.82 -4.89 105.19 103.44 1wgv n GLY 90 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1wgv n GLY 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wgv n LYS 91 N -4.15 0.00 -3.83 1.61 4.81 -1.22 -4.97 118.16 110.41 1wgv n LYS 91 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.10 1wgv n LYS 91 Cb 0.67 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.73 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wgv s VAL 93 N -2.79 4.86 -0.11 0.00 1.01 0.50 -2.86 120.40 121.02 1wgv s VAL 93 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1wgv s VAL 93 Cb -0.04 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1wgv s VAL 93 CO 0.07 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.47 1wgv s LEU 94 N -0.71 3.15 -0.05 3.92 1.98 -0.83 -1.20 118.68 124.94 1wgv s LEU 94 Ca 0.12 -0.10 -0.01 0.00 -2.89 0.00 0.00 54.13 51.25 1wgv s LEU 94 Cb -0.12 -1.72 0.03 0.00 0.66 0.00 0.00 46.19 45.04 1wgv s LEU 94 CO 0.03 0.26 0.01 -0.69 -1.89 0.00 0.00 176.35 174.06 1wgv s VAL 95 N -0.18 0.25 -0.32 1.68 1.01 -1.18 -0.55 120.40 121.10 1wgv s VAL 95 Ca 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1wgv s VAL 95 Cb -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1wgv s VAL 95 CO 0.03 0.21 0.14 0.20 0.00 0.00 0.00 175.10 175.68 1wgv s ASN 96 N 1.67 5.47 -0.26 3.32 -0.87 0.51 -3.47 114.94 121.32 1wgv s ASN 96 Ca -0.00 -0.69 -0.09 0.00 -1.57 0.00 0.00 52.86 50.51 1wgv s ASN 96 Cb -0.13 -1.97 -0.04 0.00 -0.02 0.00 0.00 41.25 39.09 1wgv s ASN 96 CO -0.03 -0.24 0.13 -0.76 -2.57 0.00 0.00 177.10 173.63 1wgv s LEU 97 N 1.56 3.73 -0.22 0.60 1.43 -1.16 -1.52 118.68 123.10 1wgv s LEU 97 Ca 0.03 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1wgv s LEU 97 Cb -0.18 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1wgv s LEU 97 CO 0.05 -0.04 0.25 -0.44 0.23 0.00 0.00 176.35 176.40 1wgv s SER 98 N 1.65 6.25 0.46 2.29 0.01 -1.26 -2.58 113.70 120.51 1wgv s SER 98 Ca 0.07 0.28 -0.21 0.00 1.31 0.00 0.00 55.95 57.40 1wgv s SER 98 Cb -0.15 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 1wgv s SER 98 CO 0.07 0.02 1.01 -0.54 0.41 0.00 0.00 173.24 174.22 1wgv s LYS 99 N 1.08 3.96 -0.44 12.44 1.02 -1.26 0.12 119.74 136.66 1wgv s LYS 99 Ca 0.12 1.30 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 1wgv s LYS 99 Cb -0.14 -2.16 0.24 0.00 -0.52 0.00 0.00 37.83 35.25 1wgv s LYS 99 CO 0.05 -0.28 2.17 1.33 -0.92 0.00 0.00 175.35 177.70 1wgv n VAL 100 N -0.79 3.10 -0.78 3.17 0.24 -1.26 -4.71 118.33 117.30 1wgv n VAL 100 Ca 0.08 -2.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 1wgv n VAL 100 Cb 0.53 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 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 0.15 0.64 3.37 7.63 0.00 -1.26 -5.02 105.19 110.69 1wgv n GLY 101 Ca 0.42 -1.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.00 3.33 0.14 1.61 2.02 -1.26 -5.01 118.70 117.53 1wgv s GLU 102 Ca 0.00 -1.82 0.07 0.00 0.02 0.00 0.00 54.97 53.23 1wgv s GLU 102 Cb 0.00 -4.45 -0.04 0.00 0.10 0.00 0.00 34.13 29.74 1wgv s GLU 102 CO 0.00 -1.48 -0.15 0.71 0.02 0.00 0.00 175.26 174.36 1wgv s TYR 103 N 1.75 1.51 -0.35 1.61 1.51 -1.26 -5.12 117.35 117.00 1wgv s TYR 103 Ca 0.17 -0.54 -0.10 0.00 -1.01 0.00 0.00 57.07 55.58 1wgv s TYR 103 Cb -0.16 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1wgv s TYR 103 CO -0.02 0.19 0.18 1.67 -1.11 0.00 0.00 175.55 176.46 1wgv s TRP 104 N -2.21 3.22 -0.26 2.71 1.48 -1.26 -4.98 118.94 117.65 1wgv s TRP 104 Ca 0.11 -0.86 -0.19 0.00 -1.06 0.00 0.00 56.10 54.10 1wgv s TRP 104 Cb -0.05 -2.40 -0.02 0.00 -1.16 0.00 0.00 33.47 29.85 1wgv s TRP 104 CO 0.04 -0.59 0.57 -1.58 -4.06 0.00 0.00 176.95 171.33 1wgv s TRP 105 N 1.56 3.27 -0.46 1.66 0.52 -1.26 -4.90 118.94 119.34 1wgv s TRP 105 Ca 0.03 0.72 0.23 0.00 0.02 0.00 0.00 56.10 57.09 1wgv s TRP 105 Cb -0.18 -2.78 0.06 0.00 -1.15 0.00 0.00 33.47 29.42 1wgv s TRP 105 CO 0.06 -0.31 1.04 0.27 0.02 0.00 0.00 176.95 178.04 1wgv n ASN 106 N 5.62 0.65 -3.50 2.95 0.23 -1.26 -4.94 115.26 115.01 1wgv n ASN 106 Ca -0.02 0.04 -0.10 0.00 -0.53 0.00 0.00 54.58 53.96 1wgv n ASN 106 Cb 0.49 0.67 -0.03 0.00 -2.08 0.00 0.00 39.78 38.83 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wgv s ALA 107 N -3.27 -1.79 -0.06 -2.53 0.00 -1.26 -2.29 121.76 110.55 1wgv s ALA 107 Ca 0.02 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 1wgv s ALA 107 Cb 0.13 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1wgv s ALA 107 CO 0.79 -0.62 0.25 0.82 0.00 0.00 0.00 175.76 177.01 1wgv h ILE 108 N 2.17 0.00 -2.64 0.00 1.08 -1.91 -3.40 117.51 112.81 1wgv h ILE 108 Ca -0.24 -0.72 -0.51 0.00 -0.39 0.00 0.00 64.86 63.00 1wgv h ILE 108 Cb 1.23 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1wgv h ILE 108 CO 0.33 0.00 -0.35 -0.76 -0.69 0.00 0.00 178.15 176.68 1wgv s LEU 109 N -8.15 4.22 0.17 1.44 1.43 -1.26 -1.73 118.68 114.80 1wgv s LEU 109 Ca -0.03 0.30 0.18 0.00 -1.03 0.00 0.00 54.13 53.55 1wgv s LEU 109 Cb 0.00 -3.09 0.81 0.00 0.03 0.00 0.00 46.19 43.95 1wgv s LEU 109 CO 0.09 -0.08 1.56 -0.62 0.23 0.00 0.00 176.35 177.52 1wgv n GLU 110 N -1.04 0.11 -1.76 1.70 1.02 -0.89 -2.25 120.64 117.53 1wgv n GLU 110 Ca -0.06 0.43 -0.31 0.00 -0.02 0.00 0.00 57.16 57.20 1wgv n GLU 110 Cb 0.55 -1.75 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 1wgv n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wgv n GLY 111 N -0.41 6.03 2.82 0.62 0.00 -1.26 -4.93 105.19 108.05 1wgv n GLY 111 Ca 0.02 -2.50 -0.22 0.00 0.00 0.00 0.00 46.02 43.31 1wgv n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgv s GLU 112 N -3.75 0.75 0.36 1.61 2.56 -0.95 -5.12 118.70 114.15 1wgv s GLU 112 Ca 0.57 0.01 -0.24 0.00 0.00 0.00 0.00 54.97 55.31 1wgv s GLU 112 Cb 0.46 -0.97 -0.14 0.00 2.00 0.00 0.00 34.13 35.47 1wgv s GLU 112 CO -0.07 -0.22 0.45 0.39 -0.56 0.00 0.00 175.26 175.25 1wgv n GLU 113 N 4.75 0.37 -1.55 4.30 1.02 -1.26 -4.75 120.64 123.52 1wgv n GLU 113 Ca -0.14 0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1wgv n GLU 113 Cb 0.50 -1.30 0.10 0.00 -0.02 0.00 0.00 31.44 30.73 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wgv s PRO 114 N -1.30 1.90 0.53 3.49 0.04 -1.26 -4.70 135.00 133.69 1wgv s PRO 114 Ca 0.62 0.57 0.06 0.00 0.04 0.00 0.00 61.00 62.30 1wgv s PRO 114 Cb -0.68 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.02 1wgv s PRO 114 CO 0.59 -1.73 0.53 0.44 0.04 0.00 0.00 177.00 176.88 1wgv n ILE 115 N -3.50 0.00 0.05 0.56 -5.35 -0.97 -4.99 119.36 105.17 1wgv n ILE 115 Ca 0.07 -1.95 0.00 0.00 -0.27 0.00 0.00 62.75 60.60 1wgv n ILE 115 Cb 0.57 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1wgv n ILE 115 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1wgv n ASP 116 N -2.06 0.43 0.00 7.28 -0.08 -1.26 -5.04 116.55 115.82 1wgv n ASP 116 Ca 0.05 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1wgv n ASP 116 Cb 0.58 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1wgv n ASP 116 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wgv n ILE 117 N -3.24 0.00 -1.71 5.18 -5.35 -1.26 -4.46 119.36 108.52 1wgv n ILE 117 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 1wgv n ILE 117 Cb 0.13 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.07 1wgv n ILE 117 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1wgv s ASP 118 N -3.06 5.47 0.35 7.28 1.01 -1.26 -4.85 116.67 121.61 1wgv s ASP 118 Ca 0.00 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.95 1wgv s ASP 118 Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1wgv s ASP 118 CO 0.00 -1.38 0.00 -1.20 0.21 0.00 0.00 175.17 172.80 1wgv n SER 119 N -2.80 -7.35 0.00 0.27 7.64 -1.26 -5.03 113.62 105.09 1wgv n SER 119 Ca 0.08 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1wgv n SER 119 Cb 0.53 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 1wgv n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgv n GLY 120 N -3.82 -2.32 3.69 0.23 0.00 -1.26 -4.87 105.19 96.84 1wgv n GLY 120 Ca -0.01 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1wgv n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgv s PRO 121 N -2.80 4.37 -0.14 1.61 0.04 -1.26 -4.99 135.00 131.83 1wgv s PRO 121 Ca 0.00 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1wgv s PRO 121 Cb 0.00 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 1wgv s PRO 121 CO 0.00 -0.39 1.02 -1.12 0.04 0.00 0.00 177.00 176.54 1wgv s SER 122 N 1.38 7.20 0.03 6.66 0.01 -1.26 -5.01 113.70 122.71 1wgv s SER 122 Ca 0.57 1.48 0.03 0.00 1.31 0.00 0.00 55.95 59.34 1wgv s SER 122 Cb -0.26 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1wgv s SER 122 CO 0.24 -0.51 -0.10 -0.44 0.41 0.00 0.00 173.24 172.84 1wgv s SER 123 N 1.13 1.10 0.00 2.44 0.01 -1.26 -5.25 113.70 111.88 1wgv s SER 123 Ca 0.47 -0.39 0.26 0.00 1.31 0.00 0.00 55.95 57.59 1wgv s SER 123 Cb -0.17 -0.05 0.54 0.00 0.21 0.00 0.00 66.02 66.55 1wgv s SER 123 CO 0.14 -0.04 1.46 0.61 0.41 0.00 0.00 173.24 175.82