#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 3.35 0.08 -1.67 2.01 -0.58 -1.28 115.64 117.56 1g1r s THR 2 Ca 0.00 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.26 1g1r s THR 2 Cb 0.00 -2.36 -0.06 0.00 0.01 0.00 0.00 72.50 70.09 1g1r s THR 2 CO 0.00 0.58 0.48 -0.31 -0.69 0.00 0.00 174.62 174.68 1g1r s TYR 3 N -0.57 3.66 -0.01 4.92 2.02 -1.26 0.03 117.35 126.15 1g1r s TYR 3 Ca 0.08 1.02 -0.12 0.00 -0.37 0.00 0.00 57.07 57.68 1g1r s TYR 3 Cb -0.12 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1g1r s TYR 3 CO 0.02 0.53 0.24 -1.01 -1.57 0.00 0.00 175.55 173.75 1g1r s HIS 4 N -1.30 -0.09 0.16 2.71 3.76 0.82 -4.92 115.29 116.43 1g1r s HIS 4 Ca 0.32 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1g1r s HIS 4 Cb -0.16 0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 1g1r s HIS 4 CO 0.17 -0.35 0.02 1.52 -0.85 0.00 0.00 174.74 175.25 1g1r s TYR 5 N -1.40 1.09 -0.35 1.40 1.13 -1.26 0.34 117.35 118.31 1g1r s TYR 5 Ca -0.14 -1.08 -0.13 0.00 -1.41 0.00 0.00 57.07 54.31 1g1r s TYR 5 Cb -0.06 -0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 40.16 1g1r s TYR 5 CO 0.03 -0.31 0.26 -1.54 -2.51 0.00 0.00 175.55 171.49 1g1r s SER 6 N -3.13 6.08 0.25 -0.18 1.04 -0.70 -4.95 113.70 112.11 1g1r s SER 6 Ca 0.23 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.17 1g1r s SER 6 Cb 0.07 -2.15 0.45 0.00 0.10 0.00 0.00 66.02 64.48 1g1r s SER 6 CO 0.03 -0.27 1.63 0.71 0.98 0.00 0.00 173.24 176.32 1g1r h THR 7 N 5.51 0.34 -2.53 2.02 1.35 -2.01 -3.40 112.91 114.18 1g1r h THR 7 Ca -0.31 -0.04 -0.46 0.00 -0.55 0.00 0.00 66.41 65.06 1g1r h THR 7 Cb 1.15 0.22 0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1g1r h THR 7 CO 0.65 0.02 -0.18 -0.54 -0.25 0.00 0.00 175.52 175.22 1g1r s LYS 8 N -6.11 3.18 -0.12 4.72 -0.14 -1.26 -5.07 119.74 114.95 1g1r s LYS 8 Ca -0.13 -0.58 -0.01 0.00 -1.36 0.00 0.00 55.97 53.89 1g1r s LYS 8 Cb 0.22 -2.65 -0.02 0.00 -1.68 0.00 0.00 37.83 33.70 1g1r s LYS 8 CO 0.75 -0.08 -0.09 0.00 -0.76 0.00 0.00 175.35 175.18 1g1r s ALA 9 N -2.39 2.79 0.41 5.17 0.00 -1.26 -4.64 121.76 121.84 1g1r s ALA 9 Ca 0.45 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1g1r s ALA 9 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1g1r s ALA 9 CO 0.36 0.32 0.09 0.71 0.00 0.00 0.00 175.76 177.23 1g1r s TYR 10 N 0.08 1.85 0.00 0.00 2.02 0.15 -4.67 117.35 116.78 1g1r s TYR 10 Ca -0.03 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 55.51 1g1r s TYR 10 Cb -0.14 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1g1r s TYR 10 CO 0.04 -0.14 0.00 -1.13 -1.57 0.00 0.00 175.55 172.75 1g1r n SER 11 N -1.17 0.00 -0.05 2.29 3.41 -1.26 -0.80 113.62 116.04 1g1r n SER 11 Ca -0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.49 1g1r n SER 11 Cb 0.66 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.52 1g1r n SER 11 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1g1r n TRP 12 N 0.00 0.00 0.06 7.33 -0.00 -0.99 -3.64 117.44 120.19 1g1r n TRP 12 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.43 1g1r n TRP 12 Cb 0.00 -0.54 -0.12 0.00 -0.00 0.00 0.00 31.31 30.66 1g1r n TRP 12 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1g1r h ASN 13 N 0.00 0.00 0.12 5.87 2.35 -1.93 -2.33 115.58 119.66 1g1r h ASN 13 Ca -0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1g1r h ASN 13 Cb 1.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1g1r h ASN 13 CO 0.02 0.98 -0.06 0.40 -1.65 0.00 0.00 177.43 177.11 1g1r h ILE 14 N 0.00 0.98 -0.36 2.81 1.08 -1.92 -2.63 117.51 117.47 1g1r h ILE 14 Ca -0.04 -1.26 0.10 0.00 -0.39 0.00 0.00 64.86 63.28 1g1r h ILE 14 Cb 1.77 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 37.18 1g1r h ILE 14 CO 0.12 0.26 0.45 0.28 -0.69 0.00 0.00 178.15 178.58 1g1r h SER 15 N -0.84 0.00 0.67 1.72 0.02 -1.62 0.53 113.55 114.03 1g1r h SER 15 Ca -0.02 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.67 1g1r h SER 15 Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1g1r h SER 15 CO 0.03 0.00 -1.32 -0.09 -1.14 0.00 0.00 176.83 174.30 1g1r h ARG 16 N 0.00 0.14 0.07 3.45 2.43 -1.35 -2.81 114.38 116.30 1g1r h ARG 16 Ca 0.17 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1g1r h ARG 16 Cb 1.08 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1g1r h ARG 16 CO -0.00 1.01 -0.03 -0.22 -1.51 0.00 0.00 179.97 179.22 1g1r h LYS 17 N 0.04 -0.09 -0.92 0.20 3.64 0.08 -2.30 116.57 117.22 1g1r h LYS 17 Ca -0.15 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1g1r h LYS 17 Cb 1.93 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 33.60 1g1r h LYS 17 CO 0.15 0.21 -0.31 -0.92 -2.27 0.00 0.00 179.45 176.31 1g1r h TYR 18 N -0.39 -0.79 -0.34 1.91 5.03 -0.23 0.46 116.97 122.62 1g1r h TYR 18 Ca -0.01 0.09 -0.06 0.00 2.58 0.00 0.00 58.73 61.33 1g1r h TYR 18 Cb 0.34 0.49 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1g1r h TYR 18 CO 0.03 -0.40 -0.02 0.00 -1.32 0.00 0.00 178.16 176.45 1g1r h GLN 20 N 0.42 0.87 -0.73 0.00 4.20 -0.67 0.81 115.11 119.99 1g1r h GLN 20 Ca 0.09 -0.36 0.10 0.00 0.06 0.00 0.00 58.65 58.54 1g1r h GLN 20 Cb 0.48 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1g1r h GLN 20 CO 0.02 1.01 0.48 -0.91 -0.67 0.00 0.00 178.83 178.76 1g1r h ASN 21 N 0.69 0.56 0.00 1.46 -0.26 -0.98 -3.23 115.58 113.82 1g1r h ASN 21 Ca 0.10 0.01 -0.33 0.00 -0.56 0.00 0.00 56.30 55.52 1g1r h ASN 21 Cb 0.73 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.82 1g1r h ASN 21 CO 0.06 0.33 -2.26 0.54 -1.06 0.00 0.00 177.43 175.05 1g1r n ARG 22 N -4.49 0.66 0.00 0.81 1.74 -1.14 -5.06 116.66 109.18 1g1r n ARG 22 Ca 0.12 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1g1r n ARG 22 Cb 0.34 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1g1r n ARG 22 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1g1r n TYR 23 N -3.06 0.00 -0.11 -1.55 4.01 0.28 -5.09 117.16 111.63 1g1r n TYR 23 Ca -0.37 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.22 1g1r n TYR 23 Cb 0.95 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.84 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 1.43 -2.74 -0.72 -1.04 -0.70 -4.40 114.28 106.11 1g1r n THR 24 Ca 0.00 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1g1r n THR 24 Cb 0.00 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1g1r n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1g1r n ASP 25 N -3.02 0.00 -4.75 8.00 8.00 -1.19 -4.49 116.55 119.11 1g1r n ASP 25 Ca -0.40 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.80 1g1r n ASP 25 Cb 1.06 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 42.27 1g1r n ASP 25 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g1r s LEU 26 N 0.00 2.70 0.00 0.64 1.43 -1.26 -2.25 118.68 119.94 1g1r s LEU 26 Ca 0.00 1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 54.68 1g1r s LEU 26 Cb 0.00 -4.25 0.14 0.00 0.03 0.00 0.00 46.19 42.11 1g1r s LEU 26 CO 0.00 -2.27 0.31 1.33 0.23 0.00 0.00 176.35 175.95 1g1r n VAL 27 N -3.66 0.00 -3.64 -1.59 0.24 0.98 -4.48 118.33 106.18 1g1r n VAL 27 Ca 0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.31 1g1r n VAL 27 Cb 0.54 -0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 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 -2.04 -2.03 0.04 2.33 0.00 -1.26 -2.44 121.76 116.36 1g1r s ALA 28 Ca 0.24 2.14 0.06 0.00 0.00 0.00 0.00 51.96 54.40 1g1r s ALA 28 Cb -0.04 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1g1r s ALA 28 CO 0.20 -0.32 -0.15 0.42 0.00 0.00 0.00 175.76 175.90 1g1r s ILE 29 N 0.95 2.99 -0.14 0.00 1.01 -1.26 -5.01 121.20 119.75 1g1r s ILE 29 Ca -0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 1g1r s ILE 29 Cb -0.05 -2.28 -0.07 0.00 0.01 0.00 0.00 42.46 40.07 1g1r s ILE 29 CO -0.11 0.32 -0.15 0.00 0.00 0.00 0.00 174.94 174.99 1g1r n GLN 30 N 1.45 0.32 -1.12 2.79 6.02 -1.26 -4.75 117.38 120.82 1g1r n GLN 30 Ca -0.16 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1g1r n GLN 30 Cb 0.52 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.64 1g1r n GLN 30 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1g1r n ASN 31 N -3.27 0.44 -0.04 1.08 0.23 -1.26 -2.95 115.26 109.49 1g1r n ASN 31 Ca -0.26 -0.56 -0.14 0.00 -0.53 0.00 0.00 54.58 53.09 1g1r n ASN 31 Cb 0.73 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.31 1g1r n ASN 31 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1g1r h LYS 32 N 0.00 0.08 -0.99 -3.83 1.79 -1.91 -3.35 116.57 108.35 1g1r h LYS 32 Ca 0.00 -0.08 0.16 0.00 -2.18 0.00 0.00 60.65 58.55 1g1r h LYS 32 Cb 0.00 0.02 -0.16 0.00 -1.58 0.00 0.00 32.23 30.51 1g1r h LYS 32 CO 0.00 0.83 -0.37 -0.91 -1.08 0.00 0.00 179.45 177.92 1g1r h ASN 33 N -0.65 -1.36 -0.37 0.86 2.35 -1.98 0.25 115.58 114.69 1g1r h ASN 33 Ca -0.01 0.31 0.08 0.00 -0.55 0.00 0.00 56.30 56.12 1g1r h ASN 33 Cb 0.87 0.73 -0.08 0.00 0.05 0.00 0.00 38.32 39.89 1g1r h ASN 33 CO 0.02 -0.29 -0.22 -0.33 -1.65 0.00 0.00 177.43 174.96 1g1r h GLU 34 N -0.00 -0.16 -0.56 0.81 5.08 -1.98 1.33 114.58 119.09 1g1r h GLU 34 Ca 0.36 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 1g1r h GLU 34 Cb 0.61 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 1g1r h GLU 34 CO -0.99 -0.11 -0.17 0.82 -1.00 0.00 0.00 179.01 177.57 1g1r h ILE 35 N -0.16 0.39 0.18 3.13 2.04 -0.67 0.83 117.51 123.25 1g1r h ILE 35 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1g1r h ILE 35 Cb 0.45 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1g1r h ILE 35 CO -0.46 0.00 -0.09 -0.78 0.00 0.00 0.00 178.15 176.82 1g1r h ASP 36 N -0.04 -0.21 -0.11 1.72 1.82 -0.07 -0.85 116.42 118.69 1g1r h ASP 36 Ca 0.27 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1g1r h ASP 36 Cb 0.44 0.05 -0.06 0.00 0.68 0.00 0.00 39.33 40.44 1g1r h ASP 36 CO -0.59 -0.05 -0.53 0.22 -1.61 0.00 0.00 179.24 176.68 1g1r h TYR 37 N -0.36 -1.58 -0.78 0.28 3.20 0.36 -2.00 116.97 116.09 1g1r h TYR 37 Ca -0.03 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1g1r h TYR 37 Cb 0.28 0.70 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 1g1r h TYR 37 CO -0.03 -0.55 0.37 -0.07 -1.64 0.00 0.00 178.16 176.24 1g1r h LEU 38 N -0.60 0.44 -0.85 2.82 3.38 0.62 -2.45 115.31 118.67 1g1r h LEU 38 Ca 0.03 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1g1r h LEU 38 Cb 0.69 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1g1r h LEU 38 CO -0.42 0.21 0.54 -1.13 0.09 0.00 0.00 178.44 177.73 1g1r h ASN 39 N 0.57 0.88 0.87 -0.43 -1.24 -0.41 -0.80 115.58 115.02 1g1r h ASN 39 Ca 0.41 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 57.23 1g1r h ASN 39 Cb 0.54 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1g1r h ASN 39 CO -0.34 0.59 -1.21 0.07 -1.29 0.00 0.00 177.43 175.24 1g1r h LYS 40 N 1.02 0.00 0.04 6.67 2.10 -1.30 -3.38 116.57 121.71 1g1r h LYS 40 Ca 0.35 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.86 1g1r h LYS 40 Cb 0.08 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1g1r h LYS 40 CO -0.14 0.54 -0.58 -0.39 -2.00 0.00 0.00 179.45 176.88 1g1r h VAL 41 N 0.00 1.48 -3.81 0.07 -1.51 -1.28 -3.46 116.25 107.75 1g1r h VAL 41 Ca -0.13 -2.18 -0.52 0.00 -1.23 0.00 0.00 66.70 62.63 1g1r h VAL 41 Cb 1.70 2.81 0.06 0.00 -2.13 0.00 0.00 31.29 33.73 1g1r h VAL 41 CO 0.08 0.62 0.65 -0.76 -1.23 0.00 0.00 177.57 176.92 1g1r s LEU 42 N -8.25 4.43 1.16 4.19 1.43 -0.32 -5.03 118.68 116.29 1g1r s LEU 42 Ca -0.14 2.66 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 1g1r s LEU 42 Cb 0.02 -3.64 0.27 0.00 0.03 0.00 0.00 46.19 42.87 1g1r s LEU 42 CO 0.81 -0.54 1.15 -2.16 0.23 0.00 0.00 176.35 175.84 1g1r s PRO 43 N -1.57 -0.88 -0.22 1.29 0.04 -1.26 -4.85 135.00 127.55 1g1r s PRO 43 Ca 0.50 -0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.30 1g1r s PRO 43 Cb -0.40 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1g1r s PRO 43 CO 0.51 -3.47 0.13 -0.47 0.04 0.00 0.00 177.00 173.74 1g1r s TYR 44 N -3.18 3.30 -0.08 0.56 5.04 -1.26 -4.83 117.35 116.91 1g1r s TYR 44 Ca 0.72 0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1g1r s TYR 44 Cb -0.08 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 40.03 1g1r s TYR 44 CO 0.55 0.08 -0.05 0.71 -1.34 0.00 0.00 175.55 175.51 1g1r s TYR 45 N 0.88 1.01 0.48 4.97 2.02 -1.26 -5.05 117.35 120.40 1g1r s TYR 45 Ca 0.07 -0.38 0.29 0.00 -0.37 0.00 0.00 57.07 56.67 1g1r s TYR 45 Cb -0.13 -0.92 1.36 0.00 -0.40 0.00 0.00 41.96 41.87 1g1r s TYR 45 CO 0.03 -0.34 1.78 0.66 -1.57 0.00 0.00 175.55 176.11 1g1r h SER 46 N 7.82 0.20 1.92 2.29 4.64 -1.97 -1.44 113.55 127.00 1g1r h SER 46 Ca -0.29 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1g1r h SER 46 Cb 1.14 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1g1r h SER 46 CO 0.38 0.03 -0.02 0.28 -0.87 0.00 0.00 176.83 176.63 1g1r h SER 47 N 0.17 0.00 -3.88 4.97 0.02 -1.96 -3.50 113.55 109.36 1g1r h SER 47 Ca 0.59 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.60 1g1r h SER 47 Cb 1.95 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.47 1g1r h SER 47 CO -0.15 0.00 -0.09 -1.22 -1.14 0.00 0.00 176.83 174.23 1g1r n TYR 48 N -2.99 -0.62 -4.13 3.45 4.01 -0.54 -4.77 117.16 111.56 1g1r n TYR 48 Ca 0.04 0.31 -0.31 0.00 -0.16 0.00 0.00 57.90 57.78 1g1r n TYR 48 Cb 0.52 -0.56 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.26 3.06 -0.22 -0.72 1.51 -1.19 -1.33 117.35 117.20 1g1r s TYR 49 Ca 0.00 0.02 -0.22 0.00 -1.01 0.00 0.00 57.07 55.86 1g1r s TYR 49 Cb 0.00 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1g1r s TYR 49 CO 0.00 0.49 0.71 -1.58 -1.11 0.00 0.00 175.55 174.06 1g1r s TRP 50 N -1.29 3.33 0.65 2.71 0.23 0.62 -0.47 118.94 124.72 1g1r s TRP 50 Ca 0.26 0.99 -0.03 0.00 -2.03 0.00 0.00 56.10 55.29 1g1r s TRP 50 Cb -0.12 -2.91 0.06 0.00 0.03 0.00 0.00 33.47 30.54 1g1r s TRP 50 CO 0.18 -0.29 0.93 0.96 0.96 0.00 0.00 176.95 179.68 1g1r s ILE 51 N 2.39 2.40 -1.07 2.03 -4.36 -0.56 -3.15 121.20 118.88 1g1r s ILE 51 Ca 0.31 -0.46 -0.03 0.00 -0.26 0.00 0.00 60.65 60.20 1g1r s ILE 51 Cb -0.16 -2.94 0.31 0.00 1.25 0.00 0.00 42.46 40.93 1g1r s ILE 51 CO 0.09 0.00 1.57 0.61 0.24 0.00 0.00 174.94 177.45 1g1r n GLY 52 N -2.71 5.40 3.29 6.27 0.00 -1.02 -4.70 105.19 111.71 1g1r n GLY 52 Ca 0.09 -2.64 -0.11 0.00 0.00 0.00 0.00 46.02 43.35 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 -3.13 -0.02 0.43 -0.61 2.07 -1.26 -2.25 121.20 116.43 1g1r s ILE 53 Ca 0.33 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.66 1g1r s ILE 53 Cb 0.08 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 1g1r s ILE 53 CO 0.06 0.02 0.05 -0.13 -1.91 0.00 0.00 174.94 173.03 1g1r s ARG 54 N 0.97 1.98 -0.36 3.50 1.81 -1.20 -3.98 118.95 121.67 1g1r s ARG 54 Ca -0.06 -2.19 0.03 0.00 -1.72 0.00 0.00 55.73 51.78 1g1r s ARG 54 Cb -0.06 -1.19 0.11 0.00 -0.45 0.00 0.00 34.95 33.35 1g1r s ARG 54 CO -0.08 -0.30 0.11 0.21 -0.68 0.00 0.00 175.30 174.56 1g1r s LYS 55 N -3.80 1.31 -0.05 3.54 2.20 -1.26 -1.73 119.74 119.95 1g1r s LYS 55 Ca 0.22 -1.77 -0.25 0.00 -0.36 0.00 0.00 55.97 53.81 1g1r s LYS 55 Cb 0.05 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1g1r s LYS 55 CO 0.11 -1.00 0.76 0.54 -0.36 0.00 0.00 175.35 175.41 1g1r s ASN 56 N 0.89 7.07 0.01 1.43 6.03 -1.04 -4.74 114.94 124.59 1g1r s ASN 56 Ca 0.12 1.29 0.00 0.00 -1.03 0.00 0.00 52.86 53.24 1g1r s ASN 56 Cb -0.20 -2.44 0.00 0.00 -3.03 0.00 0.00 41.25 35.58 1g1r s ASN 56 CO -0.11 -0.15 0.00 -0.46 -2.03 0.00 0.00 177.10 174.36 1g1r n ASN 57 N 3.81 0.00 0.00 3.54 6.94 -1.26 -1.52 115.26 126.77 1g1r n ASN 57 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1g1r n ASN 57 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1g1r n ASN 57 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1g1r n LYS 58 N 0.00 0.00 -4.02 -3.83 5.02 -1.26 -5.07 118.16 109.00 1g1r n LYS 58 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1g1r n LYS 58 Cb 0.00 -0.24 -0.11 0.00 -0.02 0.00 0.00 35.03 34.66 1g1r n LYS 58 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1g1r s THR 59 N 0.00 4.37 0.13 -0.18 2.01 -0.57 -5.09 115.64 116.31 1g1r s THR 59 Ca 0.00 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 1g1r s THR 59 Cb 0.00 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 1g1r s THR 59 CO 0.00 0.42 0.74 0.26 -0.69 0.00 0.00 174.62 175.35 1g1r s TRP 60 N 0.82 3.86 -0.07 4.92 0.52 -1.26 -2.51 118.94 125.22 1g1r s TRP 60 Ca 0.02 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 57.66 1g1r s TRP 60 Cb -0.14 -2.73 0.03 0.00 -1.15 0.00 0.00 33.47 29.49 1g1r s TRP 60 CO 0.02 0.49 0.04 0.99 0.02 0.00 0.00 176.95 178.51 1g1r s THR 61 N -0.96 0.10 0.25 2.01 2.01 -0.70 -1.70 115.64 116.64 1g1r s THR 61 Ca 0.35 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1g1r s THR 61 Cb -0.22 -0.38 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 1g1r s THR 61 CO 0.24 0.14 1.48 0.26 -0.69 0.00 0.00 174.62 176.05 1g1r s TRP 62 N 2.08 2.98 0.20 4.92 0.52 -0.86 -3.21 118.94 125.56 1g1r s TRP 62 Ca 0.04 0.93 -0.11 0.00 0.02 0.00 0.00 56.10 56.99 1g1r s TRP 62 Cb -0.13 -3.88 0.21 0.00 -1.15 0.00 0.00 33.47 28.52 1g1r s TRP 62 CO -0.05 -2.93 1.78 -0.39 0.02 0.00 0.00 176.95 175.38 1g1r h VAL 63 N 3.57 0.90 -0.01 4.03 -1.51 -1.77 0.14 116.25 121.60 1g1r h VAL 63 Ca -0.46 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1g1r h VAL 63 Cb 1.22 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1g1r h VAL 63 CO 0.80 0.10 -0.13 0.61 -1.23 0.00 0.00 177.57 177.71 1g1r n GLY 64 N -1.27 -0.56 0.07 5.19 0.00 -1.26 -4.03 105.19 103.33 1g1r n GLY 64 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1g1r n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1g1r n THR 65 N -0.53 0.83 -0.95 2.61 -2.24 -1.14 -4.97 114.28 107.88 1g1r n THR 65 Ca 0.15 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1g1r n THR 65 Cb 0.31 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 -2.87 -0.19 -3.24 -0.78 4.01 0.47 -4.99 118.16 110.58 1g1r n LYS 66 Ca -0.25 0.05 -0.33 0.00 -0.51 0.00 0.00 58.31 57.26 1g1r n LYS 66 Cb 0.78 -3.13 -0.06 0.00 -0.51 0.00 0.00 35.03 32.12 1g1r n LYS 66 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1g1r s LYS 67 N -0.28 4.00 0.39 1.97 1.02 -1.25 -4.86 119.74 120.72 1g1r s LYS 67 Ca 0.00 0.58 -0.20 0.00 0.02 0.00 0.00 55.97 56.37 1g1r s LYS 67 Cb 0.00 -2.65 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 1g1r s LYS 67 CO 0.00 0.30 0.90 0.00 -0.92 0.00 0.00 175.35 175.63 1g1r s ALA 68 N -1.77 3.13 0.43 5.17 0.00 -1.26 -2.03 121.76 125.42 1g1r s ALA 68 Ca 0.48 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 1g1r s ALA 68 Cb -0.12 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 1g1r s ALA 68 CO 0.19 0.18 1.37 -1.17 0.00 0.00 0.00 175.76 176.34 1g1r s LEU 69 N -2.97 4.16 0.25 0.00 2.96 -0.69 -4.91 118.68 117.48 1g1r s LEU 69 Ca 0.59 2.81 0.12 0.00 -0.22 0.00 0.00 54.13 57.42 1g1r s LEU 69 Cb -0.11 -3.92 -0.05 0.00 0.50 0.00 0.00 46.19 42.62 1g1r s LEU 69 CO 0.15 -1.03 -0.21 0.42 -1.32 0.00 0.00 176.35 174.37 1g1r s THR 70 N -1.23 2.40 0.58 3.68 -4.23 -1.26 -4.98 115.64 110.60 1g1r s THR 70 Ca 0.59 -2.30 0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1g1r s THR 70 Cb -0.41 -2.23 0.41 0.00 1.34 0.00 0.00 72.50 71.61 1g1r s THR 70 CO 0.53 -0.33 1.83 0.78 -0.54 0.00 0.00 174.62 176.89 1g1r h ASN 71 N 2.54 0.00 0.33 3.99 2.35 -1.95 0.45 115.58 123.29 1g1r h ASN 71 Ca -0.42 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 1g1r h ASN 71 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1g1r h ASN 71 CO 0.57 0.00 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.86 1g1r h GLU 72 N 0.00 -0.43 -0.60 0.81 3.07 -1.95 -3.24 114.58 112.24 1g1r h GLU 72 Ca 0.30 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 1g1r h GLU 72 Cb 1.52 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.51 1g1r h GLU 72 CO -0.00 -0.10 0.06 0.00 -1.40 0.00 0.00 179.01 177.57 1g1r h ALA 73 N -0.50 0.80 -0.99 3.43 0.00 -0.91 -3.34 119.26 117.75 1g1r h ALA 73 Ca -0.05 -0.28 -0.86 0.00 0.00 0.00 0.00 54.91 53.73 1g1r h ALA 73 Cb 0.52 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1g1r h ALA 73 CO 0.07 0.59 0.60 -1.91 0.00 0.00 0.00 179.25 178.60 1g1r n GLU 74 N -4.26 0.00 -2.70 0.00 0.00 0.14 -4.87 120.64 108.95 1g1r n GLU 74 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.12 1g1r n GLU 74 Cb 0.30 -1.48 0.10 0.00 0.00 0.00 0.00 31.44 30.36 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 3.61 -1.85 -3.28 4.31 5.15 -1.26 -4.95 115.26 116.99 1g1r n ASN 75 Ca 0.29 -2.53 -0.24 0.00 -0.60 0.00 0.00 54.58 51.50 1g1r n ASN 75 Cb -0.04 1.17 0.22 0.00 -0.53 0.00 0.00 39.78 40.60 1g1r n ASN 75 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1g1r n TRP 76 N -0.39 -3.61 -2.85 1.20 7.02 -1.26 0.48 117.44 118.02 1g1r n TRP 76 Ca -0.05 -0.74 -0.22 0.00 -1.02 0.00 0.00 57.50 55.47 1g1r n TRP 76 Cb 0.79 -0.95 0.09 0.00 -2.42 0.00 0.00 31.31 28.82 1g1r n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1g1r s ALA 77 N -2.65 4.30 -0.12 6.99 0.00 0.29 -3.57 121.76 127.00 1g1r s ALA 77 Ca 0.56 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.17 1g1r s ALA 77 Cb -0.07 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1g1r s ALA 77 CO 0.44 -1.21 1.60 -0.51 0.00 0.00 0.00 175.76 176.09 1g1r s ASP 78 N -4.74 6.59 -0.65 0.00 1.01 -1.26 -2.85 116.67 114.77 1g1r s ASP 78 Ca 0.65 1.96 -0.04 0.00 0.71 0.00 0.00 52.55 55.83 1g1r s ASP 78 Cb -0.05 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1g1r s ASP 78 CO 0.42 -1.03 0.57 0.59 0.21 0.00 0.00 175.17 175.93 1g1r n ASN 79 N 7.56 -4.88 -3.88 0.27 5.03 -1.26 -5.07 115.26 113.02 1g1r n ASN 79 Ca 0.17 -0.43 -0.11 0.00 0.87 0.00 0.00 54.58 55.08 1g1r n ASN 79 Cb 0.44 -3.42 -0.12 0.00 -1.02 0.00 0.00 39.78 35.66 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 -3.85 0.20 0.71 3.52 0.41 -1.13 -4.55 118.70 114.01 1g1r s GLU 80 Ca 0.28 -0.15 -0.10 0.00 -0.41 0.00 0.00 54.97 54.59 1g1r s GLU 80 Cb -0.04 0.08 0.03 0.00 -1.78 0.00 0.00 34.13 32.43 1g1r s GLU 80 CO 0.46 -0.04 1.07 -1.25 -0.49 0.00 0.00 175.26 175.01 1g1r s PRO 81 N -0.54 2.59 -0.27 0.39 0.04 -1.26 -4.70 135.00 131.25 1g1r s PRO 81 Ca -0.06 0.22 0.20 0.00 0.04 0.00 0.00 61.00 61.40 1g1r s PRO 81 Cb -0.04 -2.07 0.50 0.00 0.04 0.00 0.00 34.50 32.93 1g1r s PRO 81 CO 0.00 -1.12 1.11 0.27 0.04 0.00 0.00 177.00 177.30 1g1r n ASN 82 N -2.99 2.08 -3.81 6.66 0.23 -1.26 -5.06 115.26 111.10 1g1r n ASN 82 Ca 0.07 -2.33 -0.13 0.00 -0.53 0.00 0.00 54.58 51.66 1g1r n ASN 82 Cb 0.58 -0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 37.69 1g1r n ASN 82 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1g1r s ASN 83 N -3.73 -0.15 -0.16 0.53 0.01 -1.26 -5.07 114.94 105.11 1g1r s ASN 83 Ca 0.31 0.30 -0.16 0.00 -0.71 0.00 0.00 52.86 52.59 1g1r s ASN 83 Cb 0.34 0.29 -0.05 0.00 0.41 0.00 0.00 41.25 42.24 1g1r s ASN 83 CO -0.03 -0.06 -0.31 0.29 -1.51 0.00 0.00 177.10 175.48 1g1r n LYS 84 N 3.17 0.48 -0.97 -0.60 4.76 -1.26 -4.98 118.16 118.75 1g1r n LYS 84 Ca -0.14 0.19 -0.36 0.00 -2.87 0.00 0.00 58.31 55.13 1g1r n LYS 84 Cb 0.58 -1.33 0.04 0.00 -1.84 0.00 0.00 35.03 32.47 1g1r n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1g1r n ARG 85 N -4.30 0.00 -1.03 1.97 1.74 -1.26 -4.97 116.66 108.81 1g1r n ARG 85 Ca -0.13 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.67 1g1r n ARG 85 Cb 0.47 -0.97 0.18 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.97 2.43 -1.05 0.55 4.22 -1.26 -3.96 114.94 114.90 1g1r s ASN 86 Ca 0.38 1.34 -0.08 0.00 -2.14 0.00 0.00 52.86 52.36 1g1r s ASN 86 Cb -0.11 -2.02 0.07 0.00 1.28 0.00 0.00 41.25 40.47 1g1r s ASN 86 CO 0.77 -3.27 0.33 0.59 -2.04 0.00 0.00 177.10 173.47 1g1r n ASN 87 N -4.28 -2.88 -0.37 3.54 4.13 -1.26 -4.67 115.26 109.47 1g1r n ASN 87 Ca 0.05 -0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1g1r n ASN 87 Cb 0.56 -2.44 0.00 0.00 -1.54 0.00 0.00 39.78 36.36 1g1r n ASN 87 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1g1r n GLU 88 N -3.37 0.02 0.01 3.52 1.02 -1.25 0.39 120.64 120.99 1g1r n GLU 88 Ca -0.01 -0.89 0.11 0.00 -0.02 0.00 0.00 57.16 56.34 1g1r n GLU 88 Cb 0.53 -0.51 -0.02 0.00 -0.02 0.00 0.00 31.44 31.42 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 -0.02 0.62 -4.65 1.62 5.75 -1.20 -1.18 116.55 117.50 1g1r n ASP 89 Ca 0.00 -0.36 -0.43 0.00 -0.01 0.00 0.00 54.79 53.99 1g1r n ASP 89 Cb 0.65 0.95 -0.02 0.00 -1.03 0.00 0.00 41.12 41.67 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 4.27 5.17 0.40 0.00 1.01 -1.26 -0.93 120.40 129.07 1g1r s VAL 91 Ca 0.65 0.77 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1g1r s VAL 91 Cb -0.25 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1g1r s VAL 91 CO 0.24 0.46 0.45 -1.83 0.00 0.00 0.00 175.10 174.41 1g1r s GLU 92 N -0.16 2.74 -0.07 2.72 -1.05 -0.45 -1.50 118.70 120.94 1g1r s GLU 92 Ca 0.22 -1.33 0.01 0.00 -0.15 0.00 0.00 54.97 53.71 1g1r s GLU 92 Cb -0.15 -2.58 0.02 0.00 -0.44 0.00 0.00 34.13 30.98 1g1r s GLU 92 CO 0.09 -0.15 -0.06 -1.50 0.95 0.00 0.00 175.26 174.60 1g1r s ILE 93 N -2.37 0.74 -0.61 1.83 2.07 0.38 -2.92 121.20 120.32 1g1r s ILE 93 Ca 0.49 -0.18 -0.26 0.00 -1.41 0.00 0.00 60.65 59.29 1g1r s ILE 93 Cb -0.07 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1g1r s ILE 93 CO 0.30 0.29 2.06 -0.31 -1.91 0.00 0.00 174.94 175.36 1g1r s TYR 94 N 1.24 1.47 -0.23 3.50 2.02 -1.08 -3.14 117.35 121.13 1g1r s TYR 94 Ca -0.05 1.06 -0.18 0.00 -0.37 0.00 0.00 57.07 57.53 1g1r s TYR 94 Cb -0.14 -3.91 -0.03 0.00 -0.40 0.00 0.00 41.96 37.49 1g1r s TYR 94 CO -0.02 -2.30 0.52 0.42 -1.57 0.00 0.00 175.55 172.60 1g1r s ILE 95 N 10.35 5.08 -1.55 2.71 -1.09 -1.26 -2.19 121.20 133.25 1g1r s ILE 95 Ca 0.78 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 60.09 1g1r s ILE 95 Cb -0.13 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1g1r s ILE 95 CO 0.20 0.12 0.41 0.29 -1.23 0.00 0.00 174.94 174.73 1g1r n LYS 96 N 5.22 -3.76 -1.89 2.79 5.02 -1.26 -4.65 118.16 119.63 1g1r n LYS 96 Ca -0.04 0.90 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 1g1r n LYS 96 Cb 0.50 -5.62 -0.02 0.00 -0.02 0.00 0.00 35.03 29.87 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 -2.54 6.49 0.14 4.39 0.15 -1.24 -4.95 113.70 116.13 1g1r s SER 97 Ca 0.20 2.86 -0.01 0.00 0.70 0.00 0.00 55.95 59.70 1g1r s SER 97 Cb -0.09 -2.64 -0.09 0.00 -1.71 0.00 0.00 66.02 61.49 1g1r s SER 97 CO 0.25 -0.80 1.31 1.55 1.20 0.00 0.00 173.24 176.75 1g1r h PRO 98 N 4.35 0.27 -0.02 5.44 0.13 -1.95 -3.26 132.00 136.98 1g1r h PRO 98 Ca -0.48 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1g1r h PRO 98 Cb 1.22 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1g1r h PRO 98 CO 0.74 1.05 -0.17 -1.13 -0.23 0.00 0.00 178.00 178.26 1g1r n SER 99 N -3.66 2.01 0.00 1.44 3.41 -1.26 -4.86 113.62 110.70 1g1r n SER 99 Ca -0.05 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1g1r n SER 99 Cb 0.86 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1g1r n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1r n ALA 100 N 0.41 0.00 -1.05 7.33 0.00 -1.26 -5.05 120.51 120.89 1g1r n ALA 100 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1g1r n ALA 100 Cb 0.38 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.94 1g1r n ALA 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1g1r n PRO 101 N 0.00 0.07 0.00 0.00 -0.04 -1.23 -2.32 135.00 131.48 1g1r n PRO 101 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1g1r n PRO 101 Cb 0.00 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1g1r n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g1r n GLY 102 N 0.99 1.72 3.75 0.55 0.00 -0.93 -4.95 105.19 106.32 1g1r n GLY 102 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1g1r n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1r s LYS 103 N 0.00 3.24 0.60 1.61 3.01 -0.98 -4.75 119.74 122.46 1g1r s LYS 103 Ca 0.00 2.28 0.05 0.00 -1.01 0.00 0.00 55.97 57.30 1g1r s LYS 103 Cb 0.00 -2.33 0.09 0.00 -1.01 0.00 0.00 37.83 34.57 1g1r s LYS 103 CO 0.00 -1.13 0.83 -1.58 0.51 0.00 0.00 175.35 173.98 1g1r s TRP 104 N -1.28 1.78 0.00 3.18 0.51 0.18 -2.63 118.94 120.68 1g1r s TRP 104 Ca 0.70 -0.48 0.00 0.00 -2.12 0.00 0.00 56.10 54.20 1g1r s TRP 104 Cb -0.41 -2.53 0.00 0.00 -0.81 0.00 0.00 33.47 29.71 1g1r s TRP 104 CO 0.50 -1.21 0.00 -1.71 -0.51 0.00 0.00 176.95 174.01 1g1r n ASN 105 N -2.39 0.00 -4.75 2.95 5.15 -1.15 -0.55 115.26 114.53 1g1r n ASN 105 Ca 0.14 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.83 1g1r n ASN 105 Cb 0.61 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.99 1g1r n ASN 105 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1g1r s ASP 106 N 0.00 3.54 -0.17 1.20 -4.77 -1.26 -1.34 116.67 113.88 1g1r s ASP 106 Ca 0.00 1.22 -0.35 0.00 -3.30 0.00 0.00 52.55 50.12 1g1r s ASP 106 Cb 0.00 -1.88 0.15 0.00 -1.09 0.00 0.00 42.92 40.10 1g1r s ASP 106 CO 0.00 -2.56 1.43 -0.70 0.70 0.00 0.00 175.17 174.04 1g1r s GLU 107 N -5.10 0.00 -0.05 2.11 2.56 -0.10 -4.80 118.70 113.32 1g1r s GLU 107 Ca 0.63 -0.00 -0.33 0.00 0.00 0.00 0.00 54.97 55.27 1g1r s GLU 107 Cb -0.16 0.00 -0.11 0.00 2.00 0.00 0.00 34.13 35.86 1g1r s GLU 107 CO 0.55 -0.00 1.92 1.58 -0.56 0.00 0.00 175.26 178.75 1g1r n HIS 108 N -0.33 2.39 0.39 5.30 -0.00 -1.25 -2.80 115.22 118.91 1g1r n HIS 108 Ca -0.05 -0.13 0.03 0.00 -0.00 0.00 0.00 57.72 57.58 1g1r n HIS 108 Cb 0.61 -2.71 0.19 0.00 -0.00 0.00 0.00 29.99 28.08 1g1r n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1g1r n LEU 110 N -1.05 3.37 -4.73 0.00 4.77 -1.26 -2.36 117.00 115.73 1g1r n LEU 110 Ca 0.05 -1.85 -0.41 0.00 -0.03 0.00 0.00 56.01 53.77 1g1r n LEU 110 Cb 0.03 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1g1r n LEU 110 CO 0.04 0.81 0.60 -0.54 -1.33 0.00 0.00 177.39 176.97 1g1r s LYS 111 N -1.08 4.62 -1.08 3.23 -0.14 -0.40 -4.75 119.74 120.14 1g1r s LYS 111 Ca 0.35 1.31 -0.22 0.00 -1.36 0.00 0.00 55.97 56.06 1g1r s LYS 111 Cb 0.19 -3.38 0.03 0.00 -1.68 0.00 0.00 37.83 33.00 1g1r s LYS 111 CO 0.25 0.22 1.62 0.15 -0.76 0.00 0.00 175.35 176.83 1g1r s LYS 112 N 0.04 3.47 0.45 1.68 1.02 -1.26 -4.02 119.74 121.12 1g1r s LYS 112 Ca 0.44 -1.21 0.07 0.00 0.02 0.00 0.00 55.97 55.30 1g1r s LYS 112 Cb -0.22 -5.35 -0.02 0.00 -0.52 0.00 0.00 37.83 31.72 1g1r s LYS 112 CO 0.27 -2.50 0.31 0.15 -0.92 0.00 0.00 175.35 172.67 1g1r s LYS 113 N 5.19 2.36 0.32 1.68 1.02 0.02 -4.57 119.74 125.75 1g1r s LYS 113 Ca 0.53 -1.76 -0.15 0.00 0.02 0.00 0.00 55.97 54.60 1g1r s LYS 113 Cb -0.00 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 1g1r s LYS 113 CO -0.03 -0.27 0.74 -1.01 -0.92 0.00 0.00 175.35 173.86 1g1r s HIS 114 N -2.59 3.38 0.08 3.18 3.76 -0.44 -0.67 115.29 121.98 1g1r s HIS 114 Ca 0.42 1.23 -0.22 0.00 -0.15 0.00 0.00 55.06 56.34 1g1r s HIS 114 Cb -0.00 -2.54 -0.07 0.00 1.11 0.00 0.00 32.58 31.08 1g1r s HIS 114 CO 0.24 0.10 0.65 0.00 -0.85 0.00 0.00 174.74 174.88 1g1r s ALA 115 N -1.97 3.51 -0.65 -1.40 0.00 -1.26 -0.28 121.76 119.71 1g1r s ALA 115 Ca 0.54 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 1g1r s ALA 115 Cb -0.10 -2.78 0.17 0.00 0.00 0.00 0.00 23.12 20.41 1g1r s ALA 115 CO 0.17 0.29 0.48 -1.17 0.00 0.00 0.00 175.76 175.53 1g1r s LEU 116 N -0.80 5.40 0.59 0.00 2.96 -1.19 -1.72 118.68 123.91 1g1r s LEU 116 Ca 0.32 -2.86 -0.06 0.00 -0.22 0.00 0.00 54.13 51.31 1g1r s LEU 116 Cb -0.20 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1g1r s LEU 116 CO 0.21 -0.38 0.90 0.00 -1.32 0.00 0.00 176.35 175.75 1g1r s TYR 118 N -2.98 -0.31 -0.27 0.00 1.13 -0.95 -0.13 117.35 113.84 1g1r s TYR 118 Ca 0.54 0.64 -0.01 0.00 -1.41 0.00 0.00 57.07 56.83 1g1r s TYR 118 Cb -0.11 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.93 1g1r s TYR 118 CO 0.45 -0.31 -0.05 0.99 -2.51 0.00 0.00 175.55 174.12 1g1r s THR 119 N -0.61 2.75 0.18 -3.49 2.01 0.10 -1.72 115.64 114.87 1g1r s THR 119 Ca -0.07 -1.32 -0.33 0.00 0.31 0.00 0.00 61.69 60.28 1g1r s THR 119 Cb -0.04 -2.52 -0.15 0.00 0.01 0.00 0.00 72.50 69.80 1g1r s THR 119 CO 0.03 0.02 1.29 0.00 -0.69 0.00 0.00 174.62 175.27 1g1r n ALA 120 N 4.60 -0.10 0.04 7.40 0.00 -1.26 -1.53 120.51 129.66 1g1r n ALA 120 Ca -0.15 0.45 0.10 0.00 0.00 0.00 0.00 53.44 53.85 1g1r n ALA 120 Cb 0.44 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 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 2.23 0.40 -4.59 0.00 7.64 -1.26 -4.85 113.62 113.19 1g1r n SER 121 Ca 0.15 0.16 -0.43 0.00 1.01 0.00 0.00 58.87 59.76 1g1r n SER 121 Cb 0.26 1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 64.67 1g1r n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1r s GLN 123 N 4.75 2.92 0.51 0.00 -1.52 -1.26 -4.94 119.66 120.12 1g1r s GLN 123 Ca 0.45 -0.12 0.21 0.00 -1.95 0.00 0.00 55.36 53.95 1g1r s GLN 123 Cb -0.07 -2.33 1.35 0.00 -0.22 0.00 0.00 33.01 31.74 1g1r s GLN 123 CO 0.28 -0.64 2.11 0.22 -0.25 0.00 0.00 175.29 177.01 1g1r h ASP 124 N -0.08 0.00 0.94 5.90 1.82 -2.02 -2.52 116.42 120.46 1g1r h ASP 124 Ca -0.45 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.14 1g1r h ASP 124 Cb 1.26 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.28 1g1r h ASP 124 CO 0.60 0.09 -0.45 0.24 -1.61 0.00 0.00 179.24 178.10 1g1r h MET 125 N 0.00 -1.21 0.00 0.28 2.86 -2.00 -3.44 114.93 111.41 1g1r h MET 125 Ca -0.00 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1g1r h MET 125 Cb 0.18 0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1g1r h MET 125 CO 0.01 -0.81 0.00 -1.13 1.06 0.00 0.00 176.91 176.04 1g1r n SER 126 N -5.62 0.00 -3.72 1.22 3.41 -0.95 -3.22 113.62 104.75 1g1r n SER 126 Ca -0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.19 1g1r n SER 126 Cb 0.50 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.51 1g1r n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1r n SER 128 N -2.96 -1.80 -1.07 0.00 7.64 -1.20 -0.30 113.62 113.92 1g1r n SER 128 Ca -0.01 0.08 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 1g1r n SER 128 Cb 0.56 -1.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.07 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 -0.54 -0.90 -0.07 1.43 5.02 -1.17 -4.88 118.16 117.06 1g1r n LYS 129 Ca -0.03 0.85 0.06 0.00 -2.02 0.00 0.00 58.31 57.16 1g1r n LYS 129 Cb 0.19 -4.91 0.08 0.00 -0.02 0.00 0.00 35.03 30.36 1g1r n LYS 129 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g1r n GLN 130 N -2.52 1.74 -3.62 1.97 6.02 0.59 -5.07 117.38 116.50 1g1r n GLN 130 Ca -0.13 -2.08 -0.02 0.00 -0.01 0.00 0.00 57.00 54.75 1g1r n GLN 130 Cb 0.46 -1.25 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 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 -2.08 -0.35 0.04 1.08 0.00 -1.21 -1.40 107.32 103.39 1g1r s GLY 131 Ca 0.19 0.98 -0.27 0.00 0.00 0.00 0.00 44.72 45.63 1g1r s GLY 131 CO 0.02 0.28 0.83 1.85 0.00 0.00 0.00 173.10 176.08 1g1r s GLU 132 N -2.62 4.54 -0.12 2.90 2.12 -1.24 -4.71 118.70 119.57 1g1r s GLU 132 Ca 0.11 1.18 -0.12 0.00 0.36 0.00 0.00 54.97 56.50 1g1r s GLU 132 Cb 0.01 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1g1r s GLU 132 CO -0.04 0.20 0.26 0.00 -0.54 0.00 0.00 175.26 175.14 1g1r s LEU 134 N -0.25 0.13 0.74 0.00 1.43 -0.95 -5.01 118.68 114.77 1g1r s LEU 134 Ca 0.17 0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.35 1g1r s LEU 134 Cb -0.13 0.15 -0.05 0.00 0.03 0.00 0.00 46.19 46.18 1g1r s LEU 134 CO 0.05 -0.23 0.37 -0.62 0.23 0.00 0.00 176.35 176.15 1g1r n GLU 135 N 5.14 0.21 -3.98 1.70 -0.58 -1.26 -2.64 120.64 119.23 1g1r n GLU 135 Ca -0.08 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 1g1r n GLU 135 Cb 0.50 -1.70 -0.07 0.00 -0.57 0.00 0.00 31.44 29.61 1g1r n GLU 135 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1g1r s THR 136 N -1.96 0.04 -0.79 2.62 -4.23 -1.21 -4.80 115.64 105.31 1g1r s THR 136 Ca 0.62 -1.40 -0.25 0.00 -1.18 0.00 0.00 61.69 59.48 1g1r s THR 136 Cb -0.34 -1.96 -0.15 0.00 1.34 0.00 0.00 72.50 71.38 1g1r s THR 136 CO 0.61 -0.19 2.40 -0.38 -0.54 0.00 0.00 174.62 176.52 1g1r n ILE 137 N -0.27 -0.00 0.00 2.99 5.41 -1.26 -1.69 119.36 124.53 1g1r n ILE 137 Ca -0.05 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.18 1g1r n ILE 137 Cb 0.63 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 1g1r n ILE 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g1r n GLY 138 N 6.70 1.00 0.00 7.39 0.00 -0.40 -4.95 105.19 114.92 1g1r n GLY 138 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 1.61 5.15 -1.01 -4.74 115.26 116.27 1g1r n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1g1r n ASN 139 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1g1r n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g1r n TYR 140 N 0.00 0.00 -4.12 1.20 4.11 -1.26 -1.81 117.16 115.28 1g1r n TYR 140 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1g1r n TYR 140 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 1g1r n TYR 140 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1g1r s THR 141 N -2.00 0.00 0.33 -3.48 -4.23 -1.08 -4.86 115.64 100.31 1g1r s THR 141 Ca 0.00 -1.71 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 1g1r s THR 141 Cb 0.00 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 1g1r s THR 141 CO 0.00 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 173.97 1g1r n SER 143 N -0.77 1.93 0.00 0.00 7.64 0.64 -4.91 113.62 118.15 1g1r n SER 143 Ca -0.05 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1g1r n SER 143 Cb 0.62 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1g1r n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1r s TYR 145 N 0.00 2.65 -0.03 0.00 2.02 -0.49 -4.82 117.35 116.67 1g1r s TYR 145 Ca 0.00 0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 57.19 1g1r s TYR 145 Cb 0.00 -3.47 -0.08 0.00 -0.40 0.00 0.00 41.96 38.02 1g1r s TYR 145 CO 0.00 -2.13 2.05 -2.14 -1.57 0.00 0.00 175.55 171.76 1g1r s PRO 146 N -5.44 3.85 0.00 -1.71 0.02 -1.26 -2.17 135.00 128.30 1g1r s PRO 146 Ca 0.63 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.11 1g1r s PRO 146 Cb -0.13 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.17 1g1r s PRO 146 CO 0.51 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 1g1r n GLY 147 N 4.90 1.72 3.38 0.52 0.00 -1.26 -5.11 105.19 109.33 1g1r n GLY 147 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.25 2.03 0.24 1.61 0.40 -0.92 -1.78 117.98 118.31 1g1r s PHE 148 Ca 0.00 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 1g1r s PHE 148 Cb 0.00 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 1g1r s PHE 148 CO 0.00 0.43 0.41 1.52 0.70 0.00 0.00 175.22 178.28 1g1r s TYR 149 N -2.00 0.54 0.00 0.36 1.13 -1.00 -4.62 117.35 111.76 1g1r s TYR 149 Ca 0.19 -0.87 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1g1r s TYR 149 Cb -0.06 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 1g1r s TYR 149 CO 0.09 -0.93 0.00 0.41 -2.51 0.00 0.00 175.55 172.61 1g1r n GLY 150 N -0.36 3.44 0.45 5.49 0.00 -1.26 -0.20 105.19 112.74 1g1r n GLY 150 Ca -0.01 -1.76 0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 1.61 0.13 -2.01 0.37 132.00 132.09 1g1r h PRO 151 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1g1r h PRO 151 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1g1r h PRO 151 CO 0.00 0.00 -0.14 0.39 -0.23 0.00 0.00 178.00 178.02 1g1r n GLU 152 N -3.86 1.08 -3.14 0.86 1.02 -1.26 -4.11 120.64 111.23 1g1r n GLU 152 Ca 0.15 -2.38 -0.22 0.00 -0.02 0.00 0.00 57.16 54.68 1g1r n GLU 152 Cb 0.91 -1.33 0.02 0.00 -0.02 0.00 0.00 31.44 31.02 1g1r n GLU 152 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g1r n GLU 154 N -3.85 0.09 -3.42 0.00 0.00 -0.85 -4.44 120.64 108.17 1g1r n GLU 154 Ca -0.07 0.05 -0.30 0.00 0.00 0.00 0.00 57.16 56.83 1g1r n GLU 154 Cb 0.59 -1.58 -0.04 0.00 0.00 0.00 0.00 31.44 30.41 1g1r n GLU 154 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1g1r s TYR 155 N -3.04 3.46 -0.13 -1.84 2.02 0.72 -4.98 117.35 113.56 1g1r s TYR 155 Ca 0.11 0.69 0.03 0.00 -0.37 0.00 0.00 57.07 57.53 1g1r s TYR 155 Cb 0.17 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1g1r s TYR 155 CO 0.63 0.24 -0.22 0.08 -1.57 0.00 0.00 175.55 174.71 1g1r s VAL 156 N -1.94 2.05 0.42 0.71 1.01 -1.26 -2.37 120.40 119.02 1g1r s VAL 156 Ca 0.44 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1g1r s VAL 156 Cb -0.11 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1g1r s VAL 156 CO 0.27 0.55 1.01 -0.13 0.00 0.00 0.00 175.10 176.79 1g1r s ARG 157 N 0.74 4.16 -0.12 2.72 1.81 -0.74 -5.00 118.95 122.52 1g1r s ARG 157 Ca -0.09 1.35 -0.04 0.00 -1.72 0.00 0.00 55.73 55.24 1g1r s ARG 157 Cb -0.16 -2.38 -0.03 0.00 -0.45 0.00 0.00 34.95 31.92 1g1r s ARG 157 CO -0.00 -0.12 0.02 -0.51 -0.68 0.00 0.00 175.30 174.01 1g1r s ASP 158 N -1.82 5.37 0.01 0.23 1.01 -1.26 -5.00 116.67 115.20 1g1r s ASP 158 Ca 0.60 0.12 -0.05 0.00 0.71 0.00 0.00 52.55 53.94 1g1r s ASP 158 Cb -0.17 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.07 1g1r s ASP 158 CO 0.22 0.31 -0.09 0.47 0.21 0.00 0.00 175.17 176.28 1g1r n ASP 159 N 2.61 1.13 0.00 0.27 8.00 -1.26 -5.20 116.55 122.10 1g1r n ASP 159 Ca -0.18 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1g1r n ASP 159 Cb 0.53 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1g1r n ASP 159 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28