#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1r s THR 2 N 0.00 1.48 0.16 -1.67 -4.23 0.12 0.16 115.64 111.66 1g1r s THR 2 Ca 0.00 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1g1r s THR 2 Cb 0.00 -1.29 -0.07 0.00 1.34 0.00 0.00 72.50 72.48 1g1r s THR 2 CO 0.00 0.43 0.56 -0.31 -0.54 0.00 0.00 174.62 174.76 1g1r s TYR 3 N 0.21 3.59 0.11 3.99 2.02 -1.26 0.20 117.35 126.20 1g1r s TYR 3 Ca -0.08 1.06 -0.12 0.00 -0.37 0.00 0.00 57.07 57.56 1g1r s TYR 3 Cb -0.13 -2.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.07 1g1r s TYR 3 CO 0.04 0.40 0.30 -1.01 -1.57 0.00 0.00 175.55 173.71 1g1r s HIS 4 N -1.51 -0.00 0.01 2.71 3.76 0.11 -4.91 115.29 115.45 1g1r s HIS 4 Ca 0.39 -0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 54.85 1g1r s HIS 4 Cb -0.15 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.64 1g1r s HIS 4 CO 0.19 -0.64 0.16 1.52 -0.85 0.00 0.00 174.74 175.12 1g1r s TYR 5 N -3.84 0.05 0.17 1.40 1.13 -1.26 0.22 117.35 115.21 1g1r s TYR 5 Ca 0.05 -0.17 -0.12 0.00 -1.41 0.00 0.00 57.07 55.42 1g1r s TYR 5 Cb 0.03 -0.05 -0.07 0.00 -1.10 0.00 0.00 41.96 40.78 1g1r s TYR 5 CO -0.11 -0.33 0.52 -1.54 -2.51 0.00 0.00 175.55 171.59 1g1r s SER 6 N -1.58 6.71 0.00 -0.18 1.04 -0.77 -5.00 113.70 113.92 1g1r s SER 6 Ca -0.12 0.96 0.29 0.00 0.48 0.00 0.00 55.95 57.57 1g1r s SER 6 Cb -0.06 -2.24 1.37 0.00 0.10 0.00 0.00 66.02 65.19 1g1r s SER 6 CO 0.00 0.04 1.93 0.35 0.98 0.00 0.00 173.24 176.54 1g1r n THR 7 N 0.44 0.00 -4.72 2.02 -2.24 -1.26 -4.38 114.28 104.15 1g1r n THR 7 Ca -0.03 -0.11 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 1g1r n THR 7 Cb 0.52 0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 1g1r n THR 7 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g1r s LYS 8 N -2.14 1.71 0.26 -0.78 1.02 -1.26 -5.09 119.74 113.45 1g1r s LYS 8 Ca 0.38 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 1g1r s LYS 8 Cb 0.21 -1.45 -0.10 0.00 -0.52 0.00 0.00 37.83 35.96 1g1r s LYS 8 CO 0.39 0.16 1.47 0.00 -0.92 0.00 0.00 175.35 176.45 1g1r s ALA 9 N 0.26 3.65 0.30 5.17 0.00 -1.26 -4.63 121.76 125.26 1g1r s ALA 9 Ca -0.08 1.38 -0.06 0.00 0.00 0.00 0.00 51.96 53.21 1g1r s ALA 9 Cb -0.13 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 1g1r s ALA 9 CO 0.03 -0.79 0.45 0.71 0.00 0.00 0.00 175.76 176.15 1g1r s TYR 10 N -0.04 0.85 0.41 0.00 2.02 0.75 -4.56 117.35 116.78 1g1r s TYR 10 Ca 0.60 -1.13 -0.23 0.00 -0.37 0.00 0.00 57.07 55.94 1g1r s TYR 10 Cb -0.43 -0.03 -0.09 0.00 -0.40 0.00 0.00 41.96 41.01 1g1r s TYR 10 CO 0.45 -1.06 1.04 -1.54 -1.57 0.00 0.00 175.55 172.86 1g1r s SER 11 N -3.16 6.72 0.21 2.29 1.04 -1.25 -0.03 113.70 119.52 1g1r s SER 11 Ca 0.29 1.99 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 1g1r s SER 11 Cb 0.00 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.73 1g1r s SER 11 CO 0.16 -0.52 1.57 -0.25 0.98 0.00 0.00 173.24 175.18 1g1r h TRP 12 N 2.33 -1.03 -0.47 5.02 7.01 -1.51 0.37 115.95 127.67 1g1r h TRP 12 Ca -0.48 0.09 0.09 0.00 2.11 0.00 0.00 58.89 60.70 1g1r h TRP 12 Cb 1.21 0.57 -0.09 0.00 -2.10 0.00 0.00 29.16 28.75 1g1r h TRP 12 CO 0.58 -0.40 -0.14 -0.91 -2.79 0.00 0.00 178.44 174.78 1g1r h ASN 13 N -0.07 -0.51 0.66 2.65 2.35 -1.92 0.18 115.58 118.92 1g1r h ASN 13 Ca 0.29 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 56.16 1g1r h ASN 13 Cb 0.58 0.32 0.01 0.00 0.05 0.00 0.00 38.32 39.27 1g1r h ASN 13 CO -0.85 -0.18 -0.32 0.40 -1.65 0.00 0.00 177.43 174.83 1g1r h ILE 14 N -0.03 0.27 -0.79 2.81 2.04 -1.34 -2.81 117.51 117.66 1g1r h ILE 14 Ca 0.23 -0.18 0.18 0.00 1.00 0.00 0.00 64.86 66.09 1g1r h ILE 14 Cb 0.37 0.33 -0.14 0.00 -0.74 0.00 0.00 36.82 36.65 1g1r h ILE 14 CO -0.50 0.02 0.02 0.28 0.00 0.00 0.00 178.15 177.98 1g1r h SER 15 N -1.03 -0.33 -0.20 1.72 0.02 0.21 0.24 113.55 114.18 1g1r h SER 15 Ca -0.09 0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1g1r h SER 15 Cb 0.72 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1g1r h SER 15 CO 0.15 -0.19 0.00 -0.09 -1.14 0.00 0.00 176.83 175.56 1g1r h ARG 16 N 0.11 0.07 -0.70 3.45 2.43 -0.58 0.45 114.38 119.60 1g1r h ARG 16 Ca 0.44 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.72 1g1r h ARG 16 Cb 0.79 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1g1r h ARG 16 CO -0.69 0.04 0.31 0.87 -1.51 0.00 0.00 179.97 178.99 1g1r h LYS 17 N 0.07 0.49 -0.08 0.20 1.57 -0.45 0.13 116.57 118.49 1g1r h LYS 17 Ca 0.10 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1g1r h LYS 17 Cb 0.12 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1g1r h LYS 17 CO -0.16 0.32 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.05 1g1r h TYR 18 N 0.50 -0.19 0.12 -1.35 5.03 0.27 -0.05 116.97 121.30 1g1r h TYR 18 Ca 0.36 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.68 1g1r h TYR 18 Cb 0.47 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.84 1g1r h TYR 18 CO -0.14 -0.12 -0.06 0.00 -1.32 0.00 0.00 178.16 176.52 1g1r h GLN 20 N -0.17 0.69 0.00 0.00 4.20 -0.27 0.22 115.11 119.78 1g1r h GLN 20 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1g1r h GLN 20 Cb 0.14 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1g1r h GLN 20 CO 0.02 0.46 -0.16 -0.91 -0.67 0.00 0.00 178.83 177.56 1g1r h ASN 21 N 0.71 0.00 0.00 1.46 2.35 -0.96 -3.37 115.58 115.77 1g1r h ASN 21 Ca 0.48 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1g1r h ASN 21 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1g1r h ASN 21 CO -0.24 0.00 -1.18 -2.11 -1.65 0.00 0.00 177.43 172.25 1g1r n ARG 22 N -2.88 0.76 0.00 0.81 1.85 -1.03 -5.06 116.66 111.10 1g1r n ARG 22 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1g1r n ARG 22 Cb 0.52 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 1g1r n ARG 22 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1g1r n TYR 23 N -1.66 0.00 -0.04 2.89 4.01 0.75 -5.11 117.16 118.00 1g1r n TYR 23 Ca -0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.66 1g1r n TYR 23 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 1g1r n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1g1r n THR 24 N 0.00 0.50 -1.17 -0.72 -1.04 -1.06 -4.74 114.28 106.04 1g1r n THR 24 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1g1r n THR 24 Cb 0.00 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1g1r n THR 24 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1g1r n ASP 25 N -2.90 0.00 -4.70 8.00 -0.08 -1.19 -4.54 116.55 111.14 1g1r n ASP 25 Ca -0.16 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.70 1g1r n ASP 25 Cb 0.66 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.09 1g1r n ASP 25 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1g1r s LEU 26 N 0.00 4.35 0.34 -2.67 1.43 -1.26 -1.75 118.68 119.11 1g1r s LEU 26 Ca 0.00 2.26 -0.14 0.00 -1.03 0.00 0.00 54.13 55.23 1g1r s LEU 26 Cb 0.00 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 1g1r s LEU 26 CO 0.00 -0.71 -0.04 1.33 0.23 0.00 0.00 176.35 177.16 1g1r n VAL 27 N 4.33 0.13 -4.26 -1.59 0.24 0.14 -3.98 118.33 113.34 1g1r n VAL 27 Ca 0.13 -0.36 -0.20 0.00 -2.04 0.00 0.00 64.34 61.87 1g1r n VAL 27 Cb 0.43 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.64 1g1r n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g1r s ALA 28 N -1.36 0.72 -0.02 2.33 0.00 -1.26 -1.47 121.76 120.70 1g1r s ALA 28 Ca 0.41 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1g1r s ALA 28 Cb -0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1g1r s ALA 28 CO 0.47 0.07 0.32 0.42 0.00 0.00 0.00 175.76 177.04 1g1r s ILE 29 N 0.46 5.20 -0.07 0.00 1.01 -1.26 -5.00 121.20 121.54 1g1r s ILE 29 Ca -0.06 0.51 0.13 0.00 0.00 0.00 0.00 60.65 61.23 1g1r s ILE 29 Cb -0.10 -3.60 -0.20 0.00 0.01 0.00 0.00 42.46 38.57 1g1r s ILE 29 CO 0.00 0.51 0.19 0.00 0.00 0.00 0.00 174.94 175.64 1g1r n GLN 30 N 1.60 1.11 -3.78 2.79 6.02 -1.26 -4.76 117.38 119.10 1g1r n GLN 30 Ca -0.14 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 56.75 1g1r n GLN 30 Cb 0.53 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.44 1g1r n GLN 30 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1g1r s ASN 31 N -4.14 -0.13 0.22 1.08 2.20 -1.26 -4.12 114.94 108.80 1g1r s ASN 31 Ca -0.06 -0.47 -0.08 0.00 -0.94 0.00 0.00 52.86 51.31 1g1r s ASN 31 Cb 0.07 0.48 0.27 0.00 -2.00 0.00 0.00 41.25 40.07 1g1r s ASN 31 CO 0.58 -0.91 1.83 0.11 -2.94 0.00 0.00 177.10 175.77 1g1r h LYS 32 N 2.00 0.82 -0.92 3.55 1.79 -1.88 -3.02 116.57 118.91 1g1r h LYS 32 Ca -0.25 -0.05 0.16 0.00 -2.18 0.00 0.00 60.65 58.33 1g1r h LYS 32 Cb 1.23 -0.19 -0.16 0.00 -1.58 0.00 0.00 32.23 31.53 1g1r h LYS 32 CO 0.28 0.54 -0.33 -0.91 -1.08 0.00 0.00 179.45 177.96 1g1r h ASN 33 N 0.85 -1.20 -0.92 0.86 2.35 -1.96 1.51 115.58 117.06 1g1r h ASN 33 Ca 0.33 0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 56.36 1g1r h ASN 33 Cb 0.15 0.67 -0.04 0.00 0.05 0.00 0.00 38.32 39.14 1g1r h ASN 33 CO -0.16 -0.30 0.56 -0.33 -1.65 0.00 0.00 177.43 175.54 1g1r h GLU 34 N -0.02 1.25 -0.18 0.81 5.08 -1.95 0.56 114.58 120.12 1g1r h GLU 34 Ca 0.37 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1g1r h GLU 34 Cb 0.62 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1g1r h GLU 34 CO -0.94 0.87 0.08 0.82 -1.00 0.00 0.00 179.01 178.84 1g1r h ILE 35 N 1.27 0.98 0.08 3.13 2.04 0.19 0.60 117.51 125.80 1g1r h ILE 35 Ca 0.33 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.15 1g1r h ILE 35 Cb -0.05 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1g1r h ILE 35 CO -0.06 0.03 -0.25 -0.78 0.00 0.00 0.00 178.15 177.09 1g1r h ASP 36 N 0.17 -0.73 0.57 1.72 1.82 0.14 0.18 116.42 120.30 1g1r h ASP 36 Ca 0.07 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1g1r h ASP 36 Cb 0.03 0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1g1r h ASP 36 CO -0.06 -0.34 -0.51 0.22 -1.61 0.00 0.00 179.24 176.94 1g1r h TYR 37 N -0.44 -1.40 -0.59 0.28 3.20 0.45 -0.46 116.97 118.01 1g1r h TYR 37 Ca 0.04 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1g1r h TYR 37 Cb 0.48 0.54 -0.11 0.00 1.54 0.00 0.00 36.73 39.18 1g1r h TYR 37 CO -0.25 -0.69 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.09 1g1r h LEU 38 N -1.06 -1.43 -2.14 2.82 3.38 0.37 0.79 115.31 118.04 1g1r h LEU 38 Ca -0.07 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1g1r h LEU 38 Cb 0.91 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1g1r h LEU 38 CO -0.03 -0.33 0.22 -1.13 0.09 0.00 0.00 178.44 177.26 1g1r h ASN 39 N -0.21 0.00 0.51 -0.43 -1.24 -0.31 -2.58 115.58 111.32 1g1r h ASN 39 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1g1r h ASN 39 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1g1r h ASN 39 CO -0.69 0.00 -1.13 2.29 -1.29 0.00 0.00 177.43 176.61 1g1r n LYS 40 N -4.04 0.40 -0.13 6.67 2.85 0.26 -4.21 118.16 119.96 1g1r n LYS 40 Ca 0.03 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.04 1g1r n LYS 40 Cb 0.36 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 33.00 1g1r n LYS 40 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1g1r n VAL 41 N -2.15 1.52 -1.93 0.58 0.24 -0.22 -4.95 118.33 111.42 1g1r n VAL 41 Ca 0.01 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 1g1r n VAL 41 Cb 0.48 -1.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.14 1g1r n VAL 41 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1g1r s LEU 42 N -7.12 4.36 1.03 1.34 1.43 -1.00 -4.99 118.68 113.74 1g1r s LEU 42 Ca -0.37 2.89 -0.16 0.00 -1.03 0.00 0.00 54.13 55.46 1g1r s LEU 42 Cb 0.12 -3.66 0.21 0.00 0.03 0.00 0.00 46.19 42.90 1g1r s LEU 42 CO 0.54 -0.74 1.19 -2.16 0.23 0.00 0.00 176.35 175.41 1g1r s PRO 43 N -1.79 0.14 -0.02 1.29 0.04 -1.26 -4.88 135.00 128.52 1g1r s PRO 43 Ca 0.52 -0.09 -0.23 0.00 0.04 0.00 0.00 61.00 61.25 1g1r s PRO 43 Cb -0.44 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1g1r s PRO 43 CO 0.57 -2.80 0.68 -0.47 0.04 0.00 0.00 177.00 175.02 1g1r s TYR 44 N -3.40 3.65 -0.07 0.56 5.04 -1.26 -4.90 117.35 116.97 1g1r s TYR 44 Ca 0.70 1.28 -0.02 0.00 -2.44 0.00 0.00 57.07 56.59 1g1r s TYR 44 Cb -0.09 -2.74 0.03 0.00 0.35 0.00 0.00 41.96 39.51 1g1r s TYR 44 CO 0.54 0.22 0.04 0.71 -1.34 0.00 0.00 175.55 175.72 1g1r s TYR 45 N 0.26 0.32 0.60 4.97 2.02 -1.26 -5.02 117.35 119.24 1g1r s TYR 45 Ca 0.35 0.02 0.21 0.00 -0.37 0.00 0.00 57.07 57.28 1g1r s TYR 45 Cb -0.19 -0.63 1.13 0.00 -0.40 0.00 0.00 41.96 41.88 1g1r s TYR 45 CO 0.19 -0.28 1.62 0.66 -1.57 0.00 0.00 175.55 176.17 1g1r h SER 46 N 8.39 0.00 -0.01 2.29 4.64 -1.97 0.56 113.55 127.45 1g1r h SER 46 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1g1r h SER 46 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1g1r h SER 46 CO 0.21 0.00 -0.53 -1.54 -0.87 0.00 0.00 176.83 174.10 1g1r n SER 47 N -2.70 1.44 -1.08 4.97 3.41 -1.26 -5.10 113.62 113.31 1g1r n SER 47 Ca -0.01 -1.22 0.07 0.00 -0.26 0.00 0.00 58.87 57.45 1g1r n SER 47 Cb 0.53 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 65.11 1g1r n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1g1r n TYR 48 N -0.54 -2.54 -4.25 7.33 4.01 0.19 -4.73 117.16 116.63 1g1r n TYR 48 Ca 0.06 0.65 -0.26 0.00 -0.16 0.00 0.00 57.90 58.19 1g1r n TYR 48 Cb 0.34 -1.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.25 1g1r n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1g1r s TYR 49 N -0.83 2.75 -0.44 -0.72 1.51 -1.25 -1.97 117.35 116.40 1g1r s TYR 49 Ca 0.00 -0.18 -0.23 0.00 -1.01 0.00 0.00 57.07 55.65 1g1r s TYR 49 Cb 0.00 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1g1r s TYR 49 CO 0.00 0.53 0.76 -1.58 -1.11 0.00 0.00 175.55 174.15 1g1r s TRP 50 N -1.82 3.02 0.16 2.71 0.23 0.22 -1.15 118.94 122.32 1g1r s TRP 50 Ca 0.27 0.17 -0.16 0.00 -2.03 0.00 0.00 56.10 54.35 1g1r s TRP 50 Cb -0.09 -3.57 -0.07 0.00 0.03 0.00 0.00 33.47 29.77 1g1r s TRP 50 CO 0.18 -0.93 0.59 0.96 0.96 0.00 0.00 176.95 178.70 1g1r s ILE 51 N 3.18 4.79 -1.33 2.03 -4.36 -0.48 -3.20 121.20 121.83 1g1r s ILE 51 Ca 0.29 0.94 -0.15 0.00 -0.26 0.00 0.00 60.65 61.46 1g1r s ILE 51 Cb -0.13 -3.77 0.09 0.00 1.25 0.00 0.00 42.46 39.91 1g1r s ILE 51 CO 0.21 0.25 1.84 0.61 0.24 0.00 0.00 174.94 178.09 1g1r n GLY 52 N 0.83 3.45 2.77 6.27 0.00 -0.54 -4.41 105.19 113.55 1g1r n GLY 52 Ca -0.05 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 1g1r n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1g1r s ILE 53 N 3.09 -0.01 0.47 -0.61 2.07 -1.26 -2.11 121.20 122.83 1g1r s ILE 53 Ca 0.49 0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.97 1g1r s ILE 53 Cb 0.06 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.50 1g1r s ILE 53 CO 0.01 0.11 0.05 -0.13 -1.91 0.00 0.00 174.94 173.07 1g1r s ARG 54 N 1.21 2.08 -0.18 3.50 1.81 0.44 -4.20 118.95 123.61 1g1r s ARG 54 Ca -0.07 -2.30 0.01 0.00 -1.72 0.00 0.00 55.73 51.65 1g1r s ARG 54 Cb -0.13 -1.22 0.03 0.00 -0.45 0.00 0.00 34.95 33.18 1g1r s ARG 54 CO -0.03 -0.37 -0.14 0.21 -0.68 0.00 0.00 175.30 174.29 1g1r s LYS 55 N -3.81 2.41 -0.80 3.54 2.20 -1.26 -0.54 119.74 121.47 1g1r s LYS 55 Ca 0.14 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1g1r s LYS 55 Cb 0.03 -2.38 0.31 0.00 -1.51 0.00 0.00 37.83 34.27 1g1r s LYS 55 CO 0.08 -0.31 1.22 0.27 -0.36 0.00 0.00 175.35 176.25 1g1r n ASN 56 N 4.68 5.40 -1.56 1.43 2.04 -1.24 -4.94 115.26 121.06 1g1r n ASN 56 Ca -0.17 -3.58 0.00 0.00 -0.44 0.00 0.00 54.58 50.39 1g1r n ASN 56 Cb 0.48 -0.87 0.00 0.00 -2.53 0.00 0.00 39.78 36.86 1g1r n ASN 56 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1g1r n ASN 57 N 0.36 -6.03 0.00 0.53 0.23 -1.26 -4.50 115.26 104.59 1g1r n ASN 57 Ca 0.34 0.90 0.00 0.00 -0.53 0.00 0.00 54.58 55.28 1g1r n ASN 57 Cb 0.35 -3.29 0.00 0.00 -2.08 0.00 0.00 39.78 34.76 1g1r n ASN 57 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1g1r n LYS 58 N 1.04 0.00 -3.77 -3.83 4.01 -1.26 -4.72 118.16 109.63 1g1r n LYS 58 Ca 0.00 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.43 1g1r n LYS 58 Cb 0.00 -0.25 -0.13 0.00 -0.51 0.00 0.00 35.03 34.14 1g1r n LYS 58 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1g1r s THR 59 N 0.00 3.94 1.17 -0.18 2.01 -1.26 -5.10 115.64 116.22 1g1r s THR 59 Ca 0.00 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 1g1r s THR 59 Cb 0.00 -3.01 0.27 0.00 0.01 0.00 0.00 72.50 69.77 1g1r s THR 59 CO 0.00 0.11 1.04 0.26 -0.69 0.00 0.00 174.62 175.34 1g1r s TRP 60 N 1.50 1.18 -0.28 4.92 0.52 -1.26 -3.71 118.94 121.82 1g1r s TRP 60 Ca 0.03 0.93 -0.24 0.00 0.02 0.00 0.00 56.10 56.84 1g1r s TRP 60 Cb -0.17 -3.16 0.09 0.00 -1.15 0.00 0.00 33.47 29.08 1g1r s TRP 60 CO 0.02 -3.79 0.84 0.99 0.02 0.00 0.00 176.95 175.03 1g1r s THR 61 N -2.65 0.00 -0.54 2.01 2.01 0.30 -3.54 115.64 113.22 1g1r s THR 61 Ca 0.68 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.40 1g1r s THR 61 Cb -0.20 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1g1r s THR 61 CO 0.61 0.00 1.15 0.26 -0.69 0.00 0.00 174.62 175.95 1g1r s TRP 62 N 0.50 2.69 0.62 4.92 0.52 0.24 -0.42 118.94 128.01 1g1r s TRP 62 Ca -0.00 0.49 0.26 0.00 0.02 0.00 0.00 56.10 56.86 1g1r s TRP 62 Cb -0.05 -4.45 1.22 0.00 -1.15 0.00 0.00 33.47 29.04 1g1r s TRP 62 CO -0.04 -1.46 1.66 -0.39 0.02 0.00 0.00 176.95 176.74 1g1r h VAL 63 N 6.17 0.16 0.17 4.03 -1.51 -1.74 0.19 116.25 123.73 1g1r h VAL 63 Ca -0.24 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 64.88 1g1r h VAL 63 Cb 1.06 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1g1r h VAL 63 CO 1.16 0.00 -1.77 1.23 -1.23 0.00 0.00 177.57 176.96 1g1r h GLY 64 N 0.00 0.41 -1.04 5.19 0.00 -1.78 -3.39 103.07 102.46 1g1r h GLY 64 Ca 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1g1r h GLY 64 CO -0.00 0.91 0.00 -1.30 0.00 0.00 0.00 176.54 176.15 1g1r n THR 65 N -3.55 0.32 -3.45 4.70 -2.24 -1.01 -5.02 114.28 104.03 1g1r n THR 65 Ca -0.25 -0.66 -0.18 0.00 -2.27 0.00 0.00 64.05 60.69 1g1r n THR 65 Cb 1.07 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 70.33 1g1r n THR 65 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1g1r n LYS 66 N 0.61 -1.45 -4.29 -0.78 5.02 0.65 -5.00 118.16 112.92 1g1r n LYS 66 Ca 0.08 0.88 -0.21 0.00 -2.02 0.00 0.00 58.31 57.05 1g1r n LYS 66 Cb 0.33 -4.52 -0.11 0.00 -0.02 0.00 0.00 35.03 30.71 1g1r n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1g1r s LYS 67 N -4.67 1.16 0.28 1.97 1.02 -1.19 -4.89 119.74 113.42 1g1r s LYS 67 Ca 0.24 -1.30 -0.03 0.00 0.02 0.00 0.00 55.97 54.90 1g1r s LYS 67 Cb -0.07 -1.19 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 1g1r s LYS 67 CO 0.82 0.25 0.52 0.00 -0.92 0.00 0.00 175.35 176.02 1g1r s ALA 68 N -1.90 3.68 0.21 5.17 0.00 -1.26 0.80 121.76 128.45 1g1r s ALA 68 Ca 0.11 -0.68 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1g1r s ALA 68 Cb -0.06 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.75 1g1r s ALA 68 CO 0.05 0.22 1.54 -1.17 0.00 0.00 0.00 175.76 176.41 1g1r s LEU 69 N -3.66 4.37 0.37 0.00 2.96 -1.23 -4.85 118.68 116.63 1g1r s LEU 69 Ca 0.42 2.70 0.07 0.00 -0.22 0.00 0.00 54.13 57.10 1g1r s LEU 69 Cb -0.11 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1g1r s LEU 69 CO 0.31 -0.81 0.35 0.42 -1.32 0.00 0.00 176.35 175.30 1g1r s THR 70 N 0.62 3.25 -0.14 3.68 -4.23 -1.26 -4.99 115.64 112.57 1g1r s THR 70 Ca 0.66 -1.31 0.30 0.00 -1.18 0.00 0.00 61.69 60.15 1g1r s THR 70 Cb -0.44 -3.13 0.36 0.00 1.34 0.00 0.00 72.50 70.63 1g1r s THR 70 CO 0.37 -0.11 1.86 0.78 -0.54 0.00 0.00 174.62 176.99 1g1r h ASN 71 N 1.11 0.00 -0.39 3.99 2.35 -1.94 -2.33 115.58 118.38 1g1r h ASN 71 Ca -0.43 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.27 1g1r h ASN 71 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1g1r h ASN 71 CO 0.57 0.00 0.05 -0.33 -1.65 0.00 0.00 177.43 176.06 1g1r h GLU 72 N 0.00 0.66 0.10 0.81 3.07 -1.95 -3.30 114.58 113.97 1g1r h GLU 72 Ca 0.00 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1g1r h GLU 72 Cb 0.60 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1g1r h GLU 72 CO 0.00 0.73 -0.05 0.00 -1.40 0.00 0.00 179.01 178.29 1g1r h ALA 73 N 0.91 -0.14 -0.89 3.43 0.00 -1.66 -3.25 119.26 117.66 1g1r h ALA 73 Ca 0.12 -0.26 -0.82 0.00 0.00 0.00 0.00 54.91 53.95 1g1r h ALA 73 Cb 0.40 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1g1r h ALA 73 CO 0.01 -0.22 0.68 -1.91 0.00 0.00 0.00 179.25 177.82 1g1r n GLU 74 N -4.85 0.00 -3.03 0.00 0.00 -0.90 -4.85 120.64 107.01 1g1r n GLU 74 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 56.93 1g1r n GLU 74 Cb 0.28 -1.41 0.01 0.00 0.00 0.00 0.00 31.44 30.32 1g1r n GLU 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1g1r n ASN 75 N 3.95 -0.30 -4.76 4.31 5.15 -1.26 -4.99 115.26 117.36 1g1r n ASN 75 Ca 0.30 -3.22 -0.40 0.00 -0.60 0.00 0.00 54.58 50.67 1g1r n ASN 75 Cb -0.06 0.25 -0.06 0.00 -0.53 0.00 0.00 39.78 39.38 1g1r n ASN 75 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1g1r s TRP 76 N -1.43 3.96 0.55 1.20 0.52 -1.26 -0.97 118.94 121.50 1g1r s TRP 76 Ca 0.34 1.80 -0.15 0.00 0.02 0.00 0.00 56.10 58.11 1g1r s TRP 76 Cb 0.32 -2.89 -0.07 0.00 -1.15 0.00 0.00 33.47 29.68 1g1r s TRP 76 CO -0.08 0.48 1.00 0.00 0.02 0.00 0.00 176.95 178.38 1g1r s ALA 77 N -1.16 3.08 0.18 0.98 0.00 -1.08 -4.70 121.76 119.04 1g1r s ALA 77 Ca 0.39 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1g1r s ALA 77 Cb -0.25 -3.11 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 1g1r s ALA 77 CO 0.30 -0.37 0.69 -0.25 0.00 0.00 0.00 175.76 176.12 1g1r n ASP 78 N -1.93 -0.65 -1.96 0.00 8.00 -1.26 -2.35 116.55 116.40 1g1r n ASP 78 Ca 0.06 1.14 -0.13 0.00 0.71 0.00 0.00 54.79 56.58 1g1r n ASP 78 Cb 0.54 -1.00 0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1g1r n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g1r n ASN 79 N 1.85 -4.24 -3.70 -2.24 5.03 -1.26 -5.03 115.26 105.66 1g1r n ASN 79 Ca 0.17 -0.21 -0.13 0.00 0.87 0.00 0.00 54.58 55.28 1g1r n ASN 79 Cb 0.23 -3.01 -0.07 0.00 -1.02 0.00 0.00 39.78 35.92 1g1r n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1g1r s GLU 80 N -5.39 0.85 0.10 3.52 0.41 -0.99 -4.51 118.70 112.68 1g1r s GLU 80 Ca 0.23 -0.36 -0.02 0.00 -0.41 0.00 0.00 54.97 54.42 1g1r s GLU 80 Cb -0.10 0.38 0.03 0.00 -1.78 0.00 0.00 34.13 32.65 1g1r s GLU 80 CO 0.28 -0.28 0.07 -0.35 -0.49 0.00 0.00 175.26 174.50 1g1r n PRO 81 N 0.66 -1.69 0.00 0.39 -0.04 -1.26 -4.74 135.00 128.32 1g1r n PRO 81 Ca -0.19 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1g1r n PRO 81 Cb 0.59 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1g1r n PRO 81 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1g1r n ASN 82 N -3.17 0.00 -4.86 3.54 6.94 -1.26 -5.04 115.26 111.40 1g1r n ASN 82 Ca 0.01 -0.68 -0.35 0.00 -0.02 0.00 0.00 54.58 53.54 1g1r n ASN 82 Cb 0.04 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1g1r n ASN 82 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1g1r s ASN 83 N 0.00 6.21 -0.21 0.53 0.01 -1.26 -5.02 114.94 115.19 1g1r s ASN 83 Ca 0.00 0.37 -0.15 0.00 -0.71 0.00 0.00 52.86 52.37 1g1r s ASN 83 Cb 0.00 -1.95 -0.08 0.00 0.41 0.00 0.00 41.25 39.62 1g1r s ASN 83 CO 0.00 0.35 -0.34 2.29 -1.51 0.00 0.00 177.10 177.89 1g1r n LYS 84 N 1.59 0.53 -1.20 -0.60 2.85 -1.26 -4.95 118.16 115.11 1g1r n LYS 84 Ca -0.16 0.22 -0.36 0.00 -1.05 0.00 0.00 58.31 56.96 1g1r n LYS 84 Cb 0.54 -1.41 0.06 0.00 -0.65 0.00 0.00 35.03 33.57 1g1r n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1g1r n ARG 85 N -4.30 0.18 -0.99 -1.58 1.74 -1.26 -4.91 116.66 105.54 1g1r n ARG 85 Ca -0.32 0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.56 1g1r n ARG 85 Cb 0.68 -1.60 0.21 0.00 -1.02 0.00 0.00 32.46 30.73 1g1r n ARG 85 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1g1r s ASN 86 N -1.38 1.69 0.00 0.55 2.20 -1.26 -3.10 114.94 113.65 1g1r s ASN 86 Ca 0.61 1.09 0.00 0.00 -0.94 0.00 0.00 52.86 53.62 1g1r s ASN 86 Cb -0.34 -1.68 0.00 0.00 -2.00 0.00 0.00 41.25 37.22 1g1r s ASN 86 CO 0.63 -3.70 0.00 -3.20 -2.94 0.00 0.00 177.10 167.89 1g1r n ASN 87 N -4.54 -2.34 -1.41 3.54 5.15 -1.26 -4.59 115.26 109.82 1g1r n ASN 87 Ca 0.06 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.97 1g1r n ASN 87 Cb 0.57 -2.01 0.20 0.00 -0.53 0.00 0.00 39.78 38.02 1g1r n ASN 87 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1g1r n GLU 88 N 0.12 2.09 -1.16 1.20 1.02 -1.18 -0.52 120.64 122.21 1g1r n GLU 88 Ca 0.00 -3.12 -0.12 0.00 -0.02 0.00 0.00 57.16 53.90 1g1r n GLU 88 Cb 0.19 -1.92 0.14 0.00 -0.02 0.00 0.00 31.44 29.84 1g1r n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1g1r n ASP 89 N -1.04 3.57 -4.76 1.62 5.75 -1.25 -4.45 116.55 115.98 1g1r n ASP 89 Ca 0.38 -3.80 -0.32 0.00 -0.01 0.00 0.00 54.79 51.05 1g1r n ASP 89 Cb 1.18 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 40.61 1g1r n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g1r s VAL 91 N -1.24 2.86 0.24 0.00 1.01 -1.26 -1.87 120.40 120.14 1g1r s VAL 91 Ca 0.24 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1g1r s VAL 91 Cb -0.12 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1g1r s VAL 91 CO 0.16 0.57 0.21 -1.83 0.00 0.00 0.00 175.10 174.20 1g1r s GLU 92 N -0.30 2.97 -0.15 2.72 -1.05 0.65 -1.39 118.70 122.16 1g1r s GLU 92 Ca 0.02 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 53.84 1g1r s GLU 92 Cb -0.13 -2.60 0.02 0.00 -0.44 0.00 0.00 34.13 30.98 1g1r s GLU 92 CO 0.03 0.41 -0.15 -1.50 0.95 0.00 0.00 175.26 174.99 1g1r s ILE 93 N -2.08 1.65 -0.47 1.83 2.07 -0.30 -1.70 121.20 122.20 1g1r s ILE 93 Ca 0.33 -0.69 -0.26 0.00 -1.41 0.00 0.00 60.65 58.61 1g1r s ILE 93 Cb -0.08 -1.53 -0.26 0.00 0.13 0.00 0.00 42.46 40.72 1g1r s ILE 93 CO 0.25 0.47 1.79 -1.22 -1.91 0.00 0.00 174.94 174.32 1g1r n TYR 94 N 4.64 1.03 -2.29 3.50 4.02 0.18 -3.83 117.16 124.41 1g1r n TYR 94 Ca -0.18 -1.09 -0.41 0.00 -0.01 0.00 0.00 57.90 56.20 1g1r n TYR 94 Cb 0.50 -1.39 -0.03 0.00 -0.02 0.00 0.00 39.34 38.40 1g1r n TYR 94 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1g1r s ILE 95 N 7.08 3.39 -1.17 -0.72 -1.09 -1.26 0.61 121.20 128.04 1g1r s ILE 95 Ca 0.65 1.15 -0.09 0.00 -2.23 0.00 0.00 60.65 60.12 1g1r s ILE 95 Cb 0.12 -3.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.35 1g1r s ILE 95 CO 0.23 0.17 0.40 0.29 -1.23 0.00 0.00 174.94 174.81 1g1r n LYS 96 N 2.60 -2.90 -2.93 2.79 5.02 -1.26 -4.70 118.16 116.78 1g1r n LYS 96 Ca 0.05 0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 56.31 1g1r n LYS 96 Cb 0.44 -5.02 -0.04 0.00 -0.02 0.00 0.00 35.03 30.38 1g1r n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g1r s SER 97 N -2.64 7.05 0.17 4.39 0.15 -1.20 -4.97 113.70 116.64 1g1r s SER 97 Ca 0.38 1.28 0.15 0.00 0.70 0.00 0.00 55.95 58.45 1g1r s SER 97 Cb -0.20 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.37 1g1r s SER 97 CO 0.46 -0.24 1.47 -0.81 1.20 0.00 0.00 173.24 175.32 1g1r n PRO 98 N 4.28 0.09 -0.06 5.44 -0.04 -1.26 -2.80 135.00 140.65 1g1r n PRO 98 Ca 0.02 0.48 -0.06 0.00 -0.04 0.00 0.00 63.50 63.90 1g1r n PRO 98 Cb 0.50 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1g1r n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1g1r n SER 99 N -1.92 1.29 -3.56 3.54 3.41 -1.26 -4.91 113.62 110.20 1g1r n SER 99 Ca 0.01 0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.54 1g1r n SER 99 Cb 0.10 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.27 1g1r n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1r s ALA 100 N -2.93 1.49 0.59 7.33 0.00 -1.25 -5.12 121.76 121.87 1g1r s ALA 100 Ca -0.19 -2.23 -0.17 0.00 0.00 0.00 0.00 51.96 49.37 1g1r s ALA 100 Cb 0.03 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1g1r s ALA 100 CO 0.28 -2.08 1.12 -1.25 0.00 0.00 0.00 175.76 173.83 1g1r s PRO 101 N 0.67 3.12 0.00 0.00 0.04 -1.12 -3.50 135.00 134.21 1g1r s PRO 101 Ca 0.19 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1g1r s PRO 101 Cb -0.21 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1g1r s PRO 101 CO -0.01 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1g1r n GLY 102 N -0.16 0.94 3.18 0.56 0.00 0.20 -4.95 105.19 104.95 1g1r n GLY 102 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1g1r n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g1r n LYS 103 N 0.00 -0.06 -4.36 1.61 4.76 -1.23 -4.11 118.16 114.77 1g1r n LYS 103 Ca 0.00 -0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1g1r n LYS 103 Cb 0.00 -1.31 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 1g1r n LYS 103 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1g1r s TRP 104 N -2.11 2.53 0.05 2.13 0.51 -0.14 0.52 118.94 122.44 1g1r s TRP 104 Ca 0.48 -0.33 -0.16 0.00 -2.12 0.00 0.00 56.10 53.97 1g1r s TRP 104 Cb -0.23 -1.25 0.03 0.00 -0.81 0.00 0.00 33.47 31.21 1g1r s TRP 104 CO 0.75 0.59 0.37 1.21 -0.51 0.00 0.00 176.95 179.36 1g1r s ASN 105 N -3.65 -0.22 -0.22 2.95 2.47 -0.69 -2.65 114.94 112.93 1g1r s ASN 105 Ca 0.32 -0.10 -0.08 0.00 0.42 0.00 0.00 52.86 53.41 1g1r s ASN 105 Cb -0.04 0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 40.13 1g1r s ASN 105 CO 0.18 -0.67 0.10 1.51 -3.72 0.00 0.00 177.10 174.51 1g1r s ASP 106 N -2.11 5.65 0.00 -4.21 1.47 -1.26 -0.25 116.67 115.95 1g1r s ASP 106 Ca -0.04 0.00 0.00 0.00 1.18 0.00 0.00 52.55 53.69 1g1r s ASP 106 Cb -0.00 -2.00 0.00 0.00 -0.34 0.00 0.00 42.92 40.58 1g1r s ASP 106 CO -0.04 0.07 0.00 1.21 0.68 0.00 0.00 175.17 177.10 1g1r n GLU 107 N 4.21 1.81 -3.32 2.11 4.07 -0.78 -4.82 120.64 123.92 1g1r n GLU 107 Ca -0.16 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.55 1g1r n GLU 107 Cb 0.52 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.82 1g1r n GLU 107 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1g1r s HIS 108 N -0.64 3.31 0.07 4.31 5.04 -1.26 -3.65 115.29 122.46 1g1r s HIS 108 Ca 0.00 0.60 0.08 0.00 -1.54 0.00 0.00 55.06 54.20 1g1r s HIS 108 Cb 0.00 -2.62 0.45 0.00 0.04 0.00 0.00 32.58 30.45 1g1r s HIS 108 CO 0.00 -0.16 1.09 0.00 -2.34 0.00 0.00 174.74 173.33 1g1r n LEU 110 N -1.89 0.52 -4.77 0.00 4.77 -1.26 -1.71 117.00 112.67 1g1r n LEU 110 Ca -0.01 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.80 1g1r n LEU 110 Cb 0.44 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1g1r n LEU 110 CO 0.04 0.01 0.85 -0.54 -1.33 0.00 0.00 177.39 176.42 1g1r s LYS 111 N -3.07 4.13 -0.38 3.23 -0.14 0.10 -4.58 119.74 119.04 1g1r s LYS 111 Ca 0.10 1.87 -0.29 0.00 -1.36 0.00 0.00 55.97 56.29 1g1r s LYS 111 Cb 0.16 -2.76 0.02 0.00 -1.68 0.00 0.00 37.83 33.57 1g1r s LYS 111 CO 0.67 -0.26 1.12 0.15 -0.76 0.00 0.00 175.35 176.27 1g1r s LYS 112 N -2.18 3.92 0.05 1.68 1.02 -1.26 -3.89 119.74 119.09 1g1r s LYS 112 Ca 0.55 0.89 0.01 0.00 0.02 0.00 0.00 55.97 57.44 1g1r s LYS 112 Cb -0.32 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 1g1r s LYS 112 CO 0.40 -1.11 -0.06 0.15 -0.92 0.00 0.00 175.35 173.81 1g1r s LYS 113 N 4.01 0.59 0.34 1.68 1.02 0.96 -4.51 119.74 123.83 1g1r s LYS 113 Ca 0.47 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 55.25 1g1r s LYS 113 Cb -0.10 -0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 36.97 1g1r s LYS 113 CO 0.22 -0.00 1.05 -1.01 -0.92 0.00 0.00 175.35 174.69 1g1r s HIS 114 N -2.30 3.44 -0.31 3.18 3.76 -0.83 -0.17 115.29 122.05 1g1r s HIS 114 Ca -0.03 1.69 -0.25 0.00 -0.15 0.00 0.00 55.06 56.31 1g1r s HIS 114 Cb -0.04 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.50 1g1r s HIS 114 CO -0.02 -0.49 0.88 0.00 -0.85 0.00 0.00 174.74 174.26 1g1r s ALA 115 N -1.45 3.51 -0.43 -1.40 0.00 -1.26 0.71 121.76 121.45 1g1r s ALA 115 Ca 0.52 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 1g1r s ALA 115 Cb -0.26 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1g1r s ALA 115 CO 0.32 -1.32 0.51 -1.17 0.00 0.00 0.00 175.76 174.10 1g1r s LEU 116 N 3.20 4.73 0.44 0.00 2.96 -1.19 -1.85 118.68 126.97 1g1r s LEU 116 Ca 0.37 -0.55 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1g1r s LEU 116 Cb -0.13 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 1g1r s LEU 116 CO 0.14 -0.65 0.30 0.00 -1.32 0.00 0.00 176.35 174.82 1g1r s TYR 118 N -2.58 0.12 -0.19 0.00 1.13 -0.72 0.07 117.35 115.17 1g1r s TYR 118 Ca 0.42 -0.47 -0.00 0.00 -1.41 0.00 0.00 57.07 55.60 1g1r s TYR 118 Cb -0.00 -0.05 0.05 0.00 -1.10 0.00 0.00 41.96 40.85 1g1r s TYR 118 CO 0.24 -0.50 -0.05 0.99 -2.51 0.00 0.00 175.55 173.73 1g1r s THR 119 N -3.36 1.21 0.33 -3.49 2.01 0.53 -2.58 115.64 110.28 1g1r s THR 119 Ca 0.01 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 1g1r s THR 119 Cb 0.03 -1.45 -0.12 0.00 0.01 0.00 0.00 72.50 70.97 1g1r s THR 119 CO -0.08 0.02 1.42 0.00 -0.69 0.00 0.00 174.62 175.29 1g1r n ALA 120 N 4.82 1.81 0.10 7.40 0.00 -1.26 0.15 120.51 133.52 1g1r n ALA 120 Ca -0.12 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.80 1g1r n ALA 120 Cb 0.46 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 1g1r n ALA 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g1r n SER 121 N 1.18 0.81 -4.69 0.00 7.64 -1.26 -4.80 113.62 112.50 1g1r n SER 121 Ca 0.06 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.83 1g1r n SER 121 Cb 0.36 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 64.05 1g1r n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1r n GLN 123 N 5.53 0.79 0.15 0.00 1.13 -1.26 -5.06 117.38 118.66 1g1r n GLN 123 Ca 0.13 -2.42 -0.10 0.00 -1.94 0.00 0.00 57.00 52.68 1g1r n GLN 123 Cb 0.44 0.03 -0.06 0.00 0.11 0.00 0.00 30.24 30.76 1g1r n GLN 123 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1g1r h ASP 124 N 0.26 -0.38 0.00 1.08 3.58 -2.02 -3.28 116.42 115.66 1g1r h ASP 124 Ca -0.23 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1g1r h ASP 124 Cb 0.93 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1g1r h ASP 124 CO 0.34 0.08 0.00 0.23 -2.88 0.00 0.00 179.24 177.01 1g1r n MET 125 N -5.09 0.74 -1.71 0.28 2.81 -1.26 -4.70 117.12 108.20 1g1r n MET 125 Ca -0.08 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.50 1g1r n MET 125 Cb 0.24 -1.07 0.04 0.00 -0.71 0.00 0.00 33.22 31.72 1g1r n MET 125 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1g1r s SER 126 N -1.06 5.60 -0.90 7.83 0.01 -1.24 -3.49 113.70 120.46 1g1r s SER 126 Ca 0.00 1.62 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1g1r s SER 126 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1g1r s SER 126 CO 0.00 -1.29 0.00 0.00 0.41 0.00 0.00 173.24 172.36 1g1r n SER 128 N -0.50 -5.83 -1.11 0.00 7.64 -1.23 -0.73 113.62 111.86 1g1r n SER 128 Ca -0.08 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.71 1g1r n SER 128 Cb 0.47 -4.86 -0.04 0.00 -1.01 0.00 0.00 64.21 58.77 1g1r n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1g1r n LYS 129 N -3.00 -1.32 -0.22 1.43 4.01 -0.45 -4.73 118.16 113.88 1g1r n LYS 129 Ca -0.24 0.53 0.07 0.00 -0.51 0.00 0.00 58.31 58.16 1g1r n LYS 129 Cb 0.69 -4.61 0.19 0.00 -0.51 0.00 0.00 35.03 30.79 1g1r n LYS 129 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1g1r n GLN 130 N -1.37 2.84 -3.67 1.97 6.02 0.09 -5.01 117.38 118.25 1g1r n GLN 130 Ca -0.08 -2.20 -0.08 0.00 -0.01 0.00 0.00 57.00 54.63 1g1r n GLN 130 Cb 0.31 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 1g1r n GLN 130 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1g1r s GLY 131 N -1.00 -0.31 1.32 1.08 0.00 -1.22 -0.46 107.32 106.72 1g1r s GLY 131 Ca 0.29 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.95 1g1r s GLY 131 CO 0.20 0.05 1.02 1.85 0.00 0.00 0.00 173.10 176.21 1g1r s GLU 132 N -3.68 -2.14 -0.31 2.90 2.12 -1.26 -4.77 118.70 111.56 1g1r s GLU 132 Ca 0.08 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 1g1r s GLU 132 Cb -0.03 -1.48 0.11 0.00 0.26 0.00 0.00 34.13 32.99 1g1r s GLU 132 CO -0.01 -4.34 0.14 0.00 -0.54 0.00 0.00 175.26 170.50 1g1r s LEU 134 N 1.76 4.47 -0.07 0.00 1.43 -0.72 -4.93 118.68 120.62 1g1r s LEU 134 Ca 0.11 1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 54.44 1g1r s LEU 134 Cb -0.18 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1g1r s LEU 134 CO -0.27 0.05 0.70 -1.61 0.23 0.00 0.00 176.35 175.45 1g1r s GLU 135 N -0.23 4.44 0.52 1.70 0.41 -1.26 -0.44 118.70 123.84 1g1r s GLU 135 Ca 0.38 0.88 0.07 0.00 -0.41 0.00 0.00 54.97 55.88 1g1r s GLU 135 Cb -0.21 -3.45 0.03 0.00 -1.78 0.00 0.00 34.13 28.73 1g1r s GLU 135 CO 0.23 0.06 0.45 0.95 -0.49 0.00 0.00 175.26 176.46 1g1r s THR 136 N 0.81 1.92 -0.93 3.63 -4.23 -1.04 -4.72 115.64 111.08 1g1r s THR 136 Ca 0.37 -1.40 -0.24 0.00 -1.18 0.00 0.00 61.69 59.24 1g1r s THR 136 Cb -0.18 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1g1r s THR 136 CO 0.18 0.00 1.83 -0.63 -0.54 0.00 0.00 174.62 175.46 1g1r s ILE 137 N -2.70 3.56 0.00 2.99 1.01 -1.26 0.29 121.20 125.09 1g1r s ILE 137 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1g1r s ILE 137 Cb -0.03 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1g1r s ILE 137 CO 0.25 -1.18 0.00 0.61 0.00 0.00 0.00 174.94 174.62 1g1r n GLY 138 N 6.86 2.74 0.00 6.18 0.00 0.41 -4.87 105.19 116.51 1g1r n GLY 138 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1g1r n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g1r n ASN 139 N 0.00 0.00 -3.65 1.61 2.85 -1.21 -4.44 115.26 110.42 1g1r n ASN 139 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1g1r n ASN 139 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 1g1r n ASN 139 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1g1r s TYR 140 N 3.44 -0.03 0.46 1.20 1.13 -1.26 -0.82 117.35 121.46 1g1r s TYR 140 Ca 0.00 0.07 0.07 0.00 -1.41 0.00 0.00 57.07 55.80 1g1r s TYR 140 Cb 0.00 0.49 -0.00 0.00 -1.10 0.00 0.00 41.96 41.35 1g1r s TYR 140 CO 0.00 -0.02 0.39 0.95 -2.51 0.00 0.00 175.55 174.36 1g1r s THR 141 N -0.43 2.35 0.09 -3.49 -4.23 0.41 -4.84 115.64 105.50 1g1r s THR 141 Ca 0.08 -1.39 0.09 0.00 -1.18 0.00 0.00 61.69 59.29 1g1r s THR 141 Cb -0.03 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1g1r s THR 141 CO -0.13 0.00 -0.20 0.00 -0.54 0.00 0.00 174.62 173.75 1g1r n SER 143 N 1.16 4.25 0.00 0.00 2.88 -1.19 -4.94 113.62 115.79 1g1r n SER 143 Ca -0.16 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 53.90 1g1r n SER 143 Cb 0.52 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1g1r n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g1r s TYR 145 N 0.00 3.50 0.04 0.00 2.02 0.39 -4.84 117.35 118.46 1g1r s TYR 145 Ca 0.00 1.68 -0.33 0.00 -0.37 0.00 0.00 57.07 58.05 1g1r s TYR 145 Cb 0.00 -3.26 -0.17 0.00 -0.40 0.00 0.00 41.96 38.12 1g1r s TYR 145 CO 0.00 -0.60 0.84 -2.30 -1.57 0.00 0.00 175.55 171.92 1g1r n PRO 146 N 0.93 0.00 0.00 -1.71 -0.02 -1.26 -1.63 135.00 131.31 1g1r n PRO 146 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1g1r n PRO 146 Cb 0.46 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1g1r n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1r n GLY 147 N 1.44 2.17 3.17 -1.23 0.00 -1.26 -5.06 105.19 104.42 1g1r n GLY 147 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1g1r n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g1r s PHE 148 N -2.48 1.31 0.35 1.61 0.40 -0.65 -1.11 117.98 117.41 1g1r s PHE 148 Ca 0.00 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1g1r s PHE 148 Cb 0.00 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 1g1r s PHE 148 CO 0.00 0.06 0.26 1.52 0.70 0.00 0.00 175.22 177.75 1g1r s TYR 149 N -0.98 1.77 0.00 0.36 1.13 0.20 -4.52 117.35 115.30 1g1r s TYR 149 Ca 0.01 -1.61 0.00 0.00 -1.41 0.00 0.00 57.07 54.06 1g1r s TYR 149 Cb -0.09 -0.79 0.00 0.00 -1.10 0.00 0.00 41.96 39.98 1g1r s TYR 149 CO 0.02 -0.78 0.00 0.41 -2.51 0.00 0.00 175.55 172.69 1g1r n GLY 150 N -0.68 2.60 0.24 5.49 0.00 -1.26 -0.91 105.19 110.67 1g1r n GLY 150 Ca 0.05 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.28 1g1r n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1r h PRO 151 N 0.00 0.00 -0.09 1.61 0.13 -2.01 -1.49 132.00 130.14 1g1r h PRO 151 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1g1r h PRO 151 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 1g1r h PRO 151 CO 0.00 0.00 -1.04 0.39 -0.23 0.00 0.00 178.00 177.12 1g1r n GLU 152 N -2.45 0.42 -2.34 0.86 1.02 -1.26 -4.24 120.64 112.66 1g1r n GLU 152 Ca -0.01 -2.36 -0.08 0.00 -0.02 0.00 0.00 57.16 54.69 1g1r n GLU 152 Cb 0.32 -0.39 -0.01 0.00 -0.02 0.00 0.00 31.44 31.35 1g1r n GLU 152 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g1r h GLU 154 N 0.00 0.00 -5.84 0.00 4.11 -1.64 -3.40 114.58 107.81 1g1r h GLU 154 Ca -0.19 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.62 1g1r h GLU 154 Cb 1.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 1g1r h GLU 154 CO 0.22 0.16 -0.31 0.71 0.07 0.00 0.00 179.01 179.87 1g1r s TYR 155 N -3.89 3.66 -0.19 2.06 2.02 -0.08 -4.96 117.35 115.97 1g1r s TYR 155 Ca -0.01 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 1g1r s TYR 155 Cb 0.11 -2.18 0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1g1r s TYR 155 CO 0.60 0.64 -0.08 0.54 -1.57 0.00 0.00 175.55 175.68 1g1r s VAL 156 N -0.93 1.47 0.36 0.71 0.11 -1.26 0.59 120.40 121.45 1g1r s VAL 156 Ca 0.20 -0.91 -0.21 0.00 -2.93 0.00 0.00 61.98 58.14 1g1r s VAL 156 Cb -0.15 -1.59 -0.15 0.00 -1.53 0.00 0.00 36.38 32.96 1g1r s VAL 156 CO 0.09 0.14 0.12 0.54 -3.33 0.00 0.00 175.10 172.67 1g1r n ARG 157 N 4.74 0.00 -2.75 1.54 5.12 -0.27 -4.89 116.66 120.15 1g1r n ARG 157 Ca -0.14 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.38 1g1r n ARG 157 Cb 0.47 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.77 1g1r n ARG 157 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1g1r s ASP 158 N -0.94 7.64 0.00 0.55 -0.00 -1.26 -5.04 116.67 117.61 1g1r s ASP 158 Ca 0.56 1.95 0.00 0.00 -0.00 0.00 0.00 52.55 55.06 1g1r s ASP 158 Cb -0.63 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 39.68 1g1r s ASP 158 CO 0.58 0.15 0.00 0.47 -0.00 0.00 0.00 175.17 176.37