#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r n ARG 12 N 0.00 0.32 -3.64 1.97 0.63 -1.26 -5.02 116.66 109.67 2x9r n ARG 12 Ca 0.00 0.16 -0.19 0.00 -0.92 0.00 0.00 57.85 56.90 2x9r n ARG 12 Cb 0.00 -2.01 -0.16 0.00 0.45 0.00 0.00 32.46 30.74 2x9r n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2x9r s GLN 13 N -3.11 0.03 -0.10 -0.14 -0.21 -1.26 -5.03 119.66 109.85 2x9r s GLN 13 Ca 0.68 0.39 -0.02 0.00 0.02 0.00 0.00 55.36 56.44 2x9r s GLN 13 Cb -0.33 -0.65 -0.03 0.00 1.00 0.00 0.00 33.01 32.99 2x9r s GLN 13 CO 0.55 -0.41 -0.02 0.14 -2.12 0.00 0.00 175.29 173.43 2x9r s VAL 14 N 2.25 4.07 -0.57 1.09 -7.23 -1.25 -4.99 120.40 113.77 2x9r s VAL 14 Ca 0.04 -0.33 0.24 0.00 -1.81 0.00 0.00 61.98 60.12 2x9r s VAL 14 Cb -0.13 -2.72 0.17 0.00 0.56 0.00 0.00 36.38 34.26 2x9r s VAL 14 CO -0.06 0.58 1.47 0.00 -0.31 0.00 0.00 175.10 176.77 2x9r h ALA 15 N 5.53 0.77 -3.79 1.32 0.00 -1.84 -3.35 119.26 117.89 2x9r h ALA 15 Ca -0.46 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 2x9r h ALA 15 Cb 1.19 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 2x9r h ALA 15 CO 0.56 0.00 -0.83 0.45 0.00 0.00 0.00 179.25 179.43 2x9r s SER 16 N -4.84 3.62 0.00 0.00 0.15 -1.26 -1.43 113.70 109.94 2x9r s SER 16 Ca 0.07 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2x9r s SER 16 Cb 0.11 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2x9r s SER 16 CO 0.68 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.91 2x9r n GLY 17 N 0.83 1.37 3.22 9.45 0.00 -0.97 -3.99 105.19 115.10 2x9r n GLY 17 Ca -0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2x9r n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9r s ARG 18 N 1.89 1.06 -0.04 1.61 0.52 -1.22 -3.17 118.95 119.61 2x9r s ARG 18 Ca 0.00 -1.51 -0.02 0.00 -0.52 0.00 0.00 55.73 53.68 2x9r s ARG 18 Cb 0.00 -0.13 0.03 0.00 0.52 0.00 0.00 34.95 35.37 2x9r s ARG 18 CO 0.00 -0.17 0.05 0.00 0.02 0.00 0.00 175.30 175.20 2x9r s ALA 19 N -3.76 0.24 -0.16 2.13 0.00 -0.42 -0.31 121.76 119.49 2x9r s ALA 19 Ca 0.24 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 2x9r s ALA 19 Cb 0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2x9r s ALA 19 CO 0.03 -0.42 0.07 0.71 0.00 0.00 0.00 175.76 176.16 2x9r s TYR 20 N 1.96 3.32 -0.22 0.00 1.51 0.04 -1.03 117.35 122.93 2x9r s TYR 20 Ca 0.02 0.21 -0.05 0.00 -1.01 0.00 0.00 57.07 56.24 2x9r s TYR 20 Cb -0.12 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.69 2x9r s TYR 20 CO -0.03 0.33 -0.01 0.42 -1.11 0.00 0.00 175.55 175.15 2x9r s ILE 21 N -0.09 3.75 -0.36 2.71 1.09 -0.34 -0.46 121.20 127.50 2x9r s ILE 21 Ca 0.07 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.26 2x9r s ILE 21 Cb -0.12 -2.71 0.09 0.00 -1.06 0.00 0.00 42.46 38.67 2x9r s ILE 21 CO 0.01 0.41 0.10 -2.28 -0.10 0.00 0.00 174.94 173.08 2x9r s HIS 22 N 1.31 3.60 -0.42 3.97 2.46 0.24 -0.31 115.29 126.13 2x9r s HIS 22 Ca 0.04 -2.57 -0.08 0.00 0.47 0.00 0.00 55.06 52.92 2x9r s HIS 22 Cb -0.15 -2.88 0.09 0.00 -0.13 0.00 0.00 32.58 29.52 2x9r s HIS 22 CO 0.00 -0.94 0.26 0.00 -2.47 0.00 0.00 174.74 171.59 2x9r s ALA 23 N 1.06 3.27 -0.18 1.58 0.00 -0.52 0.19 121.76 127.16 2x9r s ALA 23 Ca 0.06 -2.29 -0.02 0.00 0.00 0.00 0.00 51.96 49.71 2x9r s ALA 23 Cb -0.21 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 2x9r s ALA 23 CO -0.05 -1.72 -0.08 -1.54 0.00 0.00 0.00 175.76 172.37 2x9r s SER 24 N 2.16 4.20 0.00 0.00 1.04 0.25 -0.29 113.70 121.06 2x9r s SER 24 Ca 0.04 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2x9r s SER 24 Cb -0.24 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2x9r s SER 24 CO 0.00 0.07 0.00 -1.22 0.98 0.00 0.00 173.24 173.07 2x9r n TYR 25 N 4.17 0.00 0.03 5.02 4.02 -1.20 0.25 117.16 129.45 2x9r n TYR 25 Ca -0.18 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.75 2x9r n TYR 25 Cb 0.52 -0.37 -0.09 0.00 -0.02 0.00 0.00 39.34 39.38 2x9r n TYR 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x9r n ASN 26 N -2.41 0.61 -3.93 7.72 2.85 -1.26 -4.58 115.26 114.27 2x9r n ASN 26 Ca 0.00 0.26 -0.08 0.00 -0.11 0.00 0.00 54.58 54.64 2x9r n ASN 26 Cb 0.00 0.65 -0.04 0.00 1.24 0.00 0.00 39.78 41.63 2x9r n ASN 26 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2x9r s ASN 27 N -5.42 -0.16 -0.02 1.20 2.47 0.70 -0.01 114.94 113.70 2x9r s ASN 27 Ca -0.04 -0.78 0.02 0.00 0.42 0.00 0.00 52.86 52.47 2x9r s ASN 27 Cb 0.10 0.63 0.01 0.00 -1.45 0.00 0.00 41.25 40.53 2x9r s ASN 27 CO 0.83 -1.19 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.07 2x9r s THR 28 N -3.97 0.51 -0.03 -5.21 2.01 -1.24 0.85 115.64 108.55 2x9r s THR 28 Ca 0.17 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 2x9r s THR 28 Cb -0.02 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 72.03 2x9r s THR 28 CO 0.07 0.18 0.03 -0.51 -0.69 0.00 0.00 174.62 173.70 2x9r s ILE 29 N 0.40 0.01 -0.09 1.82 2.07 0.49 -1.96 121.20 123.94 2x9r s ILE 29 Ca -0.05 0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.45 2x9r s ILE 29 Cb -0.09 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 2x9r s ILE 29 CO -0.00 0.14 -0.13 0.68 -1.91 0.00 0.00 174.94 173.72 2x9r s VAL 30 N 1.46 3.10 -0.10 4.00 -7.23 -0.03 0.80 120.40 122.40 2x9r s VAL 30 Ca -0.04 -0.68 -0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2x9r s VAL 30 Cb -0.13 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.57 2x9r s VAL 30 CO -0.03 0.56 -0.07 0.28 -0.31 0.00 0.00 175.10 175.53 2x9r s THR 31 N -0.16 0.93 -0.30 5.32 -1.32 0.39 -1.25 115.64 119.25 2x9r s THR 31 Ca -0.00 -0.25 -0.20 0.00 -1.21 0.00 0.00 61.69 60.02 2x9r s THR 31 Cb -0.13 -0.96 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 2x9r s THR 31 CO 0.03 0.35 0.63 -0.63 -2.21 0.00 0.00 174.62 172.78 2x9r s ILE 32 N 1.56 4.94 0.00 5.08 1.01 0.56 -0.78 121.20 133.57 2x9r s ILE 32 Ca 0.02 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.53 2x9r s ILE 32 Cb -0.13 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2x9r s ILE 32 CO -0.06 -0.13 0.00 0.35 0.00 0.00 0.00 174.94 175.10 2x9r n THR 33 N 5.38 0.00 -3.73 2.92 -2.24 0.58 -0.83 114.28 116.35 2x9r n THR 33 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2x9r n THR 33 Cb 0.49 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2x9r n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2x9r n ASP 34 N -0.19 1.71 0.00 3.42 3.85 -0.97 -3.38 116.55 120.98 2x9r n ASP 34 Ca 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 2x9r n ASP 34 Cb 0.00 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 2x9r n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 2x9r n PRO 35 N -0.13 0.00 -2.09 0.11 -0.02 -1.26 -2.71 135.00 128.91 2x9r n PRO 35 Ca 0.00 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 2x9r n PRO 35 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 2x9r n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2x9r n ASP 36 N -1.44 3.63 0.00 2.55 10.43 -1.26 -4.97 116.55 125.49 2x9r n ASP 36 Ca 0.00 -3.25 0.00 0.00 2.57 0.00 0.00 54.79 54.11 2x9r n ASP 36 Cb 0.01 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.58 2x9r n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2x9r n GLY 37 N -0.67 0.85 3.58 0.44 0.00 -1.10 -4.89 105.19 103.40 2x9r n GLY 37 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 2x9r n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x9r n ASN 38 N 0.04 2.94 -4.53 1.61 3.02 -1.26 -4.56 115.26 112.52 2x9r n ASN 38 Ca 0.00 0.04 -0.54 0.00 -0.03 0.00 0.00 54.58 54.05 2x9r n ASN 38 Cb 0.00 -1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 37.57 2x9r n ASN 38 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2x9r n PRO 39 N 8.79 0.51 -0.10 3.52 -0.02 -1.26 -2.29 135.00 144.16 2x9r n PRO 39 Ca 0.33 0.18 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 2x9r n PRO 39 Cb 0.45 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 2x9r n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2x9r n ILE 40 N 1.66 1.10 -3.55 4.25 2.08 -0.01 -4.87 119.36 120.01 2x9r n ILE 40 Ca 0.19 -0.36 -0.08 0.00 0.56 0.00 0.00 62.75 63.06 2x9r n ILE 40 Cb 0.15 -1.41 -0.03 0.00 -0.75 0.00 0.00 39.64 37.60 2x9r n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2x9r s THR 41 N -2.38 0.00 0.23 1.39 -1.32 -0.90 -5.04 115.64 107.62 2x9r s THR 41 Ca -0.27 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.17 2x9r s THR 41 Cb 0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2x9r s THR 41 CO 0.41 0.00 0.27 -1.66 -2.21 0.00 0.00 174.62 171.43 2x9r s TRP 42 N -2.31 0.91 -0.06 9.09 1.48 -1.26 -0.32 118.94 126.47 2x9r s TRP 42 Ca 0.05 -1.16 -0.30 0.00 -1.06 0.00 0.00 56.10 53.62 2x9r s TRP 42 Cb -0.01 -0.29 0.11 0.00 -1.16 0.00 0.00 33.47 32.13 2x9r s TRP 42 CO -0.05 -0.79 0.96 0.45 -4.06 0.00 0.00 176.95 173.46 2x9r s SER 43 N -3.12 -0.32 0.35 -2.66 0.15 -0.38 -4.80 113.70 102.91 2x9r s SER 43 Ca 0.33 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 2x9r s SER 43 Cb 0.04 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2x9r s SER 43 CO 0.12 -0.52 0.59 -1.54 1.20 0.00 0.00 173.24 173.09 2x9r n SER 44 N -0.11 -1.68 -0.34 5.45 3.41 -1.26 -0.85 113.62 118.23 2x9r n SER 44 Ca -0.07 -2.67 0.06 0.00 -0.26 0.00 0.00 58.87 55.92 2x9r n SER 44 Cb 0.61 2.94 0.23 0.00 -0.26 0.00 0.00 64.21 67.73 2x9r n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x9r h GLY 45 N 1.87 1.50 1.34 5.00 0.00 -1.65 -1.91 103.07 109.22 2x9r h GLY 45 Ca -0.28 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 2x9r h GLY 45 CO 0.37 0.24 -0.03 -1.33 0.00 0.00 0.00 176.54 175.80 2x9r h GLY 46 N 1.03 0.86 0.92 4.60 0.00 -1.86 -2.78 103.07 105.84 2x9r h GLY 46 Ca 0.45 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2x9r h GLY 46 CO -0.21 0.55 0.12 -2.08 0.00 0.00 0.00 176.54 174.93 2x9r h VAL 47 N 0.74 1.18 -1.07 4.60 2.07 -1.65 -2.77 116.25 119.35 2x9r h VAL 47 Ca 0.14 -0.55 0.28 0.00 0.82 0.00 0.00 66.70 67.39 2x9r h VAL 47 Cb 0.49 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 2x9r h VAL 47 CO 0.02 0.19 0.69 0.40 0.02 0.00 0.00 177.57 178.90 2x9r h ILE 48 N 0.35 0.49 0.00 4.57 1.08 -1.24 -3.45 117.51 119.31 2x9r h ILE 48 Ca 0.10 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2x9r h ILE 48 Cb 0.18 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2x9r h ILE 48 CO -0.01 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 2x9r n GLY 49 N -1.50 1.12 3.67 5.37 0.00 -1.05 -5.11 105.19 107.71 2x9r n GLY 49 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2x9r n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x9r s TYR 50 N -0.82 3.43 -0.09 1.61 4.12 -1.07 -5.01 117.35 119.53 2x9r s TYR 50 Ca 0.00 1.40 0.02 0.00 0.02 0.00 0.00 57.07 58.51 2x9r s TYR 50 Cb 0.00 -3.12 0.01 0.00 -1.52 0.00 0.00 41.96 37.34 2x9r s TYR 50 CO 0.00 -0.28 -0.15 0.21 0.02 0.00 0.00 175.55 175.35 2x9r s LYS 51 N 2.30 2.11 0.00 -0.62 2.20 -1.26 -3.50 119.74 120.97 2x9r s LYS 51 Ca 0.42 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 2x9r s LYS 51 Cb -0.17 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 2x9r s LYS 51 CO 0.13 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 2x9r n GLY 52 N 3.91 0.14 0.11 5.54 0.00 -1.26 -4.59 105.19 109.04 2x9r n GLY 52 Ca -0.21 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.29 2x9r n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x9r h SER 53 N 0.00 0.00 0.00 1.61 4.64 -1.96 -3.36 113.55 114.48 2x9r h SER 53 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2x9r h SER 53 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2x9r h SER 53 CO 0.00 0.48 -0.01 0.54 -0.87 0.00 0.00 176.83 176.96 2x9r n ARG 54 N -2.93 0.81 0.00 4.77 1.74 -1.26 -2.46 116.66 117.32 2x9r n ARG 54 Ca -0.06 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 2x9r n ARG 54 Cb 0.77 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2x9r n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9r n LYS 55 N 2.05 2.40 0.00 5.56 5.02 -1.26 -4.55 118.16 127.38 2x9r n LYS 55 Ca 0.09 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.53 2x9r n LYS 55 Cb 0.39 -0.91 0.74 0.00 -0.02 0.00 0.00 35.03 35.22 2x9r n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x9r n GLY 56 N 2.71 -1.17 3.73 0.72 0.00 0.99 -3.66 105.19 108.51 2x9r n GLY 56 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2x9r n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x9r s THR 57 N -2.50 2.42 0.13 2.61 -1.32 -1.26 -3.41 115.64 112.31 2x9r s THR 57 Ca 0.30 0.20 -0.16 0.00 -1.21 0.00 0.00 61.69 60.83 2x9r s THR 57 Cb 0.20 -2.76 -0.01 0.00 -1.51 0.00 0.00 72.50 68.43 2x9r s THR 57 CO 0.46 -0.11 1.66 1.55 -2.21 0.00 0.00 174.62 175.96 2x9r h PRO 58 N -0.29 0.62 -0.70 7.08 0.13 -1.86 -2.00 132.00 134.98 2x9r h PRO 58 Ca -0.47 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 2x9r h PRO 58 Cb 1.29 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2x9r h PRO 58 CO 0.50 0.61 0.39 -0.92 -0.23 0.00 0.00 178.00 178.35 2x9r h TYR 59 N 0.50 0.95 0.44 1.56 3.20 -1.93 0.12 116.97 121.80 2x9r h TYR 59 Ca 0.13 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2x9r h TYR 59 Cb 0.24 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2x9r h TYR 59 CO 0.01 0.65 -0.21 0.00 -1.64 0.00 0.00 178.16 176.97 2x9r h ALA 60 N 1.45 -0.59 0.00 1.82 0.00 -1.84 -0.73 119.26 119.37 2x9r h ALA 60 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2x9r h ALA 60 Cb 0.01 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x9r h ALA 60 CO -0.04 -0.68 0.09 0.00 0.00 0.00 0.00 179.25 178.62 2x9r h ALA 61 N -0.49 1.09 0.00 0.00 0.00 -1.11 0.08 119.26 118.83 2x9r h ALA 61 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2x9r h ALA 61 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2x9r h ALA 61 CO 0.10 -0.09 -0.00 0.37 0.00 0.00 0.00 179.25 179.63 2x9r h GLN 62 N 0.00 -0.00 -1.13 0.00 4.15 -0.32 -2.92 115.11 114.89 2x9r h GLN 62 Ca 0.00 0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.78 2x9r h GLN 62 Cb 0.18 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.74 2x9r h GLN 62 CO 0.00 -0.00 0.69 -0.07 -1.93 0.00 0.00 178.83 177.52 2x9r h LEU 63 N -0.02 0.39 -0.20 -2.39 3.38 -0.77 0.40 115.31 116.10 2x9r h LEU 63 Ca -0.00 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2x9r h LEU 63 Cb 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2x9r h LEU 63 CO 0.00 -0.12 0.05 0.00 0.09 0.00 0.00 178.44 178.46 2x9r h ALA 64 N 1.72 0.26 -0.01 1.53 0.00 -1.11 -1.36 119.26 120.29 2x9r h ALA 64 Ca 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2x9r h ALA 64 Cb 2.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 2x9r h ALA 64 CO -0.48 -0.09 0.01 0.00 0.00 0.00 0.00 179.25 178.69 2x9r h ALA 65 N 0.86 1.54 0.00 0.00 0.00 -0.71 -2.22 119.26 118.72 2x9r h ALA 65 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2x9r h ALA 65 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2x9r h ALA 65 CO 0.00 -0.02 -0.04 -0.07 0.00 0.00 0.00 179.25 179.13 2x9r h LEU 66 N 0.00 0.00 -1.31 0.00 3.38 -1.18 -2.53 115.31 113.67 2x9r h LEU 66 Ca 0.00 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.33 2x9r h LEU 66 Cb 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.65 2x9r h LEU 66 CO -0.00 0.35 0.73 -0.78 0.09 0.00 0.00 178.44 178.83 2x9r h ASP 67 N -0.66 0.36 -0.00 -0.43 1.82 -1.18 2.40 116.42 118.73 2x9r h ASP 67 Ca 0.00 0.13 -0.17 0.00 -0.39 0.00 0.00 57.03 56.61 2x9r h ASP 67 Cb 0.04 0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.15 2x9r h ASP 67 CO 0.00 -0.09 -0.65 0.00 -1.61 0.00 0.00 179.24 176.89 2x9r h ALA 68 N 1.66 0.08 -0.68 -0.78 0.00 -1.55 -0.60 119.26 117.39 2x9r h ALA 68 Ca 0.73 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x9r h ALA 68 Cb 2.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 2x9r h ALA 68 CO -0.42 0.38 0.42 0.00 0.00 0.00 0.00 179.25 179.64 2x9r h ALA 69 N 0.33 0.87 0.56 0.00 0.00 0.10 -2.29 119.26 118.82 2x9r h ALA 69 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2x9r h ALA 69 Cb 1.35 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2x9r h ALA 69 CO 0.13 0.33 -0.27 -0.22 0.00 0.00 0.00 179.25 179.22 2x9r h LYS 70 N 0.92 -0.72 -0.94 0.00 3.64 0.36 -2.98 116.57 116.86 2x9r h LYS 70 Ca 0.25 0.05 0.37 0.00 -1.27 0.00 0.00 60.65 60.05 2x9r h LYS 70 Cb -0.05 0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 31.76 2x9r h LYS 70 CO -0.05 -0.48 0.43 1.63 -2.27 0.00 0.00 179.45 178.71 2x9r n LYS 71 N -4.18 -0.06 0.00 1.90 5.02 -0.24 0.18 118.16 120.79 2x9r n LYS 71 Ca -0.09 1.32 0.04 0.00 -2.02 0.00 0.00 58.31 57.55 2x9r n LYS 71 Cb 0.29 -2.32 0.18 0.00 -0.02 0.00 0.00 35.03 33.16 2x9r n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9r n ALA 72 N -2.44 1.45 -0.01 7.82 0.00 -0.87 -2.83 120.51 123.62 2x9r n ALA 72 Ca 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 2x9r n ALA 72 Cb 1.14 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 2x9r n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2x9r h MET 73 N 0.00 0.28 -0.64 0.00 2.86 0.18 0.40 114.93 118.01 2x9r h MET 73 Ca 0.00 -0.29 0.14 0.00 -2.06 0.00 0.00 59.70 57.48 2x9r h MET 73 Cb 0.10 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.73 2x9r h MET 73 CO 0.00 0.99 -0.01 0.00 1.06 0.00 0.00 176.91 178.95 2x9r h ALA 74 N 0.29 0.62 0.00 6.32 0.00 -1.66 1.23 119.26 126.06 2x9r h ALA 74 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x9r h ALA 74 Cb 1.13 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2x9r h ALA 74 CO 0.08 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.59 2x9r n TYR 75 N -5.30 0.00 -0.96 0.00 4.02 -1.23 -4.86 117.16 108.82 2x9r n TYR 75 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2x9r n TYR 75 Cb 0.37 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 2x9r n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x9r n GLY 76 N -0.12 1.17 3.75 2.72 0.00 0.42 -3.83 105.19 109.31 2x9r n GLY 76 Ca 0.05 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2x9r n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2x9r s MET 77 N -2.41 4.65 0.00 1.61 0.00 0.14 -3.66 119.30 119.63 2x9r s MET 77 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 55.69 57.41 2x9r s MET 77 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 34.83 31.59 2x9r s MET 77 CO 0.00 0.20 0.00 1.04 0.00 0.00 0.00 175.02 176.26 2x9r n GLN 78 N 1.76 0.00 -5.28 4.11 6.02 -0.51 -4.56 117.38 118.92 2x9r n GLN 78 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2x9r n GLN 78 Cb 0.46 -0.12 -0.16 0.00 1.02 0.00 0.00 30.24 31.43 2x9r n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2x9r s SER 79 N -4.84 3.06 0.12 1.08 1.04 -1.12 -1.11 113.70 111.92 2x9r s SER 79 Ca 0.00 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2x9r s SER 79 Cb 0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.43 2x9r s SER 79 CO 0.00 0.27 0.07 1.33 0.98 0.00 0.00 173.24 175.89 2x9r n VAL 80 N 2.79 0.00 -3.72 5.02 0.24 -0.86 -2.28 118.33 119.53 2x9r n VAL 80 Ca -0.17 -0.77 -0.19 0.00 -2.04 0.00 0.00 64.34 61.17 2x9r n VAL 80 Cb 0.52 0.34 -0.17 0.00 -1.47 0.00 0.00 33.84 33.05 2x9r n VAL 80 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2x9r s ASP 81 N -1.77 0.92 -0.09 -1.34 1.11 -1.19 -2.27 116.67 112.04 2x9r s ASP 81 Ca 0.10 0.05 -0.21 0.00 0.18 0.00 0.00 52.55 52.67 2x9r s ASP 81 Cb 0.00 -0.16 -0.04 0.00 1.07 0.00 0.00 42.92 43.80 2x9r s ASP 81 CO 0.07 -0.21 0.58 -0.69 1.18 0.00 0.00 175.17 176.10 2x9r s VAL 82 N 1.85 5.11 -0.29 -1.27 1.01 0.20 -1.30 120.40 125.71 2x9r s VAL 82 Ca 0.01 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2x9r s VAL 82 Cb -0.12 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.42 2x9r s VAL 82 CO -0.03 0.30 0.01 -0.63 0.00 0.00 0.00 175.10 174.75 2x9r s ILE 83 N 0.65 1.75 -0.11 2.22 1.01 -0.19 -0.42 121.20 126.11 2x9r s ILE 83 Ca 0.31 -1.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.04 2x9r s ILE 83 Cb -0.16 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2x9r s ILE 83 CO 0.14 -0.41 0.46 0.68 0.00 0.00 0.00 174.94 175.81 2x9r s VAL 84 N 1.22 5.17 -0.09 2.92 -7.23 -0.36 -1.19 120.40 120.84 2x9r s VAL 84 Ca 0.04 0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 61.11 2x9r s VAL 84 Cb -0.19 -3.79 0.03 0.00 0.56 0.00 0.00 36.38 32.99 2x9r s VAL 84 CO -0.11 0.36 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.88 2x9r s ARG 85 N 0.39 1.01 0.00 4.82 0.52 0.58 -0.71 118.95 125.56 2x9r s ARG 85 Ca 0.25 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2x9r s ARG 85 Cb -0.15 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.09 2x9r s ARG 85 CO 0.10 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2x9r n GLY 86 N 5.03 0.72 3.64 -3.53 0.00 -1.26 -1.44 105.19 108.35 2x9r n GLY 86 Ca -0.10 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 2x9r n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9r s THR 87 N -1.32 0.00 0.00 2.61 2.01 0.60 -4.90 115.64 114.64 2x9r s THR 87 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2x9r s THR 87 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2x9r s THR 87 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2x9r n GLY 88 N 3.02 2.76 0.00 4.40 0.00 -1.26 -3.25 105.19 110.85 2x9r n GLY 88 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2x9r n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9r n ALA 89 N -0.81 0.51 -0.25 4.61 0.00 -1.24 0.04 120.51 123.37 2x9r n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x9r n ALA 89 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2x9r n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9r n GLY 90 N -0.98 -0.67 0.32 0.00 0.00 -1.22 -2.85 105.19 99.79 2x9r n GLY 90 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2x9r n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2x9r h ARG 91 N 0.00 1.10 0.25 1.61 1.12 -0.75 -1.68 114.38 116.04 2x9r h ARG 91 Ca 0.00 -0.15 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 2x9r h ARG 91 Cb 0.17 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2x9r h ARG 91 CO 0.00 0.85 -0.12 1.49 -3.11 0.00 0.00 179.97 179.08 2x9r h GLU 92 N 1.09 -0.33 -0.99 0.20 4.57 -1.86 -3.18 114.58 114.07 2x9r h GLU 92 Ca 0.27 0.02 0.34 0.00 -1.18 0.00 0.00 59.36 58.81 2x9r h GLU 92 Cb 0.09 0.07 -0.18 0.00 -0.16 0.00 0.00 28.75 28.58 2x9r h GLU 92 CO -0.04 -0.22 0.29 1.96 -1.18 0.00 0.00 179.01 179.82 2x9r h GLN 93 N -0.52 0.03 0.00 1.92 1.08 -1.86 0.90 115.11 116.66 2x9r h GLN 93 Ca -0.03 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2x9r h GLN 93 Cb 0.26 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2x9r h GLN 93 CO 0.06 0.02 -0.40 0.00 -0.95 0.00 0.00 178.83 177.56 2x9r h ALA 94 N 1.97 -0.84 -0.07 3.87 0.00 -1.33 1.70 119.26 124.57 2x9r h ALA 94 Ca 0.71 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.58 2x9r h ALA 94 Cb 1.69 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 20.26 2x9r h ALA 94 CO -0.83 -0.96 -0.53 0.82 0.00 0.00 0.00 179.25 177.75 2x9r h ILE 95 N -0.50 0.01 0.03 0.00 2.04 -0.83 -1.63 117.51 116.62 2x9r h ILE 95 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2x9r h ILE 95 Cb 0.54 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2x9r h ILE 95 CO -0.27 0.00 -0.31 0.03 0.00 0.00 0.00 178.15 177.60 2x9r h ARG 96 N -0.63 -0.40 -0.88 2.37 3.08 -0.91 -2.22 114.38 114.79 2x9r h ARG 96 Ca 0.03 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.34 2x9r h ARG 96 Cb 0.70 0.09 -0.16 0.00 0.08 0.00 0.00 29.97 30.68 2x9r h ARG 96 CO -0.40 -0.27 0.00 0.00 -1.07 0.00 0.00 179.97 178.24 2x9r n ALA 97 N -2.76 0.44 0.21 0.04 0.00 0.58 -0.10 120.51 118.91 2x9r n ALA 97 Ca -0.05 0.94 -0.15 0.00 0.00 0.00 0.00 53.44 54.19 2x9r n ALA 97 Cb 0.24 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 2x9r n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9r h LEU 98 N 0.00 -0.41 -0.10 0.00 3.38 -0.72 -3.21 115.31 114.25 2x9r h LEU 98 Ca 0.53 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.49 2x9r h LEU 98 Cb 1.07 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2x9r h LEU 98 CO -0.83 -0.24 -0.22 1.56 0.09 0.00 0.00 178.44 178.79 2x9r h GLN 99 N -0.55 -0.20 -3.80 1.13 4.20 -0.08 -2.97 115.11 112.84 2x9r h GLN 99 Ca -0.05 0.01 -0.40 0.00 0.06 0.00 0.00 58.65 58.27 2x9r h GLN 99 Cb 0.41 0.04 0.03 0.00 0.30 0.00 0.00 27.48 28.26 2x9r h GLN 99 CO 0.08 -0.13 2.29 0.00 -0.67 0.00 0.00 178.83 180.41 2x9r n ALA 100 N -2.79 3.78 0.00 3.87 0.00 -0.56 -4.16 120.51 120.65 2x9r n ALA 100 Ca -0.02 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.36 2x9r n ALA 100 Cb 0.15 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.49 2x9r n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2x9r n SER 101 N 5.22 0.00 -2.89 0.00 3.41 -1.12 -4.88 113.62 113.36 2x9r n SER 101 Ca 0.40 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 2x9r n SER 101 Cb 0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2x9r n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x9r n GLY 102 N 0.00 -0.10 3.26 5.00 0.00 -1.26 -4.85 105.19 107.24 2x9r n GLY 102 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2x9r n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x9r s LEU 103 N -3.94 -0.16 0.10 0.99 1.98 -1.26 -4.84 118.68 111.54 2x9r s LEU 103 Ca 0.16 0.89 -0.30 0.00 -2.89 0.00 0.00 54.13 51.99 2x9r s LEU 103 Cb -0.10 1.32 -0.06 0.00 0.66 0.00 0.00 46.19 48.01 2x9r s LEU 103 CO 0.38 -0.20 1.06 -1.58 -1.89 0.00 0.00 176.35 174.12 2x9r s GLN 104 N 1.59 4.58 -0.96 1.98 0.74 -0.27 -4.53 119.66 122.80 2x9r s GLN 104 Ca -0.08 1.60 -0.01 0.00 0.05 0.00 0.00 55.36 56.91 2x9r s GLN 104 Cb -0.09 -3.36 0.30 0.00 1.10 0.00 0.00 33.01 30.97 2x9r s GLN 104 CO -0.13 0.02 1.40 1.33 -0.55 0.00 0.00 175.29 177.37 2x9r n VAL 105 N 3.10 4.87 -0.27 1.34 0.24 -1.26 -2.03 118.33 124.32 2x9r n VAL 105 Ca 0.04 -5.81 -0.07 0.00 -2.04 0.00 0.00 64.34 56.46 2x9r n VAL 105 Cb 0.48 -1.90 -0.06 0.00 -1.47 0.00 0.00 33.84 30.88 2x9r n VAL 105 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2x9r n LYS 106 N 0.78 -0.28 -3.70 7.34 5.02 -0.96 -4.64 118.16 121.71 2x9r n LYS 106 Ca 0.32 1.07 -0.14 0.00 -2.02 0.00 0.00 58.31 57.54 2x9r n LYS 106 Cb 0.33 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 2x9r n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2x9r s SER 107 N -5.04 -0.39 -0.29 4.39 1.04 -1.26 -5.06 113.70 107.09 2x9r s SER 107 Ca -0.08 0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2x9r s SER 107 Cb 0.07 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.88 2x9r s SER 107 CO 0.40 -0.34 -0.03 -0.63 0.98 0.00 0.00 173.24 173.62 2x9r s ILE 108 N -0.57 2.64 -0.08 -1.02 1.09 -1.26 -0.63 121.20 121.37 2x9r s ILE 108 Ca -0.07 -1.57 -0.01 0.00 -1.10 0.00 0.00 60.65 57.91 2x9r s ILE 108 Cb -0.03 -2.57 -0.03 0.00 -1.06 0.00 0.00 42.46 38.76 2x9r s ILE 108 CO 0.03 -0.13 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.02 2x9r s VAL 109 N 1.17 4.04 -0.40 2.92 1.01 0.43 -5.00 120.40 124.57 2x9r s VAL 109 Ca -0.05 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2x9r s VAL 109 Cb -0.20 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2x9r s VAL 109 CO -0.03 0.60 0.29 -0.62 0.00 0.00 0.00 175.10 175.34 2x9r s ASP 110 N -0.83 6.06 -0.57 3.32 2.15 -1.26 -1.22 116.67 124.31 2x9r s ASP 110 Ca 0.13 -0.90 0.06 0.00 0.43 0.00 0.00 52.55 52.28 2x9r s ASP 110 Cb -0.11 -2.14 0.28 0.00 -0.30 0.00 0.00 42.92 40.64 2x9r s ASP 110 CO 0.02 -0.43 0.76 -0.67 -0.17 0.00 0.00 175.17 174.67 2x9r n ASP 111 N 5.14 3.19 -4.75 -0.34 4.64 0.11 -4.95 116.55 119.59 2x9r n ASP 111 Ca -0.11 -3.36 -0.38 0.00 -1.38 0.00 0.00 54.79 49.56 2x9r n ASP 111 Cb 0.47 -0.64 -0.06 0.00 -1.04 0.00 0.00 41.12 39.85 2x9r n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2x9r s THR 112 N -2.72 5.08 0.01 5.18 2.01 -1.25 -4.54 115.64 119.42 2x9r s THR 112 Ca 0.41 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 2x9r s THR 112 Cb 0.19 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2x9r s THR 112 CO -0.06 0.39 1.99 -0.81 -0.69 0.00 0.00 174.62 175.44 2x9r n PRO 113 N 3.15 2.78 -3.99 4.92 -0.04 -1.26 -4.98 135.00 135.58 2x9r n PRO 113 Ca -0.08 1.01 -0.32 0.00 -0.04 0.00 0.00 63.50 64.07 2x9r n PRO 113 Cb 0.52 -3.01 -0.14 0.00 -0.04 0.00 0.00 33.50 30.82 2x9r n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2x9r s VAL 114 N 4.72 2.44 0.41 0.52 0.11 -1.26 -5.10 120.40 122.23 2x9r s VAL 114 Ca 0.90 -2.03 -0.25 0.00 -2.93 0.00 0.00 61.98 57.67 2x9r s VAL 114 Cb -0.44 -2.65 -0.08 0.00 -1.53 0.00 0.00 36.38 31.68 2x9r s VAL 114 CO 0.42 -0.41 1.17 -2.16 -3.33 0.00 0.00 175.10 170.79 2x9r s PRO 115 N 1.02 4.00 -0.18 1.54 0.04 -1.26 -4.91 135.00 135.25 2x9r s PRO 115 Ca 0.04 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2x9r s PRO 115 Cb -0.20 -2.63 0.19 0.00 0.04 0.00 0.00 34.50 31.90 2x9r s PRO 115 CO -0.06 -0.36 1.61 0.72 0.04 0.00 0.00 177.00 178.94 2x9r n HIS 116 N -0.02 1.04 -1.97 0.56 8.25 -1.26 -4.80 115.22 117.01 2x9r n HIS 116 Ca 0.05 -1.26 -0.02 0.00 -0.26 0.00 0.00 57.72 56.23 2x9r n HIS 116 Cb 0.47 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2x9r n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2x9r n ASN 117 N 0.27 -4.15 0.06 0.41 5.03 -1.26 -5.07 115.26 110.54 2x9r n ASN 117 Ca 0.20 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.92 2x9r n ASN 117 Cb 0.75 -2.58 0.00 0.00 -1.02 0.00 0.00 39.78 36.92 2x9r n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x9r n GLY 118 N -0.28 -0.07 3.79 7.41 0.00 -1.26 -5.07 105.19 109.71 2x9r n GLY 118 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2x9r n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9r s ARG 120 N -0.25 4.25 0.81 0.00 3.52 -1.26 -5.01 118.95 121.02 2x9r s ARG 120 Ca 0.12 2.24 -0.07 0.00 -0.13 0.00 0.00 55.73 57.88 2x9r s ARG 120 Cb -0.12 -3.00 0.15 0.00 -1.56 0.00 0.00 34.95 30.43 2x9r s ARG 120 CO 0.01 -0.28 1.13 -2.14 -0.81 0.00 0.00 175.30 173.21 2x9r s PRO 121 N -1.91 1.32 1.29 5.12 0.02 -1.26 -5.09 135.00 134.48 2x9r s PRO 121 Ca 0.51 -0.75 -0.20 0.00 0.02 0.00 0.00 61.00 60.58 2x9r s PRO 121 Cb -0.40 -2.12 0.32 0.00 0.02 0.00 0.00 34.50 32.31 2x9r s PRO 121 CO 0.53 -1.81 1.04 0.15 -0.33 0.00 0.00 177.00 176.58 2x9r s LYS 122 N -5.45 -1.87 0.20 5.54 1.02 -1.26 -4.82 119.74 113.10 2x9r s LYS 122 Ca 0.69 0.03 0.09 0.00 0.02 0.00 0.00 55.97 56.80 2x9r s LYS 122 Cb -0.05 -1.51 0.10 0.00 -0.52 0.00 0.00 37.83 35.85 2x9r s LYS 122 CO 0.48 -4.16 1.46 -0.22 -0.92 0.00 0.00 175.35 171.99 2x9r h LYS 123 N -2.90 0.00 -0.34 1.68 3.64 -1.98 -3.00 116.57 113.67 2x9r h LYS 123 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2x9r h LYS 123 Cb 1.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 2x9r h LYS 123 CO 0.32 0.79 0.23 -0.22 -2.27 0.00 0.00 179.45 178.30 2x9r h LYS 124 N 0.00 0.27 -0.44 1.90 3.64 -2.03 -1.44 116.57 118.46 2x9r h LYS 124 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2x9r h LYS 124 Cb 1.40 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2x9r h LYS 124 CO 0.10 0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.65 2x9r n PHE 125 N -4.48 0.58 0.78 1.91 3.01 -1.18 -4.08 117.46 113.99 2x9r n PHE 125 Ca 0.03 -0.29 0.09 0.00 1.01 0.00 0.00 57.45 58.29 2x9r n PHE 125 Cb 0.21 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.68 2x9r n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2x9r n ARG 126 N 1.40 1.57 -0.32 -1.08 1.74 -0.55 -4.52 116.66 114.91 2x9r n ARG 126 Ca 0.20 -0.94 0.29 0.00 -0.77 0.00 0.00 57.85 56.63 2x9r n ARG 126 Cb 0.58 -1.33 0.51 0.00 -1.02 0.00 0.00 32.46 31.20 2x9r n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9r n LYS 127 N 0.04 -0.04 -2.62 5.56 4.76 -1.19 -2.05 118.16 122.61 2x9r n LYS 127 Ca 0.08 1.05 -0.42 0.00 -2.87 0.00 0.00 58.31 56.14 2x9r n LYS 127 Cb 0.38 -1.98 -0.02 0.00 -1.84 0.00 0.00 35.03 31.58 2x9r n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x9r s ALA 128 N -5.06 3.08 -1.24 7.82 0.00 -1.26 -5.19 121.76 119.91 2x9r s ALA 128 Ca -0.07 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 49.27 2x9r s ALA 128 Cb 0.26 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2x9r s ALA 128 CO 0.64 -3.39 0.31 0.45 0.00 0.00 0.00 175.76 173.77