#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wni s PRO 4 N 0.00 2.64 0.28 -1.08 0.04 -1.26 -4.76 135.00 130.85 1wni s PRO 4 Ca 0.00 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 1wni s PRO 4 Cb 0.00 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1wni s PRO 4 CO 0.00 -1.34 1.34 1.14 0.04 0.00 0.00 177.00 178.18 1wni s GLN 5 N -4.93 4.34 0.11 4.56 -2.07 -1.26 -4.83 119.66 115.58 1wni s GLN 5 Ca 0.60 2.20 0.04 0.00 -1.82 0.00 0.00 55.36 56.38 1wni s GLN 5 Cb -0.16 -3.11 -0.04 0.00 -1.09 0.00 0.00 33.01 28.62 1wni s GLN 5 CO 0.55 -0.26 -0.10 1.03 -1.32 0.00 0.00 175.29 175.19 1wni s ARG 6 N -1.05 0.90 -0.05 9.60 1.81 -0.72 -4.89 118.95 124.56 1wni s ARG 6 Ca 0.53 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 53.31 1wni s ARG 6 Cb -0.40 -0.57 0.02 0.00 -0.45 0.00 0.00 34.95 33.56 1wni s ARG 6 CO 0.47 0.08 -0.02 0.71 -0.68 0.00 0.00 175.30 175.87 1wni s TYR 7 N -2.65 0.58 -0.17 -0.53 1.51 -0.22 -1.42 117.35 114.44 1wni s TYR 7 Ca 0.08 -0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1wni s TYR 7 Cb -0.02 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.20 1wni s TYR 7 CO 0.00 -0.21 -0.06 0.42 -1.11 0.00 0.00 175.55 174.59 1wni s ILE 8 N 1.25 3.48 -0.45 2.71 1.01 0.19 -4.36 121.20 125.03 1wni s ILE 8 Ca -0.06 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 1wni s ILE 8 Cb -0.13 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.83 1wni s ILE 8 CO -0.02 0.47 0.62 -1.61 0.00 0.00 0.00 174.94 174.40 1wni s GLU 9 N 0.80 3.23 -0.13 2.79 0.41 -1.26 -0.47 118.70 124.07 1wni s GLU 9 Ca -0.02 -0.50 -0.03 0.00 -0.41 0.00 0.00 54.97 54.01 1wni s GLU 9 Cb -0.15 -3.98 -0.03 0.00 -1.78 0.00 0.00 34.13 28.20 1wni s GLU 9 CO 0.02 -1.03 -0.03 -1.17 -0.49 0.00 0.00 175.26 172.55 1wni s LEU 10 N 2.72 3.32 -0.15 1.80 2.96 0.12 -1.55 118.68 127.90 1wni s LEU 10 Ca 0.20 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1wni s LEU 10 Cb -0.15 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1wni s LEU 10 CO 0.17 0.23 0.06 0.00 -1.32 0.00 0.00 176.35 175.49 1wni s ALA 11 N 0.01 3.44 -0.10 5.97 0.00 -0.25 -0.54 121.76 130.30 1wni s ALA 11 Ca 0.01 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1wni s ALA 11 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1wni s ALA 11 CO 0.02 0.34 -0.24 0.42 0.00 0.00 0.00 175.76 176.31 1wni s ILE 12 N -0.11 2.03 -0.05 0.00 1.01 0.06 -2.06 121.20 122.07 1wni s ILE 12 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1wni s ILE 12 Cb -0.12 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 1wni s ILE 12 CO 0.01 0.55 -0.17 0.54 0.00 0.00 0.00 174.94 175.87 1wni s VAL 13 N 0.37 1.47 -0.16 2.92 0.11 -0.93 -1.41 120.40 122.77 1wni s VAL 13 Ca -0.18 -0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.11 1wni s VAL 13 Cb -0.18 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1wni s VAL 13 CO 0.08 0.42 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.55 1wni s VAL 14 N 0.16 3.83 0.84 2.04 1.01 0.34 -0.29 120.40 128.33 1wni s VAL 14 Ca -0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1wni s VAL 14 Cb -0.13 -2.69 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1wni s VAL 14 CO 0.03 0.48 1.19 1.51 0.00 0.00 0.00 175.10 178.32 1wni s ASP 15 N 0.50 4.22 0.17 3.32 3.84 -1.01 0.16 116.67 127.86 1wni s ASP 15 Ca -0.03 0.73 -0.13 0.00 -0.00 0.00 0.00 52.55 53.12 1wni s ASP 15 Cb -0.14 -1.17 0.07 0.00 -1.38 0.00 0.00 42.92 40.30 1wni s ASP 15 CO 0.03 -2.08 1.79 -0.74 -0.00 0.00 0.00 175.17 174.17 1wni h HIS 16 N -1.18 0.76 -0.74 2.11 -0.00 -1.83 -1.69 115.15 112.58 1wni h HIS 16 Ca -0.46 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.03 1wni h HIS 16 Cb 1.32 -0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 28.39 1wni h HIS 16 CO 0.11 0.54 0.31 0.78 -0.00 0.00 0.00 177.93 179.68 1wni h GLY 17 N 0.76 1.12 2.00 5.26 0.00 -1.94 0.78 103.07 111.06 1wni h GLY 17 Ca 0.20 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1wni h GLY 17 CO -0.03 -0.06 -0.53 1.98 0.00 0.00 0.00 176.54 177.89 1wni h MET 18 N 0.48 0.00 -0.38 4.80 -1.53 -1.80 -2.26 114.93 114.23 1wni h MET 18 Ca 0.40 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.64 1wni h MET 18 Cb 0.57 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.60 1wni h MET 18 CO -0.37 0.53 0.17 -0.92 0.14 0.00 0.00 176.91 176.46 1wni h TYR 19 N 0.00 0.56 -0.19 1.39 3.20 0.01 -2.78 116.97 119.16 1wni h TYR 19 Ca -0.01 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 1wni h TYR 19 Cb 1.02 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1wni h TYR 19 CO 0.00 0.49 -0.45 0.87 -1.64 0.00 0.00 178.16 177.43 1wni h LYS 20 N 0.47 0.48 -0.43 1.82 1.57 -0.96 -0.09 116.57 119.43 1wni h LYS 20 Ca 0.13 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1wni h LYS 20 Cb 0.15 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1wni h LYS 20 CO -0.01 0.84 0.15 -0.22 -0.57 0.00 0.00 179.45 179.63 1wni h LYS 21 N 0.39 0.30 -1.00 3.15 3.64 -1.24 -1.25 116.57 120.55 1wni h LYS 21 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1wni h LYS 21 Cb 0.94 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1wni h LYS 21 CO 0.08 0.20 0.10 0.66 -2.27 0.00 0.00 179.45 178.22 1wni n TYR 22 N -5.02 0.49 -3.89 1.91 4.01 -1.06 -4.84 117.16 108.76 1wni n TYR 22 Ca 0.03 -0.70 -0.26 0.00 -0.16 0.00 0.00 57.90 56.80 1wni n TYR 22 Cb 0.17 -0.36 0.01 0.00 -0.31 0.00 0.00 39.34 38.85 1wni n TYR 22 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wni n ASN 23 N 0.24 -1.93 -2.99 7.72 5.15 -0.47 -1.35 115.26 121.62 1wni n ASN 23 Ca 0.09 -0.89 -0.19 0.00 -0.60 0.00 0.00 54.58 52.99 1wni n ASN 23 Cb 0.68 -3.54 0.00 0.00 -0.53 0.00 0.00 39.78 36.39 1wni n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wni n GLN 24 N -4.42 -3.19 -3.58 1.20 1.13 -0.05 -4.94 117.38 103.53 1wni n GLN 24 Ca -0.19 0.57 -0.41 0.00 -1.94 0.00 0.00 57.00 55.04 1wni n GLN 24 Cb 0.63 -5.26 -0.09 0.00 0.11 0.00 0.00 30.24 25.62 1wni n GLN 24 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1wni s ASN 25 N -2.47 5.67 0.26 1.08 3.84 -0.46 -4.95 114.94 117.91 1wni s ASN 25 Ca 0.25 -1.64 -0.04 0.00 0.21 0.00 0.00 52.86 51.63 1wni s ASN 25 Cb -0.13 -2.00 0.31 0.00 -0.55 0.00 0.00 41.25 38.88 1wni s ASN 25 CO 0.30 -0.59 1.88 0.28 -2.79 0.00 0.00 177.10 176.18 1wni h SER 26 N 8.43 1.01 -0.35 -4.21 0.02 -1.92 -2.50 113.55 114.03 1wni h SER 26 Ca -0.22 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 60.69 1wni h SER 26 Cb 1.08 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.31 1wni h SER 26 CO 0.80 0.82 0.04 0.44 -1.14 0.00 0.00 176.83 177.79 1wni h ASP 27 N 1.13 -0.05 -0.85 3.07 3.32 -1.97 0.18 116.42 121.25 1wni h ASP 27 Ca 0.28 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1wni h ASP 27 Cb 0.05 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1wni h ASP 27 CO -0.04 0.01 0.55 0.11 -1.72 0.00 0.00 179.24 178.15 1wni h LYS 28 N 0.15 1.13 -0.26 3.56 1.57 -1.86 -1.57 116.57 119.30 1wni h LYS 28 Ca 0.17 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1wni h LYS 28 Cb 0.21 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1wni h LYS 28 CO -0.25 0.76 0.01 0.82 -0.57 0.00 0.00 179.45 180.23 1wni h ILE 29 N 1.16 1.25 -0.75 1.86 2.04 -0.77 -2.98 117.51 119.32 1wni h ILE 29 Ca 0.31 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1wni h ILE 29 Cb -0.11 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1wni h ILE 29 CO -0.06 0.28 0.49 0.11 0.00 0.00 0.00 178.15 178.96 1wni h LYS 30 N 0.24 1.00 -0.46 2.37 1.57 -0.30 0.01 116.57 120.99 1wni h LYS 30 Ca 0.07 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1wni h LYS 30 Cb 0.41 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1wni h LYS 30 CO 0.01 0.67 0.06 0.28 -0.57 0.00 0.00 179.45 179.90 1wni h VAL 31 N 1.02 1.25 0.66 0.50 2.07 -1.28 -1.45 116.25 119.03 1wni h VAL 31 Ca 0.27 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1wni h VAL 31 Cb -0.10 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1wni h VAL 31 CO -0.06 0.33 -0.32 0.03 0.02 0.00 0.00 177.57 177.58 1wni h ARG 32 N 0.64 -0.85 -0.97 1.57 3.08 -1.27 -2.38 114.38 114.19 1wni h ARG 32 Ca 0.14 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.35 1wni h ARG 32 Cb 0.42 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1wni h ARG 32 CO 0.01 -0.55 0.62 0.28 -1.07 0.00 0.00 179.97 179.27 1wni h VAL 33 N -0.96 0.96 -0.07 2.04 2.07 -0.96 -1.92 116.25 117.41 1wni h VAL 33 Ca -0.09 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 1wni h VAL 33 Cb 0.70 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1wni h VAL 33 CO 0.15 0.18 -0.59 0.45 0.02 0.00 0.00 177.57 177.78 1wni h HIS 34 N 0.99 0.29 -0.43 1.57 3.86 -1.23 -1.86 115.15 118.34 1wni h HIS 34 Ca 0.46 -0.11 -0.10 0.00 -1.16 0.00 0.00 60.37 59.47 1wni h HIS 34 Cb 0.41 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1wni h HIS 34 CO -0.00 0.76 -0.12 1.96 0.86 0.00 0.00 177.93 181.39 1wni h GLN 35 N 0.17 0.84 0.01 2.45 4.20 -0.97 -2.14 115.11 119.66 1wni h GLN 35 Ca -0.00 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.39 1wni h GLN 35 Cb 1.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1wni h GLN 35 CO 0.09 0.96 -0.05 0.52 -0.67 0.00 0.00 178.83 179.67 1wni h MET 36 N 0.66 -0.10 -0.80 1.46 2.86 -1.21 -0.22 114.93 117.58 1wni h MET 36 Ca 0.11 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1wni h MET 36 Cb 0.65 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1wni h MET 36 CO 0.04 -0.06 0.53 0.28 1.06 0.00 0.00 176.91 178.76 1wni h VAL 37 N -0.10 1.05 -0.31 -2.22 2.07 -1.26 -0.08 116.25 115.40 1wni h VAL 37 Ca 0.02 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1wni h VAL 37 Cb 0.12 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1wni h VAL 37 CO -0.05 0.16 0.10 0.78 0.02 0.00 0.00 177.57 178.58 1wni h ASN 38 N 0.88 0.45 -0.63 0.57 -0.26 -0.67 -1.65 115.58 114.27 1wni h ASN 38 Ca 0.34 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1wni h ASN 38 Cb 0.22 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.33 1wni h ASN 38 CO -0.12 0.52 0.38 0.45 -1.06 0.00 0.00 177.43 177.61 1wni h HIS 39 N 0.35 0.83 0.04 1.19 3.86 0.05 -1.18 115.15 120.29 1wni h HIS 39 Ca 0.10 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1wni h HIS 39 Cb 0.23 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1wni h HIS 39 CO 0.00 0.57 -0.02 0.82 0.86 0.00 0.00 177.93 180.16 1wni h ILE 40 N 0.86 0.99 -0.90 2.45 2.04 -0.95 -0.51 117.51 121.49 1wni h ILE 40 Ca 0.23 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1wni h ILE 40 Cb -0.03 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1wni h ILE 40 CO -0.04 0.02 0.59 0.78 0.00 0.00 0.00 178.15 179.50 1wni h ASN 41 N -0.09 0.98 -0.62 1.72 2.35 -1.20 0.18 115.58 118.91 1wni h ASN 41 Ca -0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1wni h ASN 41 Cb 0.08 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1wni h ASN 41 CO 0.01 0.68 0.33 -0.08 -1.65 0.00 0.00 177.43 176.72 1wni h GLU 42 N 1.14 0.86 0.00 0.81 4.81 -0.51 -2.06 114.58 119.64 1wni h GLU 42 Ca 0.35 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1wni h GLU 42 Cb -0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1wni h GLU 42 CO -0.10 0.66 -0.37 0.52 -0.73 0.00 0.00 179.01 178.99 1wni h MET 43 N 0.84 0.00 -0.01 1.92 2.86 0.53 -3.17 114.93 117.90 1wni h MET 43 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1wni h MET 43 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1wni h MET 43 CO -0.03 0.37 -0.15 0.66 1.06 0.00 0.00 176.91 178.81 1wni n TYR 44 N -3.43 0.00 -0.24 -0.22 4.01 0.47 -4.34 117.16 113.41 1wni n TYR 44 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1wni n TYR 44 Cb 0.54 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.59 1wni n TYR 44 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1wni h ARG 45 N 1.94 0.82 0.00 -0.72 2.43 -1.35 -1.57 114.38 115.93 1wni h ARG 45 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1wni h ARG 45 Cb 0.55 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1wni h ARG 45 CO 0.00 0.54 0.00 -1.35 -1.51 0.00 0.00 179.97 177.65 1wni h PRO 46 N 0.85 0.00 -0.02 0.20 0.11 -1.81 -1.35 132.00 129.97 1wni h PRO 46 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1wni h PRO 46 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1wni h PRO 46 CO -0.10 0.00 -0.17 1.28 -0.21 0.00 0.00 178.00 178.80 1wni n LEU 47 N -2.52 2.35 -1.66 2.35 4.32 -0.63 -4.90 117.00 116.31 1wni n LEU 47 Ca 0.00 -0.80 -0.13 0.00 -0.02 0.00 0.00 56.01 55.06 1wni n LEU 47 Cb 0.17 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.97 1wni n LEU 47 CO 0.18 0.41 -0.06 -3.20 -1.22 0.00 0.00 177.39 173.50 1wni n ASN 48 N 0.62 -4.07 -4.44 -1.43 4.05 -0.51 -4.77 115.26 104.70 1wni n ASN 48 Ca 0.13 -0.10 -0.34 0.00 0.45 0.00 0.00 54.58 54.72 1wni n ASN 48 Cb 0.51 -3.08 -0.13 0.00 1.23 0.00 0.00 39.78 38.31 1wni n ASN 48 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1wni s ILE 49 N -2.78 3.69 -0.30 -1.44 1.01 -1.05 -1.76 121.20 118.57 1wni s ILE 49 Ca 0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1wni s ILE 49 Cb -0.05 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1wni s ILE 49 CO 0.13 0.48 0.18 0.00 0.00 0.00 0.00 174.94 175.73 1wni s ALA 50 N 0.61 3.41 -0.23 9.38 0.00 -0.51 -4.37 121.76 130.05 1wni s ALA 50 Ca -0.03 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 1wni s ALA 50 Cb -0.15 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1wni s ALA 50 CO 0.03 -0.76 0.26 0.42 0.00 0.00 0.00 175.76 175.71 1wni s ILE 51 N 1.69 5.29 -0.13 0.00 1.09 -1.26 -0.64 121.20 127.24 1wni s ILE 51 Ca 0.06 0.39 0.02 0.00 -1.10 0.00 0.00 60.65 60.02 1wni s ILE 51 Cb -0.17 -3.60 -0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1wni s ILE 51 CO 0.09 0.30 -0.19 -0.94 -0.10 0.00 0.00 174.94 174.09 1wni s SER 52 N 1.10 3.43 -0.72 3.58 1.04 0.38 -4.90 113.70 117.61 1wni s SER 52 Ca 0.12 -0.51 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 1wni s SER 52 Cb -0.14 -1.50 0.01 0.00 0.10 0.00 0.00 66.02 64.48 1wni s SER 52 CO 0.06 0.11 1.58 -0.22 0.98 0.00 0.00 173.24 175.75 1wni s LEU 53 N 0.63 3.24 0.38 2.42 2.96 -1.26 0.15 118.68 127.19 1wni s LEU 53 Ca -0.10 -0.23 0.25 0.00 -0.22 0.00 0.00 54.13 53.83 1wni s LEU 53 Cb -0.16 -2.55 0.57 0.00 0.50 0.00 0.00 46.19 44.55 1wni s LEU 53 CO 0.03 -2.10 1.69 -1.13 -1.32 0.00 0.00 176.35 173.52 1wni h ASN 54 N 12.09 0.00 -2.79 3.68 -0.73 -1.13 -3.47 115.58 123.23 1wni h ASN 54 Ca -0.21 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.07 1wni h ASN 54 Cb 1.09 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 39.39 1wni h ASN 54 CO 1.26 0.00 0.58 -0.60 -0.37 0.00 0.00 177.43 178.30 1wni s ARG 55 N -3.22 0.35 -0.23 6.67 3.52 -1.22 -4.98 118.95 119.83 1wni s ARG 55 Ca 0.07 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 1wni s ARG 55 Cb 0.07 0.16 0.05 0.00 -1.56 0.00 0.00 34.95 33.68 1wni s ARG 55 CO 0.63 -0.04 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.81 1wni s LEU 56 N 0.30 2.80 -0.21 -0.88 0.20 -1.26 -0.76 118.68 118.87 1wni s LEU 56 Ca 0.03 -1.16 -0.05 0.00 0.69 0.00 0.00 54.13 53.64 1wni s LEU 56 Cb -0.05 -1.35 -0.02 0.00 -0.43 0.00 0.00 46.19 44.35 1wni s LEU 56 CO -0.10 -0.18 -0.01 -1.58 -0.29 0.00 0.00 176.35 174.18 1wni s GLN 57 N 1.28 3.52 -0.28 1.98 0.74 -0.50 -5.01 119.66 121.40 1wni s GLN 57 Ca -0.05 -0.56 -0.08 0.00 0.05 0.00 0.00 55.36 54.72 1wni s GLN 57 Cb -0.18 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 1wni s GLN 57 CO -0.07 -0.08 0.10 0.42 -0.55 0.00 0.00 175.29 175.11 1wni s ILE 58 N 1.22 4.33 -1.23 -2.34 1.01 -1.26 -0.50 121.20 122.41 1wni s ILE 58 Ca 0.03 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1wni s ILE 58 Cb -0.15 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1wni s ILE 58 CO 0.00 0.21 1.94 0.79 0.00 0.00 0.00 174.94 177.88 1wni n TRP 59 N 4.93 3.53 0.08 3.97 8.01 0.12 -4.75 117.44 133.34 1wni n TRP 59 Ca -0.15 -2.42 -0.06 0.00 -1.31 0.00 0.00 57.50 53.55 1wni n TRP 59 Cb 0.50 -2.47 -0.04 0.00 -2.01 0.00 0.00 31.31 27.29 1wni n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1wni h SER 60 N 7.67 0.06 0.03 -0.99 4.64 -1.89 -2.98 113.55 120.08 1wni h SER 60 Ca 0.43 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1wni h SER 60 Cb 0.79 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1wni h SER 60 CO 1.60 0.93 -0.02 0.50 -0.87 0.00 0.00 176.83 178.98 1wni h LYS 61 N 0.02 -0.04 -2.40 4.77 3.64 -1.99 -3.50 116.57 117.06 1wni h LYS 61 Ca -0.02 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1wni h LYS 61 Cb 1.59 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.30 1wni h LYS 61 CO 0.12 0.38 0.45 -1.59 -2.27 0.00 0.00 179.45 176.55 1wni s LYS 62 N -2.10 1.02 0.24 1.90 -2.85 -1.26 -5.09 119.74 111.61 1wni s LYS 62 Ca -0.09 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 1wni s LYS 62 Cb -0.01 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1wni s LYS 62 CO 0.32 -0.46 1.24 -0.51 0.10 0.00 0.00 175.35 176.05 1wni s ASP 63 N -2.67 6.99 0.00 0.03 1.01 -1.26 -4.79 116.67 115.98 1wni s ASP 63 Ca 0.07 2.39 0.21 0.00 0.71 0.00 0.00 52.55 55.93 1wni s ASP 63 Cb -0.01 -2.62 0.66 0.00 1.01 0.00 0.00 42.92 41.96 1wni s ASP 63 CO -0.05 -0.41 1.50 0.18 0.21 0.00 0.00 175.17 176.59 1wni n LEU 64 N 1.95 2.00 -3.76 1.23 4.77 -1.26 -4.84 117.00 117.09 1wni n LEU 64 Ca 0.03 -0.85 -0.11 0.00 -0.03 0.00 0.00 56.01 55.05 1wni n LEU 64 Cb 0.43 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1wni n LEU 64 CO 0.57 0.43 0.02 0.27 -1.33 0.00 0.00 177.39 177.35 1wni s ILE 65 N -1.73 0.09 -0.28 -0.08 -4.36 -1.26 -5.08 121.20 108.50 1wni s ILE 65 Ca 0.33 -0.71 -0.27 0.00 -0.26 0.00 0.00 60.65 59.74 1wni s ILE 65 Cb 0.18 -0.97 0.01 0.00 1.25 0.00 0.00 42.46 42.93 1wni s ILE 65 CO 0.27 -0.39 0.96 -0.89 0.24 0.00 0.00 174.94 175.13 1wni s THR 66 N -2.69 4.68 -0.40 8.37 2.01 -1.26 -4.98 115.64 121.37 1wni s THR 66 Ca -0.04 1.68 -0.26 0.00 0.31 0.00 0.00 61.69 63.38 1wni s THR 66 Cb -0.00 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.25 1wni s THR 66 CO -0.04 -0.27 0.96 -0.69 -0.69 0.00 0.00 174.62 173.89 1wni s VAL 67 N 3.23 4.51 0.19 3.82 1.01 -1.26 -4.81 120.40 127.09 1wni s VAL 67 Ca 0.40 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.58 1wni s VAL 67 Cb -0.14 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1wni s VAL 67 CO 0.10 -0.66 0.08 -0.54 0.00 0.00 0.00 175.10 174.09 1wni s LYS 68 N 3.66 2.67 0.53 2.72 1.02 -1.26 -4.99 119.74 124.08 1wni s LYS 68 Ca 0.39 -1.03 0.19 0.00 0.02 0.00 0.00 55.97 55.55 1wni s LYS 68 Cb -0.11 -2.49 1.33 0.00 -0.52 0.00 0.00 37.83 36.04 1wni s LYS 68 CO 0.22 0.45 2.12 0.77 -0.92 0.00 0.00 175.35 177.99 1wni h SER 69 N 2.36 0.00 -2.00 2.83 0.02 -1.96 -3.37 113.55 111.44 1wni h SER 69 Ca -0.47 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.96 1wni h SER 69 Cb 1.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1wni h SER 69 CO 0.61 0.00 1.18 0.00 -1.14 0.00 0.00 176.83 177.48 1wni s ALA 70 N -5.03 2.48 0.34 3.77 0.00 -1.26 -1.15 121.76 120.91 1wni s ALA 70 Ca -0.05 -1.23 0.11 0.00 0.00 0.00 0.00 51.96 50.79 1wni s ALA 70 Cb 0.17 -4.32 0.91 0.00 0.00 0.00 0.00 23.12 19.88 1wni s ALA 70 CO 0.68 -3.63 1.75 0.66 0.00 0.00 0.00 175.76 175.22 1wni h SER 71 N 11.74 0.64 0.87 0.00 4.64 -1.90 -0.56 113.55 128.98 1wni h SER 71 Ca -0.20 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1wni h SER 71 Cb 1.08 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1wni h SER 71 CO 1.27 0.14 -0.26 -0.55 -0.87 0.00 0.00 176.83 176.56 1wni h ASN 72 N 0.57 0.00 0.22 4.97 7.08 -1.93 0.06 115.58 126.56 1wni h ASN 72 Ca 0.62 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.52 1wni h ASN 72 Cb 1.22 0.00 0.04 0.00 -2.08 0.00 0.00 38.32 37.50 1wni h ASN 72 CO -0.41 0.26 -1.38 0.58 -2.08 0.00 0.00 177.43 174.41 1wni h VAL 73 N 0.00 1.30 -0.41 6.14 2.07 -1.50 -2.80 116.25 121.05 1wni h VAL 73 Ca -0.00 -2.64 -0.04 0.00 0.82 0.00 0.00 66.70 64.84 1wni h VAL 73 Cb 0.77 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 1wni h VAL 73 CO 0.03 0.79 0.10 0.74 0.02 0.00 0.00 177.57 179.26 1wni h THR 74 N 0.13 1.23 -0.55 2.57 2.02 -1.15 -2.11 112.91 115.04 1wni h THR 74 Ca -0.24 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.19 1wni h THR 74 Cb 2.08 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 1wni h THR 74 CO 0.26 0.27 0.34 0.25 0.37 0.00 0.00 175.52 177.01 1wni h LEU 75 N 0.52 0.56 -0.89 2.58 5.85 -1.06 -0.22 115.31 122.64 1wni h LEU 75 Ca 0.13 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1wni h LEU 75 Cb 0.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1wni h LEU 75 CO 0.00 0.39 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.30 1wni h GLU 76 N 0.68 0.69 -0.57 1.25 4.81 -1.42 -0.25 114.58 119.77 1wni h GLU 76 Ca 0.22 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1wni h GLU 76 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1wni h GLU 76 CO -0.09 0.79 -0.06 0.77 -0.73 0.00 0.00 179.01 179.69 1wni h SER 77 N 0.63 1.04 -0.39 1.04 0.02 -0.66 -2.54 113.55 112.69 1wni h SER 77 Ca 0.11 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1wni h SER 77 Cb 0.56 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1wni h SER 77 CO 0.03 1.12 0.06 0.15 -1.14 0.00 0.00 176.83 177.05 1wni h PHE 78 N 0.93 0.69 -0.65 3.45 3.57 -0.79 -1.78 116.94 122.36 1wni h PHE 78 Ca 0.15 -0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1wni h PHE 78 Cb 0.62 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 1wni h PHE 78 CO 0.04 0.69 0.30 0.78 -2.23 0.00 0.00 178.31 177.90 1wni h GLY 79 N 0.49 0.95 1.10 2.40 0.00 -0.88 0.25 103.07 107.39 1wni h GLY 79 Ca 0.12 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1wni h GLY 79 CO 0.01 0.03 -0.20 3.43 0.00 0.00 0.00 176.54 179.81 1wni h ASN 80 N 0.52 1.01 -0.17 0.19 -0.26 -1.28 -2.07 115.58 113.52 1wni h ASN 80 Ca 0.32 -0.39 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1wni h ASN 80 Cb 0.35 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 1wni h ASN 80 CO -0.27 1.18 0.02 -0.25 -1.06 0.00 0.00 177.43 177.04 1wni h TRP 81 N 0.85 0.41 0.12 1.19 7.01 -0.61 0.54 115.95 125.46 1wni h TRP 81 Ca 0.11 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1wni h TRP 81 Cb 0.78 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1wni h TRP 81 CO 0.05 0.40 -0.06 -0.09 -2.79 0.00 0.00 178.44 175.96 1wni h ARG 82 N 0.39 -0.15 -0.19 2.65 2.43 -0.73 0.39 114.38 119.16 1wni h ARG 82 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1wni h ARG 82 Cb 0.24 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1wni h ARG 82 CO 0.00 0.25 0.13 1.49 -1.51 0.00 0.00 179.97 180.33 1wni h GLU 83 N -0.61 0.25 -0.08 0.20 4.81 -1.08 0.30 114.58 118.38 1wni h GLU 83 Ca -0.02 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.97 1wni h GLU 83 Cb 0.48 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1wni h GLU 83 CO 0.03 0.17 -0.85 1.15 -0.73 0.00 0.00 179.01 178.77 1wni h THR 84 N 0.26 1.31 0.00 0.32 2.02 0.04 -3.40 112.91 113.46 1wni h THR 84 Ca 0.07 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 1wni h THR 84 Cb -0.03 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1wni h THR 84 CO -0.02 0.66 -0.82 0.52 0.37 0.00 0.00 175.52 176.23 1wni n VAL 85 N -3.87 0.30 -0.11 3.16 0.31 0.13 -4.73 118.33 113.52 1wni n VAL 85 Ca -0.07 0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.25 1wni n VAL 85 Cb 0.78 -1.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.17 1wni n VAL 85 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wni h LEU 86 N -0.03 0.42 -0.73 7.52 5.85 -0.91 -2.49 115.31 124.95 1wni h LEU 86 Ca -0.01 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1wni h LEU 86 Cb 0.80 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1wni h LEU 86 CO -0.01 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 1wni n LEU 87 N -4.81 0.52 0.08 2.25 4.77 0.10 -2.18 117.00 117.73 1wni n LEU 87 Ca -0.00 0.66 -0.04 0.00 -0.03 0.00 0.00 56.01 56.59 1wni n LEU 87 Cb 0.04 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1wni n LEU 87 CO 0.35 -0.60 0.22 0.11 -1.33 0.00 0.00 177.39 176.13 1wni h LYS 88 N 0.00 0.00 0.02 3.23 1.79 -1.68 -3.39 116.57 116.53 1wni h LYS 88 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1wni h LYS 88 Cb 0.25 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 1wni h LYS 88 CO 0.00 0.83 -1.82 1.04 -1.08 0.00 0.00 179.45 178.42 1wni n GLN 89 N -3.30 0.60 -3.74 3.15 6.02 -0.92 -4.96 117.38 114.23 1wni n GLN 89 Ca 0.00 0.42 -0.14 0.00 -0.01 0.00 0.00 57.00 57.26 1wni n GLN 89 Cb 0.88 -1.65 -0.15 0.00 1.02 0.00 0.00 30.24 30.34 1wni n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1wni s GLN 90 N -2.44 0.05 0.43 -1.09 0.74 -1.04 -5.15 119.66 111.16 1wni s GLN 90 Ca -0.31 0.35 -0.21 0.00 0.05 0.00 0.00 55.36 55.24 1wni s GLN 90 Cb 0.09 -0.21 -0.11 0.00 1.10 0.00 0.00 33.01 33.88 1wni s GLN 90 CO 0.58 -0.19 0.96 1.21 -0.55 0.00 0.00 175.29 177.31 1wni s ASN 91 N 1.29 6.89 0.13 6.67 2.47 -1.26 -4.24 114.94 126.90 1wni s ASN 91 Ca -0.08 1.73 -0.19 0.00 0.42 0.00 0.00 52.86 54.74 1wni s ASN 91 Cb -0.12 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.19 1wni s ASN 91 CO -0.05 -0.40 0.48 0.54 -3.72 0.00 0.00 177.10 173.96 1wni s ASN 92 N -2.13 -0.38 0.23 -4.21 2.20 -1.26 -5.05 114.94 104.34 1wni s ASN 92 Ca 0.62 -0.16 0.23 0.00 -0.94 0.00 0.00 52.86 52.61 1wni s ASN 92 Cb -0.10 0.52 0.06 0.00 -2.00 0.00 0.00 41.25 39.72 1wni s ASN 92 CO 0.14 -0.89 1.12 0.44 -2.94 0.00 0.00 177.10 174.98 1wni h ASP 93 N 2.26 0.00 -4.55 3.54 3.45 -1.67 -3.48 116.42 115.97 1wni h ASP 93 Ca -0.34 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.11 1wni h ASP 93 Cb 1.27 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.83 1wni h ASP 93 CO 0.43 0.01 0.32 0.00 -1.57 0.00 0.00 179.24 178.43 1wni s ALA 95 N -1.00 0.07 -0.05 0.00 0.00 -0.98 -1.09 121.76 118.72 1wni s ALA 95 Ca -0.06 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1wni s ALA 95 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1wni s ALA 95 CO 0.06 -0.06 -0.22 -1.01 0.00 0.00 0.00 175.76 174.52 1wni s HIS 96 N 0.66 2.14 -0.18 0.00 3.76 -0.88 -1.37 115.29 119.42 1wni s HIS 96 Ca -0.06 -0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 54.12 1wni s HIS 96 Cb -0.08 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 1wni s HIS 96 CO -0.02 -0.17 0.34 -1.17 -0.85 0.00 0.00 174.74 172.87 1wni s LEU 97 N -0.17 4.20 -0.27 0.89 0.20 -0.04 -2.18 118.68 121.30 1wni s LEU 97 Ca -0.01 0.50 -0.11 0.00 0.69 0.00 0.00 54.13 55.20 1wni s LEU 97 Cb -0.12 -2.43 -0.05 0.00 -0.43 0.00 0.00 46.19 43.16 1wni s LEU 97 CO 0.02 0.02 0.18 -0.76 -0.29 0.00 0.00 176.35 175.52 1wni s LEU 98 N 0.87 3.99 0.12 -0.68 1.43 0.60 -1.96 118.68 123.04 1wni s LEU 98 Ca 0.17 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1wni s LEU 98 Cb -0.14 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1wni s LEU 98 CO 0.06 -0.04 -0.22 0.28 0.23 0.00 0.00 176.35 176.66 1wni s THR 99 N 1.69 1.85 -2.47 5.49 -1.32 -0.82 -2.42 115.64 117.64 1wni s THR 99 Ca 0.07 -1.65 0.26 0.00 -1.21 0.00 0.00 61.69 59.16 1wni s THR 99 Cb -0.16 -1.69 0.30 0.00 -1.51 0.00 0.00 72.50 69.44 1wni s THR 99 CO 0.10 -0.07 1.46 0.00 -2.21 0.00 0.00 174.62 173.90 1wni n ALA 100 N 0.92 2.77 -2.17 11.08 0.00 -1.26 -1.02 120.51 130.83 1wni n ALA 100 Ca -0.18 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1wni n ALA 100 Cb 0.54 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1wni n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wni s THR 101 N -2.15 3.46 -0.29 0.00 2.01 -1.26 -4.90 115.64 112.51 1wni s THR 101 Ca 0.30 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 1wni s THR 101 Cb 0.20 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1wni s THR 101 CO 0.39 0.12 1.50 0.20 -0.69 0.00 0.00 174.62 176.14 1wni s ASN 102 N 0.80 6.41 0.33 3.53 0.01 -1.26 -4.92 114.94 119.84 1wni s ASN 102 Ca 0.60 1.33 -0.13 0.00 -0.71 0.00 0.00 52.86 53.95 1wni s ASN 102 Cb -0.35 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.70 1wni s ASN 102 CO 0.33 -1.28 0.71 -0.76 -1.51 0.00 0.00 177.10 174.59 1wni s LEU 103 N 5.16 4.01 0.52 0.60 1.43 -1.26 -4.62 118.68 124.52 1wni s LEU 103 Ca 0.66 1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 54.71 1wni s LEU 103 Cb -0.20 -3.99 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 1wni s LEU 103 CO 0.28 -0.24 1.35 0.20 0.23 0.00 0.00 176.35 178.17 1wni s ASN 104 N -2.57 5.44 -1.43 2.29 0.01 -0.30 -3.71 114.94 114.68 1wni s ASN 104 Ca 0.52 2.75 -0.10 0.00 -0.71 0.00 0.00 52.86 55.32 1wni s ASN 104 Cb -0.10 -2.64 0.04 0.00 0.41 0.00 0.00 41.25 38.97 1wni s ASN 104 CO 0.22 -1.45 1.06 0.47 -1.51 0.00 0.00 177.10 175.89 1wni n ASP 105 N -0.84 -5.18 -2.61 -1.22 10.43 -1.26 -3.35 116.55 112.52 1wni n ASP 105 Ca 0.09 -0.67 -0.19 0.00 2.57 0.00 0.00 54.79 56.59 1wni n ASP 105 Cb 0.45 -4.45 0.00 0.00 1.84 0.00 0.00 41.12 38.96 1wni n ASP 105 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1wni n ASN 106 N -2.94 -5.16 -4.73 -2.24 3.02 -1.24 -4.97 115.26 97.00 1wni n ASN 106 Ca -0.01 -0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.12 1wni n ASN 106 Cb 0.56 -4.29 -0.05 0.00 -0.61 0.00 0.00 39.78 35.38 1wni n ASN 106 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wni s THR 107 N -2.93 5.08 -0.50 3.41 2.01 -1.21 -4.95 115.64 116.55 1wni s THR 107 Ca 0.09 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.35 1wni s THR 107 Cb -0.04 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.56 1wni s THR 107 CO 0.11 0.31 0.59 2.30 -0.69 0.00 0.00 174.62 177.24 1wni n ILE 108 N 3.57 0.00 -3.55 1.82 -5.35 -1.26 -4.25 119.36 110.34 1wni n ILE 108 Ca -0.04 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 61.83 1wni n ILE 108 Cb 0.51 1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 39.45 1wni n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wni s GLY 109 N -0.45 -0.35 -0.09 3.28 0.00 -1.26 0.59 107.32 109.05 1wni s GLY 109 Ca 0.05 1.73 -0.19 0.00 0.00 0.00 0.00 44.72 46.30 1wni s GLY 109 CO 0.06 0.87 0.46 -2.27 0.00 0.00 0.00 173.10 172.22 1wni s LEU 110 N -1.41 0.26 0.15 0.66 2.96 0.75 -4.98 118.68 117.06 1wni s LEU 110 Ca -0.01 0.58 -0.20 0.00 -0.22 0.00 0.00 54.13 54.28 1wni s LEU 110 Cb -0.01 1.68 0.05 0.00 0.50 0.00 0.00 46.19 48.42 1wni s LEU 110 CO 0.00 -0.36 0.51 0.00 -1.32 0.00 0.00 176.35 175.19 1wni s ALA 111 N -0.64 -1.26 -0.21 5.97 0.00 -1.26 0.85 121.76 125.22 1wni s ALA 111 Ca -0.07 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 1wni s ALA 111 Cb -0.03 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1wni s ALA 111 CO 0.04 -0.73 0.75 0.71 0.00 0.00 0.00 175.76 176.54 1wni s TYR 112 N -3.79 3.36 0.28 0.00 2.02 -1.19 -4.89 117.35 113.14 1wni s TYR 112 Ca 0.03 1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 57.50 1wni s TYR 112 Cb 0.00 -2.95 -0.11 0.00 -0.40 0.00 0.00 41.96 38.50 1wni s TYR 112 CO -0.11 -0.29 1.58 0.21 -1.57 0.00 0.00 175.55 175.37 1wni s LYS 113 N 2.36 4.14 -1.33 -0.62 2.47 -1.25 -2.13 119.74 123.37 1wni s LYS 113 Ca 0.33 2.54 0.00 0.00 -1.56 0.00 0.00 55.97 57.28 1wni s LYS 113 Cb -0.16 -3.04 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1wni s LYS 113 CO 0.10 -0.61 0.00 1.63 0.16 0.00 0.00 175.35 176.62 1wni n LYS 114 N 2.35 -1.72 0.00 4.03 5.02 0.32 -4.84 118.16 123.33 1wni n LYS 114 Ca 0.09 0.75 0.14 0.00 -2.02 0.00 0.00 58.31 57.27 1wni n LYS 114 Cb 0.38 -5.19 0.65 0.00 -0.02 0.00 0.00 35.03 30.85 1wni n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wni n GLY 115 N -0.56 -0.97 3.65 0.72 0.00 -0.90 -4.88 105.19 102.25 1wni n GLY 115 Ca -0.15 -0.25 -0.52 0.00 0.00 0.00 0.00 46.02 45.09 1wni n GLY 115 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wni n MET 116 N -0.98 1.44 0.00 1.61 0.00 -0.33 -1.62 117.12 117.24 1wni n MET 116 Ca 0.15 0.52 0.00 0.00 0.00 0.00 0.00 57.70 58.37 1wni n MET 116 Cb 0.26 -2.22 0.00 0.00 0.00 0.00 0.00 33.22 31.26 1wni n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wni s ASN 118 N -0.59 6.77 0.52 0.00 3.84 -0.76 -4.88 114.94 119.85 1wni s ASN 118 Ca 0.00 2.52 0.19 0.00 0.21 0.00 0.00 52.86 55.78 1wni s ASN 118 Cb 0.00 -2.61 1.35 0.00 -0.55 0.00 0.00 41.25 39.43 1wni s ASN 118 CO 0.00 -0.62 2.14 -0.65 -2.79 0.00 0.00 177.10 175.18 1wni h PRO 119 N 5.37 0.00 0.00 0.43 0.11 -1.95 -0.30 132.00 135.67 1wni h PRO 119 Ca -0.45 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 1wni h PRO 119 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1wni h PRO 119 CO 0.79 0.04 -2.18 1.17 -0.21 0.00 0.00 178.00 177.60 1wni n LYS 120 N -4.32 0.65 0.11 1.05 0.00 -1.26 -3.45 118.16 110.94 1wni n LYS 120 Ca -0.03 0.10 0.10 0.00 0.00 0.00 0.00 58.31 58.48 1wni n LYS 120 Cb 0.12 -1.42 0.01 0.00 0.00 0.00 0.00 35.03 33.75 1wni n LYS 120 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1wni h LEU 121 N 0.00 0.00 -6.33 3.14 3.38 -1.79 -3.41 115.31 110.30 1wni h LEU 121 Ca -0.46 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.83 1wni h LEU 121 Cb 1.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1wni h LEU 121 CO -0.06 0.07 2.67 -0.24 0.09 0.00 0.00 178.44 180.97 1wni n SER 122 N -2.76 3.27 -3.96 -0.43 2.88 -0.13 -4.48 113.62 108.01 1wni n SER 122 Ca -0.00 -2.77 -0.09 0.00 -1.33 0.00 0.00 58.87 54.68 1wni n SER 122 Cb 0.58 -1.42 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 1wni n SER 122 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wni s VAL 123 N 4.26 0.14 0.22 2.46 0.11 -1.26 -2.32 120.40 124.02 1wni s VAL 123 Ca 0.53 -1.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 1wni s VAL 123 Cb 0.13 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1wni s VAL 123 CO 0.02 -0.65 0.41 -0.83 -3.33 0.00 0.00 175.10 170.72 1wni s GLY 124 N -2.15 0.49 -0.05 6.54 0.00 -0.47 -3.16 107.32 108.51 1wni s GLY 124 Ca -0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1wni s GLY 124 CO -0.05 -0.68 0.10 -2.27 0.00 0.00 0.00 173.10 170.21 1wni s LEU 125 N -2.99 0.94 0.00 0.66 2.96 0.25 -0.86 118.68 119.64 1wni s LEU 125 Ca 0.20 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1wni s LEU 125 Cb 0.01 0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.92 1wni s LEU 125 CO 0.05 -0.13 -0.02 0.54 -1.32 0.00 0.00 176.35 175.47 1wni s VAL 126 N 1.00 0.14 -0.07 1.68 0.11 -0.83 -0.18 120.40 122.26 1wni s VAL 126 Ca -0.08 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 1wni s VAL 126 Cb -0.11 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1wni s VAL 126 CO -0.04 -0.03 0.37 -1.58 -3.33 0.00 0.00 175.10 170.49 1wni s GLN 127 N -0.22 4.01 -1.43 1.54 0.74 0.20 -1.95 119.66 122.55 1wni s GLN 127 Ca -0.01 0.29 -0.14 0.00 0.05 0.00 0.00 55.36 55.55 1wni s GLN 127 Cb -0.02 -3.30 0.05 0.00 1.10 0.00 0.00 33.01 30.85 1wni s GLN 127 CO -0.00 0.52 2.15 -3.47 -0.55 0.00 0.00 175.29 173.94 1wni n ASP 128 N 2.51 4.05 0.01 6.67 4.64 -0.19 -4.66 116.55 129.59 1wni n ASP 128 Ca -0.13 -2.86 0.12 0.00 -1.38 0.00 0.00 54.79 50.54 1wni n ASP 128 Cb 0.52 -1.66 0.31 0.00 -1.04 0.00 0.00 41.12 39.25 1wni n ASP 128 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wni n TYR 129 N 6.26 0.13 -4.47 -0.67 4.11 -1.26 -4.88 117.16 116.38 1wni n TYR 129 Ca 0.51 0.04 -0.22 0.00 -0.00 0.00 0.00 57.90 58.23 1wni n TYR 129 Cb 0.40 -0.39 -0.14 0.00 -0.00 0.00 0.00 39.34 39.21 1wni n TYR 129 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wni s SER 130 N -3.27 1.98 0.55 9.48 0.15 -1.26 -5.01 113.70 116.33 1wni s SER 130 Ca 0.11 -0.48 0.34 0.00 0.70 0.00 0.00 55.95 56.61 1wni s SER 130 Cb 0.17 -0.15 1.43 0.00 -1.71 0.00 0.00 66.02 65.76 1wni s SER 130 CO 0.67 0.08 2.01 1.55 1.20 0.00 0.00 173.24 178.75 1wni h PRO 131 N 4.91 0.00 -6.13 5.44 0.13 -2.02 -3.42 132.00 130.91 1wni h PRO 131 Ca -0.40 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.13 1wni h PRO 131 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 1wni h PRO 131 CO 0.44 0.02 0.58 1.21 -0.23 0.00 0.00 178.00 180.01 1wni s ASN 132 N -5.70 6.52 0.33 1.44 3.84 -1.26 -4.94 114.94 115.17 1wni s ASN 132 Ca 0.01 0.19 0.05 0.00 0.21 0.00 0.00 52.86 53.31 1wni s ASN 132 Cb 0.09 -2.45 0.70 0.00 -0.55 0.00 0.00 41.25 39.04 1wni s ASN 132 CO 0.54 -1.01 1.88 0.58 -2.79 0.00 0.00 177.10 176.29 1wni h VAL 133 N 6.04 0.92 -0.53 -5.21 2.07 -1.97 -1.65 116.25 115.92 1wni h VAL 133 Ca -0.24 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1wni h VAL 133 Cb 1.08 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1wni h VAL 133 CO 1.02 0.15 0.32 0.15 0.02 0.00 0.00 177.57 179.23 1wni h PHE 134 N 0.83 0.60 -0.31 1.57 3.57 -1.96 0.37 116.94 121.61 1wni h PHE 134 Ca 0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1wni h PHE 134 Cb 0.52 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1wni h PHE 134 CO -0.00 0.35 0.20 0.52 -2.23 0.00 0.00 178.31 177.15 1wni h MET 135 N 0.64 0.42 -0.25 1.11 2.86 -1.70 0.66 114.93 118.66 1wni h MET 135 Ca 0.21 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1wni h MET 135 Cb 0.01 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1wni h MET 135 CO -0.09 0.29 -0.15 0.28 1.06 0.00 0.00 176.91 178.30 1wni h VAL 136 N 0.42 1.23 -0.13 -2.22 2.07 -1.33 -2.70 116.25 113.58 1wni h VAL 136 Ca 0.11 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 1wni h VAL 136 Cb -0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1wni h VAL 136 CO -0.02 0.33 -0.41 0.00 0.02 0.00 0.00 177.57 177.48 1wni h ALA 137 N 1.45 1.05 -0.47 1.67 0.00 -0.31 -0.99 119.26 121.67 1wni h ALA 137 Ca 0.07 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1wni h ALA 137 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wni h ALA 137 CO 0.03 0.60 -0.18 0.28 0.00 0.00 0.00 179.25 179.98 1wni h VAL 138 N 0.25 1.27 -0.31 0.00 2.07 -0.61 -1.55 116.25 117.37 1wni h VAL 138 Ca 0.02 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 1wni h VAL 138 Cb 0.84 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1wni h VAL 138 CO 0.07 0.45 -0.07 0.74 0.02 0.00 0.00 177.57 178.78 1wni h THR 139 N 0.80 1.28 -0.39 2.57 2.02 -1.30 -0.64 112.91 117.25 1wni h THR 139 Ca 0.11 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1wni h THR 139 Cb 0.73 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1wni h THR 139 CO 0.06 0.36 0.10 -0.03 0.37 0.00 0.00 175.52 176.37 1wni h MET 140 N 0.37 0.57 -0.32 6.66 -1.53 -1.12 -1.62 114.93 117.93 1wni h MET 140 Ca 0.08 -0.09 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 1wni h MET 140 Cb 0.56 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.50 1wni h MET 140 CO 0.03 0.52 -0.08 1.15 0.14 0.00 0.00 176.91 178.67 1wni h THR 141 N 0.56 1.28 -0.14 -0.77 2.02 -1.05 -1.27 112.91 113.53 1wni h THR 141 Ca 0.13 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.21 1wni h THR 141 Cb 0.21 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1wni h THR 141 CO -0.00 0.36 0.01 -0.74 0.37 0.00 0.00 175.52 175.52 1wni h HIS 142 N 0.40 0.00 -0.67 3.16 6.17 -0.88 0.16 115.15 123.50 1wni h HIS 142 Ca 0.08 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.12 1wni h HIS 142 Cb 0.57 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.49 1wni h HIS 142 CO 0.05 -0.01 0.22 0.93 0.71 0.00 0.00 177.93 179.83 1wni h GLU 143 N 0.06 1.02 -0.13 5.26 4.39 -1.28 -0.84 114.58 123.06 1wni h GLU 143 Ca 0.07 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1wni h GLU 143 Cb 0.07 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1wni h GLU 143 CO -0.11 0.87 -0.16 1.25 -1.16 0.00 0.00 179.01 179.70 1wni h LEU 144 N 0.99 0.20 -0.58 1.33 6.46 -0.86 -2.26 115.31 120.59 1wni h LEU 144 Ca 0.22 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1wni h LEU 144 Cb 0.27 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1wni h LEU 144 CO -0.01 0.39 0.37 1.23 -0.62 0.00 0.00 178.44 179.79 1wni h GLY 145 N 0.78 0.83 1.06 3.75 0.00 0.46 -2.64 103.07 107.30 1wni h GLY 145 Ca 0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1wni h GLY 145 CO 0.03 0.25 0.18 0.45 0.00 0.00 0.00 176.54 177.45 1wni h HIS 146 N 0.73 1.17 -0.45 5.60 3.86 -0.83 -1.32 115.15 123.92 1wni h HIS 146 Ca 0.23 -0.14 0.12 0.00 -1.16 0.00 0.00 60.37 59.42 1wni h HIS 146 Cb -0.02 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 1wni h HIS 146 CO -0.05 0.95 0.32 -0.91 0.86 0.00 0.00 177.93 179.10 1wni h ASN 147 N 1.05 0.05 -0.67 2.45 -0.26 -1.19 0.15 115.58 117.16 1wni h ASN 147 Ca 0.22 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.71 1wni h ASN 147 Cb 0.36 -0.01 -0.15 0.00 -1.06 0.00 0.00 38.32 37.46 1wni h ASN 147 CO 0.00 0.03 0.33 0.18 -1.06 0.00 0.00 177.43 176.90 1wni n LEU 148 N -4.42 5.54 -0.48 1.61 7.99 -0.97 -1.19 117.00 125.08 1wni n LEU 148 Ca 0.08 -2.90 -0.06 0.00 -0.01 0.00 0.00 56.01 53.11 1wni n LEU 148 Cb 0.49 -0.73 -0.03 0.00 -0.11 0.00 0.00 43.42 43.05 1wni n LEU 148 CO 0.36 0.79 -0.06 0.61 -1.51 0.00 0.00 177.39 177.58 1wni n GLY 149 N -0.31 0.85 3.82 -0.72 0.00 0.00 -4.50 105.19 104.33 1wni n GLY 149 Ca 0.38 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1wni n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wni s MET 150 N -2.26 4.10 0.48 1.61 -1.94 -0.54 -4.59 119.30 116.16 1wni s MET 150 Ca 0.00 0.63 0.08 0.00 -1.71 0.00 0.00 55.69 54.69 1wni s MET 150 Cb 0.00 -3.13 0.02 0.00 2.01 0.00 0.00 34.83 33.74 1wni s MET 150 CO 0.00 0.58 0.53 -1.21 -0.01 0.00 0.00 175.02 174.92 1wni s GLU 151 N -1.41 2.50 0.95 2.03 0.41 -1.26 -4.21 118.70 117.70 1wni s GLU 151 Ca 0.32 -1.58 -0.12 0.00 -0.41 0.00 0.00 54.97 53.18 1wni s GLU 151 Cb -0.18 -2.49 0.16 0.00 -1.78 0.00 0.00 34.13 29.85 1wni s GLU 151 CO 0.19 -0.46 1.09 -1.01 -0.49 0.00 0.00 175.26 174.58 1wni s HIS 152 N -2.55 2.20 -0.16 1.61 3.76 -1.26 -4.88 115.29 114.01 1wni s HIS 152 Ca 0.51 1.13 -0.17 0.00 -0.15 0.00 0.00 55.06 56.37 1wni s HIS 152 Cb -0.05 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 1wni s HIS 152 CO 0.31 -2.66 0.45 -0.51 -0.85 0.00 0.00 174.74 171.48 1wni s ASP 153 N -3.43 6.57 -1.21 1.40 1.01 -0.88 -4.96 116.67 115.17 1wni s ASP 153 Ca 0.64 0.67 -0.13 0.00 0.71 0.00 0.00 52.55 54.44 1wni s ASP 153 Cb -0.18 -2.26 0.17 0.00 1.01 0.00 0.00 42.92 41.66 1wni s ASP 153 CO 0.57 -0.05 1.44 -0.67 0.21 0.00 0.00 175.17 176.67 1wni n ASP 154 N 4.15 5.23 -0.37 0.27 2.03 -1.26 -4.74 116.55 121.86 1wni n ASP 154 Ca -0.07 -2.98 0.32 0.00 0.52 0.00 0.00 54.79 52.58 1wni n ASP 154 Cb 0.51 -1.57 0.55 0.00 -0.72 0.00 0.00 41.12 39.90 1wni n ASP 154 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wni n LYS 155 N 5.54 -0.03 -0.03 -0.67 5.02 -1.26 0.15 118.16 126.87 1wni n LYS 155 Ca 0.37 1.06 -0.08 0.00 -2.02 0.00 0.00 58.31 57.64 1wni n LYS 155 Cb 0.42 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 1wni n LYS 155 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1wni h ASP 156 N 0.00 -0.62 0.00 4.39 1.82 -1.88 0.14 116.42 120.28 1wni h ASP 156 Ca 0.73 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.48 1wni h ASP 156 Cb 2.28 0.30 0.00 0.00 0.68 0.00 0.00 39.33 42.58 1wni h ASP 156 CO -0.43 -0.24 -1.11 2.29 -1.61 0.00 0.00 179.24 178.14 1wni n LYS 157 N -5.34 0.99 0.02 0.28 -0.00 0.58 -4.25 118.16 110.43 1wni n LYS 157 Ca -0.02 -0.05 0.12 0.00 -0.00 0.00 0.00 58.31 58.37 1wni n LYS 157 Cb 0.26 -1.36 0.17 0.00 -0.00 0.00 0.00 35.03 34.10 1wni n LYS 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wni n LYS 159 N -1.73 -3.18 -3.88 0.00 4.76 0.49 -4.70 118.16 109.92 1wni n LYS 159 Ca 0.04 0.91 -0.14 0.00 -2.87 0.00 0.00 58.31 56.25 1wni n LYS 159 Cb 0.38 -5.66 -0.15 0.00 -1.84 0.00 0.00 35.03 27.76 1wni n LYS 159 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wni h GLU 161 N 6.72 0.14 -0.91 0.00 4.39 -1.93 -3.40 114.58 119.58 1wni h GLU 161 Ca -0.35 -0.25 -0.47 0.00 0.34 0.00 0.00 59.36 58.63 1wni h GLU 161 Cb 1.16 0.09 -0.42 0.00 -0.10 0.00 0.00 28.75 29.49 1wni h GLU 161 CO 0.49 1.12 -0.91 0.00 -1.16 0.00 0.00 179.01 178.55 1wni n ALA 162 N -3.13 4.30 -1.68 3.43 0.00 -1.26 -4.87 120.51 117.30 1wni n ALA 162 Ca -0.28 -3.62 -0.31 0.00 0.00 0.00 0.00 53.44 49.23 1wni n ALA 162 Cb 0.83 -0.58 0.05 0.00 0.00 0.00 0.00 19.45 19.76 1wni n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wni h ILE 164 N -0.75 0.50 -0.23 0.00 2.04 -0.67 -2.25 117.51 116.15 1wni h ILE 164 Ca -0.45 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1wni h ILE 164 Cb 1.23 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1wni h ILE 164 CO 0.60 0.09 0.00 0.23 0.00 0.00 0.00 178.15 179.06 1wni n MET 165 N -4.79 2.10 -2.11 2.37 2.81 -1.26 -4.71 117.12 111.52 1wni n MET 165 Ca 0.27 -1.06 -0.41 0.00 -1.81 0.00 0.00 57.70 54.69 1wni n MET 165 Cb 0.84 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.76 1wni n MET 165 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1wni s SER 166 N -0.55 6.77 0.35 7.83 1.04 -0.85 -2.06 113.70 126.23 1wni s SER 166 Ca 0.19 2.63 0.06 0.00 0.48 0.00 0.00 55.95 59.31 1wni s SER 166 Cb 0.13 -2.64 0.74 0.00 0.10 0.00 0.00 66.02 64.35 1wni s SER 166 CO 0.08 -0.56 1.92 -2.24 0.98 0.00 0.00 173.24 173.41 1wni h ASP 167 N 4.07 0.70 -3.36 7.02 2.03 -1.90 -3.40 116.42 121.57 1wni h ASP 167 Ca -0.48 0.02 -0.65 0.00 -0.73 0.00 0.00 57.03 55.20 1wni h ASP 167 Cb 1.22 -0.13 -0.21 0.00 -0.83 0.00 0.00 39.33 39.39 1wni h ASP 167 CO 0.70 0.41 -0.67 -0.69 -1.03 0.00 0.00 179.24 177.96 1wni s VAL 168 N -5.71 3.86 0.07 4.15 1.01 -1.26 -5.07 120.40 117.44 1wni s VAL 168 Ca -0.10 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1wni s VAL 168 Cb 0.20 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1wni s VAL 168 CO 0.78 0.52 1.25 -0.51 0.00 0.00 0.00 175.10 177.14 1wni s ILE 169 N 0.10 3.86 0.81 2.22 2.07 -1.26 -4.99 121.20 124.00 1wni s ILE 169 Ca -0.01 1.32 -0.11 0.00 -1.41 0.00 0.00 60.65 60.44 1wni s ILE 169 Cb -0.14 -3.85 0.07 0.00 0.13 0.00 0.00 42.46 38.68 1wni s ILE 169 CO 0.03 0.09 1.10 -0.94 -1.91 0.00 0.00 174.94 173.31 1wni s SER 170 N 1.13 4.40 0.32 4.50 1.04 -1.26 -4.96 113.70 118.87 1wni s SER 170 Ca 0.60 1.33 0.03 0.00 0.48 0.00 0.00 55.95 58.39 1wni s SER 170 Cb -0.31 -2.06 0.54 0.00 0.10 0.00 0.00 66.02 64.29 1wni s SER 170 CO 0.29 -2.03 1.85 0.44 0.98 0.00 0.00 173.24 174.77 1wni h ASP 171 N -1.13 0.57 -2.47 7.02 3.32 -2.01 -3.30 116.42 118.41 1wni h ASP 171 Ca -0.47 -0.11 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 1wni h ASP 171 Cb 1.27 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 40.28 1wni h ASP 171 CO 0.59 0.63 -0.86 0.29 -1.72 0.00 0.00 179.24 178.16 1wni n LYS 172 N -4.27 0.91 -1.80 3.56 4.01 -1.26 -5.12 118.16 114.18 1wni n LYS 172 Ca 0.02 -3.66 -0.39 0.00 -0.51 0.00 0.00 58.31 53.77 1wni n LYS 172 Cb 0.25 -1.81 0.02 0.00 -0.51 0.00 0.00 35.03 32.99 1wni n LYS 172 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wni s PRO 173 N -0.77 3.52 0.46 1.97 0.04 -1.25 -4.98 135.00 134.00 1wni s PRO 173 Ca 0.32 2.35 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 1wni s PRO 173 Cb 0.05 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1wni s PRO 173 CO -0.16 -0.92 0.74 -1.54 0.04 0.00 0.00 177.00 175.16 1wni s SER 174 N -0.66 6.19 -0.46 6.66 1.04 -0.91 -4.98 113.70 120.58 1wni s SER 174 Ca 0.64 0.78 0.02 0.00 0.48 0.00 0.00 55.95 57.87 1wni s SER 174 Cb -0.42 -2.12 0.52 0.00 0.10 0.00 0.00 66.02 64.10 1wni s SER 174 CO 0.53 -0.57 1.88 2.29 0.98 0.00 0.00 173.24 178.35 1wni n LYS 175 N -2.18 2.22 -4.31 4.02 2.85 -1.26 -4.45 118.16 115.05 1wni n LYS 175 Ca -0.00 -2.72 -0.29 0.00 -1.05 0.00 0.00 58.31 54.26 1wni n LYS 175 Cb 0.56 -2.07 -0.11 0.00 -0.65 0.00 0.00 35.03 32.76 1wni n LYS 175 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wni s LEU 176 N -3.04 2.76 -0.03 -5.58 1.02 -1.26 -4.77 118.68 107.78 1wni s LEU 176 Ca 0.52 -0.58 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1wni s LEU 176 Cb 0.43 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 1wni s LEU 176 CO 0.06 0.16 0.13 -0.36 0.02 0.00 0.00 176.35 176.36 1wni s PHE 177 N -1.32 3.45 0.61 0.29 0.08 -1.26 -0.04 117.98 119.79 1wni s PHE 177 Ca 0.20 0.33 -0.09 0.00 0.12 0.00 0.00 56.93 57.49 1wni s PHE 177 Cb -0.10 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1wni s PHE 177 CO 0.11 0.62 0.98 -1.54 -0.10 0.00 0.00 175.22 175.30 1wni s SER 178 N -1.65 5.91 0.34 1.36 1.04 -1.26 -4.91 113.70 114.52 1wni s SER 178 Ca 0.23 1.13 0.07 0.00 0.48 0.00 0.00 55.95 57.86 1wni s SER 178 Cb -0.12 -2.15 0.75 0.00 0.10 0.00 0.00 66.02 64.59 1wni s SER 178 CO 0.14 -0.98 1.87 0.44 0.98 0.00 0.00 173.24 175.69 1wni h ASP 179 N -0.29 0.72 -0.70 7.02 3.45 -1.99 0.92 116.42 125.55 1wni h ASP 179 Ca -0.45 0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.08 1wni h ASP 179 Cb 1.22 -0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 39.84 1wni h ASP 179 CO 0.62 0.38 0.43 0.00 -1.57 0.00 0.00 179.24 179.10 1wni h SER 181 N 0.83 0.29 -0.10 0.00 0.02 -1.18 -2.37 113.55 111.04 1wni h SER 181 Ca 0.29 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 1wni h SER 181 Cb 0.05 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1wni h SER 181 CO -0.12 0.61 -0.47 0.11 -1.14 0.00 0.00 176.83 175.82 1wni h LYS 182 N 0.25 0.65 -0.13 3.45 1.57 -0.61 -1.01 116.57 120.73 1wni h LYS 182 Ca 0.03 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.31 1wni h LYS 182 Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1wni h LYS 182 CO 0.05 0.98 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.51 1wni h ASN 183 N 0.52 0.37 -0.21 0.86 2.35 -1.03 -0.98 115.58 117.46 1wni h ASN 183 Ca 0.03 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1wni h ASN 183 Cb 1.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1wni h ASN 183 CO 0.09 0.80 -0.00 0.44 -1.65 0.00 0.00 177.43 177.12 1wni h ASP 184 N 0.28 0.37 -0.80 5.81 3.32 -1.09 -0.16 116.42 124.14 1wni h ASP 184 Ca 0.01 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1wni h ASP 184 Cb 0.96 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1wni h ASP 184 CO 0.08 0.59 0.40 0.22 -1.72 0.00 0.00 179.24 178.81 1wni h TYR 185 N 0.14 1.14 -0.82 4.55 3.20 -1.11 0.21 116.97 124.28 1wni h TYR 185 Ca 0.06 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1wni h TYR 185 Cb 0.40 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1wni h TYR 185 CO 0.03 0.82 0.48 0.37 -1.64 0.00 0.00 178.16 178.22 1wni h GLN 186 N 1.13 1.13 -0.15 1.82 4.15 -1.02 0.02 115.11 122.19 1wni h GLN 186 Ca 0.28 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.45 1wni h GLN 186 Cb 0.09 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1wni h GLN 186 CO -0.04 0.81 -0.47 1.15 -1.93 0.00 0.00 178.83 178.35 1wni h THR 187 N 1.14 1.32 -0.01 2.39 2.02 -0.43 -1.89 112.91 117.45 1wni h THR 187 Ca 0.29 -1.67 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1wni h THR 187 Cb -0.01 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1wni h THR 187 CO -0.05 0.51 0.00 0.15 0.37 0.00 0.00 175.52 176.50 1wni h PHE 188 N 0.31 0.02 0.25 3.16 3.57 0.72 -0.57 116.94 124.39 1wni h PHE 188 Ca 0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1wni h PHE 188 Cb 0.95 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1wni h PHE 188 CO 0.03 0.23 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.08 1wni h LEU 189 N -0.20 -0.47 -0.19 0.59 3.38 -1.03 0.37 115.31 117.75 1wni h LEU 189 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1wni h LEU 189 Cb 0.22 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1wni h LEU 189 CO -0.00 -0.29 -0.17 0.74 0.09 0.00 0.00 178.44 178.81 1wni h THR 190 N -0.44 0.53 0.10 0.22 2.02 -1.29 0.14 112.91 114.19 1wni h THR 190 Ca -0.02 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.88 1wni h THR 190 Cb 0.38 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1wni h THR 190 CO -0.00 0.00 -1.37 0.50 0.37 0.00 0.00 175.52 175.02 1wni h LYS 191 N -0.19 0.22 0.00 6.66 3.64 -1.09 -3.40 116.57 122.40 1wni h LYS 191 Ca 0.12 -0.37 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 1wni h LYS 191 Cb 0.37 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1wni h LYS 191 CO -0.30 1.11 -1.61 0.66 -2.27 0.00 0.00 179.45 177.03 1wni n TYR 192 N -3.45 0.00 -3.71 1.91 4.02 0.10 -5.07 117.16 110.96 1wni n TYR 192 Ca -0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.51 1wni n TYR 192 Cb 1.02 -0.44 0.01 0.00 -0.02 0.00 0.00 39.34 39.91 1wni n TYR 192 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wni n ASN 193 N -2.33 -3.48 -4.66 7.72 5.15 0.04 -4.79 115.26 112.90 1wni n ASN 193 Ca -0.15 -0.86 -0.53 0.00 -0.60 0.00 0.00 54.58 52.44 1wni n ASN 193 Cb 0.79 -1.22 -0.06 0.00 -0.53 0.00 0.00 39.78 38.75 1wni n ASN 193 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1wni n PRO 194 N -2.94 1.56 0.05 1.20 -0.02 -1.26 -4.83 135.00 128.75 1wni n PRO 194 Ca -0.19 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1wni n PRO 194 Cb 0.50 -2.38 0.47 0.00 -0.02 0.00 0.00 33.50 32.07 1wni n PRO 194 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1wni n GLN 195 N 6.35 0.10 0.23 -0.52 1.13 -1.26 -3.26 117.38 120.15 1wni n GLN 195 Ca 0.27 0.19 0.13 0.00 -1.94 0.00 0.00 57.00 55.64 1wni n GLN 195 Cb 0.21 -1.64 0.28 0.00 0.11 0.00 0.00 30.24 29.20 1wni n GLN 195 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wni n ILE 197 N -3.11 1.01 0.03 0.00 -5.35 -1.20 -4.40 119.36 106.33 1wni n ILE 197 Ca 0.03 -0.96 -0.20 0.00 -0.27 0.00 0.00 62.75 61.35 1wni n ILE 197 Cb 0.49 0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 38.74 1wni n ILE 197 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1wni h LEU 198 N 4.15 0.91 -9.39 7.28 3.38 -1.71 -0.57 115.31 119.36 1wni h LEU 198 Ca 0.00 -0.72 -0.62 0.00 0.09 0.00 0.00 57.88 56.63 1wni h LEU 198 Cb 0.98 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.33 1wni h LEU 198 CO 0.02 1.50 -0.70 0.20 0.09 0.00 0.00 178.44 179.55 1wni s ASN 199 N -7.23 4.49 0.00 -0.43 0.01 -1.26 -4.73 114.94 105.78 1wni s ASN 199 Ca -0.10 -0.47 0.28 0.00 -0.71 0.00 0.00 52.86 51.86 1wni s ASN 199 Cb 0.07 -0.86 1.09 0.00 0.41 0.00 0.00 41.25 41.96 1wni s ASN 199 CO 0.91 0.11 1.77 0.00 -1.51 0.00 0.00 177.10 178.38