#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1q s THR 2 N 0.00 3.94 0.14 -1.67 -4.23 -0.27 0.50 115.64 114.06 1g1q s THR 2 Ca 0.00 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1g1q s THR 2 Cb 0.00 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1g1q s THR 2 CO 0.00 -0.30 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.40 1g1q s TYR 3 N -2.12 2.75 0.09 3.99 2.02 -1.26 -1.05 117.35 121.77 1g1q s TYR 3 Ca 0.31 -0.16 -0.15 0.00 -0.37 0.00 0.00 57.07 56.70 1g1q s TYR 3 Cb -0.08 -1.38 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1g1q s TYR 3 CO 0.22 0.48 0.36 -1.01 -1.57 0.00 0.00 175.55 174.02 1g1q s HIS 4 N -1.49 -0.15 -0.02 2.71 3.76 0.48 -4.95 115.29 115.62 1g1q s HIS 4 Ca 0.24 -0.08 -0.15 0.00 -0.15 0.00 0.00 55.06 54.93 1g1q s HIS 4 Cb -0.10 0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.79 1g1q s HIS 4 CO 0.16 -0.61 0.31 1.52 -0.85 0.00 0.00 174.74 175.26 1g1q s TYR 5 N -3.26 -0.19 0.32 1.40 1.13 -1.26 0.15 117.35 115.64 1g1q s TYR 5 Ca -0.00 0.31 -0.19 0.00 -1.41 0.00 0.00 57.07 55.78 1g1q s TYR 5 Cb 0.01 0.10 -0.09 0.00 -1.10 0.00 0.00 41.96 40.88 1g1q s TYR 5 CO -0.08 -0.37 0.82 -1.54 -2.51 0.00 0.00 175.55 171.87 1g1q s SER 6 N -1.21 6.98 0.00 -0.18 1.04 -0.83 -4.96 113.70 114.55 1g1q s SER 6 Ca -0.12 1.50 0.28 0.00 0.48 0.00 0.00 55.95 58.09 1g1q s SER 6 Cb -0.05 -2.46 1.14 0.00 0.10 0.00 0.00 66.02 64.75 1g1q s SER 6 CO 0.04 -0.16 1.79 0.35 0.98 0.00 0.00 173.24 176.24 1g1q n THR 7 N -0.01 0.00 -4.65 2.02 -2.24 -1.26 -4.56 114.28 103.57 1g1q n THR 7 Ca 0.03 -0.15 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1g1q n THR 7 Cb 0.52 0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.83 1g1q n THR 7 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g1q s LYS 8 N -2.22 1.44 0.17 -0.78 1.02 -1.26 -5.11 119.74 113.00 1g1q s LYS 8 Ca 0.34 -1.00 -0.19 0.00 0.02 0.00 0.00 55.97 55.14 1g1q s LYS 8 Cb 0.21 -1.59 -0.08 0.00 -0.52 0.00 0.00 37.83 35.85 1g1q s LYS 8 CO 0.41 0.40 0.65 0.00 -0.92 0.00 0.00 175.35 175.90 1g1q s ALA 9 N -0.84 3.49 0.11 5.17 0.00 -1.26 -4.50 121.76 123.93 1g1q s ALA 9 Ca 0.08 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 1g1q s ALA 9 Cb -0.09 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.30 1g1q s ALA 9 CO 0.02 0.37 0.22 0.71 0.00 0.00 0.00 175.76 177.08 1g1q s TYR 10 N -1.39 0.24 0.96 0.00 2.02 -0.39 -4.70 117.35 114.10 1g1q s TYR 10 Ca 0.38 -0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 1g1q s TYR 10 Cb -0.17 -0.06 0.10 0.00 -0.40 0.00 0.00 41.96 41.42 1g1q s TYR 10 CO 0.21 -0.60 0.71 -1.13 -1.57 0.00 0.00 175.55 173.16 1g1q n SER 11 N -0.11 -1.14 0.13 2.29 3.41 -1.25 -1.51 113.62 115.44 1g1q n SER 11 Ca -0.12 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1g1q n SER 11 Cb 0.63 -1.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 1g1q n SER 11 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1g1q h TRP 12 N -1.79 -0.71 -0.50 7.33 7.01 -0.95 -1.11 115.95 125.24 1g1q h TRP 12 Ca -0.45 0.01 0.10 0.00 2.11 0.00 0.00 58.89 60.66 1g1q h TRP 12 Cb 1.28 0.29 -0.08 0.00 -2.10 0.00 0.00 29.16 28.55 1g1q h TRP 12 CO 0.41 -0.37 -0.02 -0.91 -2.79 0.00 0.00 178.44 174.76 1g1q h ASN 13 N -0.49 -0.26 0.05 2.65 2.35 -1.91 -0.14 115.58 117.83 1g1q h ASN 13 Ca 0.02 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1g1q h ASN 13 Cb 0.50 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1g1q h ASN 13 CO -0.13 -0.09 -0.17 0.40 -1.65 0.00 0.00 177.43 175.78 1g1q h ILE 14 N 0.09 1.20 -0.59 2.81 2.04 -1.87 -2.06 117.51 119.13 1g1q h ILE 14 Ca 0.25 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1g1q h ILE 14 Cb 0.38 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1g1q h ILE 14 CO -0.44 0.28 0.16 0.28 0.00 0.00 0.00 178.15 178.43 1g1q h SER 15 N 0.23 0.88 -0.57 1.72 0.02 0.24 -0.68 113.55 115.39 1g1q h SER 15 Ca 0.04 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 1g1q h SER 15 Cb 0.45 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1g1q h SER 15 CO 0.03 0.87 0.03 -0.09 -1.14 0.00 0.00 176.83 176.54 1g1q h ARG 16 N 0.85 0.99 -0.74 3.45 2.43 -0.87 -1.43 114.38 119.06 1g1q h ARG 16 Ca 0.19 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1g1q h ARG 16 Cb 0.32 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1g1q h ARG 16 CO -0.00 0.97 0.30 0.87 -1.51 0.00 0.00 179.97 180.60 1g1q h LYS 17 N 0.88 1.09 -0.53 0.20 1.57 -1.12 0.20 116.57 118.86 1g1q h LYS 17 Ca 0.17 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1g1q h LYS 17 Cb 0.50 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1g1q h LYS 17 CO 0.02 0.88 0.34 -0.92 -0.57 0.00 0.00 179.45 179.20 1g1q h TYR 18 N 1.06 0.64 -0.44 -1.35 5.03 -0.77 0.51 116.97 121.65 1g1q h TYR 18 Ca 0.25 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.48 1g1q h TYR 18 Cb 0.19 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1g1q h TYR 18 CO 0.02 0.38 -0.11 0.00 -1.32 0.00 0.00 178.16 177.13 1g1q h GLN 20 N 0.68 0.22 0.00 0.00 4.20 -0.20 0.16 115.11 120.16 1g1q h GLN 20 Ca 0.11 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1g1q h GLN 20 Cb 0.65 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1g1q h GLN 20 CO 0.04 0.58 -0.66 -0.91 -0.67 0.00 0.00 178.83 177.21 1g1q h ASN 21 N 0.18 0.00 0.00 1.46 -0.26 -0.85 -3.35 115.58 112.76 1g1q h ASN 21 Ca 0.02 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.53 1g1q h ASN 21 Cb 0.78 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.00 1g1q h ASN 21 CO 0.06 0.66 -2.03 0.54 -1.06 0.00 0.00 177.43 175.60 1g1q n ARG 22 N -3.41 1.17 0.00 0.81 1.74 -1.10 -5.05 116.66 110.82 1g1q n ARG 22 Ca 0.00 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1g1q n ARG 22 Cb 0.74 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1g1q n ARG 22 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1g1q n TYR 23 N -2.48 0.00 -0.09 -1.55 4.01 0.54 -5.08 117.16 112.51 1g1q n TYR 23 Ca -0.21 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.43 1g1q n TYR 23 Cb 0.89 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.88 1g1q n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1g1q n THR 24 N 0.00 1.49 -3.94 -0.72 -1.04 -0.79 -4.59 114.28 104.69 1g1q n THR 24 Ca 0.00 0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 62.12 1g1q n THR 24 Cb 0.00 -2.32 0.02 0.00 -1.82 0.00 0.00 70.33 66.21 1g1q n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1g1q s ASP 25 N -6.00 0.02 0.51 8.00 -1.08 -1.11 -4.30 116.67 112.70 1g1q s ASP 25 Ca -0.27 -0.51 -0.23 0.00 -0.52 0.00 0.00 52.55 51.03 1g1q s ASP 25 Cb 0.04 0.36 -0.06 0.00 -1.46 0.00 0.00 42.92 41.81 1g1q s ASP 25 CO 0.39 -0.73 1.33 -0.76 0.52 0.00 0.00 175.17 175.92 1g1q s LEU 26 N -3.61 3.94 0.37 -1.34 1.43 -1.26 -1.39 118.68 116.81 1g1q s LEU 26 Ca 0.26 2.69 -0.27 0.00 -1.03 0.00 0.00 54.13 55.78 1g1q s LEU 26 Cb -0.02 -4.20 -0.11 0.00 0.03 0.00 0.00 46.19 41.88 1g1q s LEU 26 CO 0.03 -1.35 1.21 1.33 0.23 0.00 0.00 176.35 177.81 1g1q n VAL 27 N -0.75 2.23 -4.46 -1.59 0.24 0.15 -4.07 118.33 110.09 1g1q n VAL 27 Ca 0.09 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.55 1g1q n VAL 27 Cb 0.45 -1.45 -0.10 0.00 -1.47 0.00 0.00 33.84 31.27 1g1q n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g1q s ALA 28 N -1.15 3.11 -0.09 2.33 0.00 -1.26 -0.64 121.76 124.05 1g1q s ALA 28 Ca 0.59 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1g1q s ALA 28 Cb -0.56 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1g1q s ALA 28 CO 0.60 0.60 -0.21 0.42 0.00 0.00 0.00 175.76 177.17 1g1q s ILE 29 N -0.93 2.31 -0.17 0.00 1.01 -1.26 -5.03 121.20 117.14 1g1q s ILE 29 Ca 0.15 -0.94 0.12 0.00 0.00 0.00 0.00 60.65 59.98 1g1q s ILE 29 Cb -0.11 -1.89 -0.19 0.00 0.01 0.00 0.00 42.46 40.28 1g1q s ILE 29 CO 0.05 0.56 0.01 0.00 0.00 0.00 0.00 174.94 175.55 1g1q n GLN 30 N 3.33 1.17 -3.86 2.79 6.02 -1.26 -4.79 117.38 120.78 1g1q n GLN 30 Ca -0.18 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.74 1g1q n GLN 30 Cb 0.53 -1.42 -0.04 0.00 1.02 0.00 0.00 30.24 30.33 1g1q n GLN 30 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1g1q s ASN 31 N -5.21 -0.22 0.55 1.08 2.20 -1.26 -3.54 114.94 108.54 1g1q s ASN 31 Ca -0.12 -0.65 0.32 0.00 -0.94 0.00 0.00 52.86 51.46 1g1q s ASN 31 Cb 0.05 0.64 1.60 0.00 -2.00 0.00 0.00 41.25 41.54 1g1q s ASN 31 CO 0.63 -1.19 2.10 0.11 -2.94 0.00 0.00 177.10 175.81 1g1q h LYS 32 N 2.13 0.00 -0.28 3.55 1.79 -1.89 -2.63 116.57 119.24 1g1q h LYS 32 Ca -0.24 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 1g1q h LYS 32 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1g1q h LYS 32 CO 0.31 0.08 0.06 -0.91 -1.08 0.00 0.00 179.45 177.91 1g1q h ASN 33 N 0.00 0.42 -0.85 0.86 2.35 -1.96 -0.17 115.58 116.23 1g1q h ASN 33 Ca -0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1g1q h ASN 33 Cb 0.32 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1g1q h ASN 33 CO 0.01 0.55 0.47 -0.33 -1.65 0.00 0.00 177.43 176.48 1g1q h GLU 34 N 0.28 1.18 -0.40 0.81 5.08 -1.90 0.02 114.58 119.64 1g1q h GLU 34 Ca 0.09 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1g1q h GLU 34 Cb 0.30 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1g1q h GLU 34 CO 0.00 0.86 0.24 0.82 -1.00 0.00 0.00 179.01 179.94 1g1q h ILE 35 N 1.18 1.13 -0.56 3.13 2.04 -1.29 0.40 117.51 123.55 1g1q h ILE 35 Ca 0.30 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1g1q h ILE 35 Cb 0.02 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1g1q h ILE 35 CO -0.05 0.13 0.27 -0.78 0.00 0.00 0.00 178.15 177.72 1g1q h ASP 36 N 0.53 0.36 -0.12 1.72 1.82 0.01 -1.25 116.42 119.50 1g1q h ASP 36 Ca 0.14 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1g1q h ASP 36 Cb 0.00 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1g1q h ASP 36 CO -0.03 0.24 0.05 0.22 -1.61 0.00 0.00 179.24 178.12 1g1q h TYR 37 N 0.51 0.17 -0.73 0.28 3.20 -0.39 -2.37 116.97 117.64 1g1q h TYR 37 Ca 0.25 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1g1q h TYR 37 Cb 0.20 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1g1q h TYR 37 CO -0.11 0.25 0.48 -0.07 -1.64 0.00 0.00 178.16 177.07 1g1q h LEU 38 N 0.04 0.83 -1.81 2.82 3.38 -0.74 -1.62 115.31 118.22 1g1q h LEU 38 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1g1q h LEU 38 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1g1q h LEU 38 CO -0.00 0.60 0.10 -1.13 0.09 0.00 0.00 178.44 178.10 1g1q h ASN 39 N 0.98 0.20 0.33 -0.43 -1.24 -0.97 -2.19 115.58 112.27 1g1q h ASN 39 Ca 0.27 -0.01 -0.33 0.00 0.71 0.00 0.00 56.30 56.94 1g1q h ASN 39 Cb -0.11 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1g1q h ASN 39 CO -0.06 0.16 -1.79 0.07 -1.29 0.00 0.00 177.43 174.52 1g1q h LYS 40 N 0.24 0.16 0.00 6.67 2.10 -0.90 -3.40 116.57 121.45 1g1q h LYS 40 Ca 0.06 -0.28 -0.12 0.00 -2.00 0.00 0.00 60.65 58.31 1g1q h LYS 40 Cb -0.01 0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1g1q h LYS 40 CO -0.01 0.93 -0.58 -0.39 -2.00 0.00 0.00 179.45 177.39 1g1q h VAL 41 N 0.04 1.03 -3.59 0.07 -1.51 -1.13 -3.46 116.25 107.71 1g1q h VAL 41 Ca -0.33 -2.35 -0.52 0.00 -1.23 0.00 0.00 66.70 62.27 1g1q h VAL 41 Cb 2.02 2.44 -0.03 0.00 -2.13 0.00 0.00 31.29 33.59 1g1q h VAL 41 CO 0.10 0.57 0.28 -0.76 -1.23 0.00 0.00 177.57 176.53 1g1q s LEU 42 N -6.60 4.56 1.16 4.19 1.43 -0.84 -5.05 118.68 117.54 1g1q s LEU 42 Ca 0.03 1.74 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 1g1q s LEU 42 Cb 0.08 -3.46 0.27 0.00 0.03 0.00 0.00 46.19 43.11 1g1q s LEU 42 CO 0.75 0.08 1.06 -2.16 0.23 0.00 0.00 176.35 176.31 1g1q s PRO 43 N -0.64 -0.90 -0.18 1.29 0.04 -1.26 -4.90 135.00 128.45 1g1q s PRO 43 Ca 0.41 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.66 1g1q s PRO 43 Cb -0.24 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1g1q s PRO 43 CO 0.28 -3.59 0.34 -0.47 0.04 0.00 0.00 177.00 173.60 1g1q s TYR 44 N -2.75 3.43 -0.06 0.56 5.04 -1.26 -4.91 117.35 117.40 1g1q s TYR 44 Ca 0.68 0.61 0.02 0.00 -2.44 0.00 0.00 57.07 55.93 1g1q s TYR 44 Cb -0.17 -2.42 0.02 0.00 0.35 0.00 0.00 41.96 39.74 1g1q s TYR 44 CO 0.59 0.14 -0.10 0.71 -1.34 0.00 0.00 175.55 175.55 1g1q s TYR 45 N 0.81 1.23 -0.66 4.97 2.02 -1.26 -5.02 117.35 119.44 1g1q s TYR 45 Ca 0.18 -0.44 0.16 0.00 -0.37 0.00 0.00 57.07 56.60 1g1q s TYR 45 Cb -0.14 -0.95 0.74 0.00 -0.40 0.00 0.00 41.96 41.21 1g1q s TYR 45 CO 0.06 -0.26 1.50 -1.13 -1.57 0.00 0.00 175.55 174.15 1g1q n SER 46 N 3.94 0.34 0.03 2.29 3.41 -1.26 -0.76 113.62 121.61 1g1q n SER 46 Ca -0.23 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 1g1q n SER 46 Cb 0.51 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 63.83 1g1q n SER 46 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1g1q n SER 47 N -1.90 0.62 -0.56 4.04 7.64 -1.26 -5.06 113.62 117.14 1g1q n SER 47 Ca 0.01 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1g1q n SER 47 Cb 0.13 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1g1q n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1g1q n TYR 48 N -1.97 -1.56 -4.93 1.43 4.01 0.06 -4.69 117.16 109.51 1g1q n TYR 48 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1g1q n TYR 48 Cb 0.44 0.17 -0.15 0.00 -0.31 0.00 0.00 39.34 39.48 1g1q n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1g1q s TYR 49 N 0.00 2.16 0.24 -0.72 1.51 -1.17 -1.52 117.35 117.84 1g1q s TYR 49 Ca 0.00 -0.40 -0.26 0.00 -1.01 0.00 0.00 57.07 55.40 1g1q s TYR 49 Cb 0.00 -1.32 -0.09 0.00 -0.11 0.00 0.00 41.96 40.44 1g1q s TYR 49 CO 0.00 0.07 0.86 -1.58 -1.11 0.00 0.00 175.55 173.79 1g1q s TRP 50 N -0.74 3.83 0.22 2.71 0.23 0.28 0.53 118.94 126.01 1g1q s TRP 50 Ca 0.10 1.72 0.10 0.00 -2.03 0.00 0.00 56.10 55.99 1g1q s TRP 50 Cb -0.10 -2.85 -0.05 0.00 0.03 0.00 0.00 33.47 30.51 1g1q s TRP 50 CO 0.01 0.39 -0.18 0.96 0.96 0.00 0.00 176.95 179.09 1g1q s ILE 51 N -1.34 2.08 -0.93 2.03 -4.36 -0.34 -2.65 121.20 115.67 1g1q s ILE 51 Ca 0.42 -2.22 -0.08 0.00 -0.26 0.00 0.00 60.65 58.52 1g1q s ILE 51 Cb -0.22 -2.11 -0.13 0.00 1.25 0.00 0.00 42.46 41.25 1g1q s ILE 51 CO 0.26 -0.43 2.89 0.61 0.24 0.00 0.00 174.94 178.51 1g1q n GLY 52 N -0.30 3.51 3.02 6.27 0.00 0.19 -4.58 105.19 113.31 1g1q n GLY 52 Ca -0.08 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 1g1q n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1g1q s ILE 53 N 2.10 0.58 0.08 -0.61 2.07 -1.26 -0.68 121.20 123.47 1g1q s ILE 53 Ca 0.60 -0.58 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 1g1q s ILE 53 Cb 0.20 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1g1q s ILE 53 CO -0.03 -0.02 0.01 -0.13 -1.91 0.00 0.00 174.94 172.86 1g1q s ARG 54 N -0.67 0.72 -0.51 3.50 1.81 0.04 -4.34 118.95 119.51 1g1q s ARG 54 Ca -0.01 -1.26 -0.16 0.00 -1.72 0.00 0.00 55.73 52.58 1g1q s ARG 54 Cb -0.05 0.23 0.10 0.00 -0.45 0.00 0.00 34.95 34.78 1g1q s ARG 54 CO 0.00 -0.17 0.47 0.21 -0.68 0.00 0.00 175.30 175.13 1g1q s LYS 55 N -3.95 2.99 -0.14 3.54 2.20 -1.26 -0.36 119.74 122.77 1g1q s LYS 55 Ca 0.11 -1.49 -0.11 0.00 -0.36 0.00 0.00 55.97 54.13 1g1q s LYS 55 Cb 0.08 -4.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 1g1q s LYS 55 CO -0.07 -1.19 0.22 -0.80 -0.36 0.00 0.00 175.35 173.15 1g1q s ASN 56 N 3.10 6.41 1.50 1.43 0.01 -0.94 -4.81 114.94 121.64 1g1q s ASN 56 Ca 0.04 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 1g1q s ASN 56 Cb -0.27 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1g1q s ASN 56 CO 0.05 0.25 0.00 0.59 -1.51 0.00 0.00 177.10 176.48 1g1q n ASN 57 N 2.83 0.00 -1.10 -1.22 4.13 -1.26 0.69 115.26 119.33 1g1q n ASN 57 Ca -0.16 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.15 1g1q n ASN 57 Cb 0.53 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.85 1g1q n ASN 57 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1g1q n LYS 58 N 1.61 0.55 -3.97 3.52 4.81 -1.26 -5.03 118.16 118.38 1g1q n LYS 58 Ca 0.00 -2.37 -0.30 0.00 -0.87 0.00 0.00 58.31 54.77 1g1q n LYS 58 Cb 0.00 -0.60 -0.16 0.00 0.02 0.00 0.00 35.03 34.29 1g1q n LYS 58 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1g1q s THR 59 N -1.13 1.51 0.03 3.15 2.01 0.22 -5.10 115.64 116.32 1g1q s THR 59 Ca 0.33 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 1g1q s THR 59 Cb 0.35 -1.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.21 1g1q s THR 59 CO -0.12 0.21 1.62 0.26 -0.69 0.00 0.00 174.62 175.90 1g1q s TRP 60 N 1.46 2.37 0.02 4.92 0.52 -1.26 -2.22 118.94 124.76 1g1q s TRP 60 Ca 0.00 0.36 0.04 0.00 0.02 0.00 0.00 56.10 56.51 1g1q s TRP 60 Cb -0.15 -3.91 -0.02 0.00 -1.15 0.00 0.00 33.47 28.24 1g1q s TRP 60 CO -0.08 -3.68 -0.11 0.99 0.02 0.00 0.00 176.95 174.09 1g1q s THR 61 N 2.92 0.85 -0.15 2.01 2.01 0.52 -1.22 115.64 122.58 1g1q s THR 61 Ca 0.73 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1g1q s THR 61 Cb -0.37 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 1g1q s THR 61 CO 0.31 0.03 1.04 0.26 -0.69 0.00 0.00 174.62 175.57 1g1q s TRP 62 N -0.65 3.41 0.38 4.92 0.52 -0.23 -0.78 118.94 126.51 1g1q s TRP 62 Ca 0.01 1.50 0.17 0.00 0.02 0.00 0.00 56.10 57.81 1g1q s TRP 62 Cb -0.06 -3.24 0.96 0.00 -1.15 0.00 0.00 33.47 29.98 1g1q s TRP 62 CO 0.00 -0.44 1.92 -0.39 0.02 0.00 0.00 176.95 178.06 1g1q h VAL 63 N 5.24 1.02 0.00 4.03 -1.51 -1.24 0.31 116.25 124.09 1g1q h VAL 63 Ca -0.27 -0.97 -0.07 0.00 -1.23 0.00 0.00 66.70 64.17 1g1q h VAL 63 Cb 1.11 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1g1q h VAL 63 CO 0.91 0.26 -0.60 1.23 -1.23 0.00 0.00 177.57 178.14 1g1q h GLY 64 N 1.02 0.00 0.00 5.19 0.00 -1.80 -3.36 103.07 104.12 1g1q h GLY 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g1q h GLY 64 CO 0.03 0.00 -0.72 -1.30 0.00 0.00 0.00 176.54 174.56 1g1q n THR 65 N -3.05 0.00 -1.15 4.70 -2.24 -1.19 -5.00 114.28 106.35 1g1q n THR 65 Ca 0.00 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 1g1q n THR 65 Cb 0.67 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 1g1q n THR 65 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1g1q n LYS 66 N -1.38 -0.98 -3.17 -0.78 4.01 0.11 -4.99 118.16 110.98 1g1q n LYS 66 Ca -0.00 0.56 -0.35 0.00 -0.51 0.00 0.00 58.31 58.01 1g1q n LYS 66 Cb 0.06 -4.47 -0.06 0.00 -0.51 0.00 0.00 35.03 30.05 1g1q n LYS 66 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1g1q s LYS 67 N -1.96 4.15 0.60 1.97 1.02 -1.24 -4.78 119.74 119.51 1g1q s LYS 67 Ca 0.00 0.75 -0.16 0.00 0.02 0.00 0.00 55.97 56.58 1g1q s LYS 67 Cb 0.00 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1g1q s LYS 67 CO 0.00 0.38 1.07 0.00 -0.92 0.00 0.00 175.35 175.88 1g1q s ALA 68 N -1.58 2.69 0.29 5.17 0.00 -1.26 -1.06 121.76 126.01 1g1q s ALA 68 Ca 0.43 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1g1q s ALA 68 Cb -0.15 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1g1q s ALA 68 CO 0.20 -0.88 1.27 -1.17 0.00 0.00 0.00 175.76 175.18 1g1q s LEU 69 N -4.53 4.45 0.30 0.00 2.96 -0.36 -4.86 118.68 116.64 1g1q s LEU 69 Ca 0.64 2.53 0.09 0.00 -0.22 0.00 0.00 54.13 57.18 1g1q s LEU 69 Cb -0.17 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 1g1q s LEU 69 CO 0.37 -0.46 0.01 0.42 -1.32 0.00 0.00 176.35 175.37 1g1q s THR 70 N -0.79 3.05 0.37 3.68 -4.23 -1.26 -5.00 115.64 111.45 1g1q s THR 70 Ca 0.50 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1g1q s THR 70 Cb -0.37 -2.80 0.17 0.00 1.34 0.00 0.00 72.50 70.84 1g1q s THR 70 CO 0.47 -0.29 1.92 0.78 -0.54 0.00 0.00 174.62 176.95 1g1q h ASN 71 N 1.84 0.37 -0.77 3.99 2.35 -1.96 0.85 115.58 122.25 1g1q h ASN 71 Ca -0.43 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.27 1g1q h ASN 71 Cb 1.25 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 1g1q h ASN 71 CO 0.63 0.45 0.51 -0.33 -1.65 0.00 0.00 177.43 177.03 1g1q h GLU 72 N 0.39 0.99 0.00 0.81 3.07 -1.96 -3.14 114.58 114.73 1g1q h GLU 72 Ca 0.09 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 1g1q h GLU 72 Cb 0.29 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1g1q h GLU 72 CO 0.01 0.65 -1.30 0.00 -1.40 0.00 0.00 179.01 176.97 1g1q h ALA 73 N 1.30 0.65 -2.21 3.43 0.00 -1.51 -3.25 119.26 117.67 1g1q h ALA 73 Ca 0.29 -0.83 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 1g1q h ALA 73 Cb -0.07 0.23 0.04 0.00 0.00 0.00 0.00 17.79 17.99 1g1q h ALA 73 CO -0.08 0.92 0.96 -1.91 0.00 0.00 0.00 179.25 179.14 1g1q n GLU 74 N -2.95 2.25 -2.70 0.00 0.00 0.26 -4.86 120.64 112.65 1g1q n GLU 74 Ca -0.08 0.82 -0.07 0.00 0.00 0.00 0.00 57.16 57.83 1g1q n GLU 74 Cb 0.84 -2.64 0.05 0.00 0.00 0.00 0.00 31.44 29.69 1g1q n GLU 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1g1q n ASN 75 N 4.97 1.03 -4.75 4.31 5.15 -1.26 -4.98 115.26 119.74 1g1q n ASN 75 Ca 0.19 -2.54 -0.41 0.00 -0.60 0.00 0.00 54.58 51.22 1g1q n ASN 75 Cb 0.30 -0.32 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 1g1q n ASN 75 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1g1q s TRP 76 N -2.81 2.94 0.89 1.20 0.52 -1.26 -0.41 118.94 120.01 1g1q s TRP 76 Ca 0.26 0.99 -0.11 0.00 0.02 0.00 0.00 56.10 57.26 1g1q s TRP 76 Cb 0.43 -3.88 0.13 0.00 -1.15 0.00 0.00 33.47 28.99 1g1q s TRP 76 CO 0.01 -2.88 1.11 0.00 0.02 0.00 0.00 176.95 175.21 1g1q s ALA 77 N -0.09 1.53 0.26 0.98 0.00 -0.12 -4.63 121.76 119.69 1g1q s ALA 77 Ca 0.60 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1g1q s ALA 77 Cb -0.43 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.20 1g1q s ALA 77 CO 0.46 -2.52 1.16 -0.25 0.00 0.00 0.00 175.76 174.61 1g1q n ASP 78 N -4.05 1.79 -1.59 0.00 10.43 -1.26 -1.64 116.55 120.24 1g1q n ASP 78 Ca 0.10 1.17 -0.20 0.00 2.57 0.00 0.00 54.79 58.43 1g1q n ASP 78 Cb 0.53 -1.33 -0.08 0.00 1.84 0.00 0.00 41.12 42.09 1g1q n ASP 78 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1g1q n ASN 79 N 1.52 -5.39 -4.46 -2.24 5.03 -1.26 -4.99 115.26 103.47 1g1q n ASN 79 Ca 0.10 0.43 -0.29 0.00 0.87 0.00 0.00 54.58 55.69 1g1q n ASN 79 Cb 0.31 -4.60 -0.12 0.00 -1.02 0.00 0.00 39.78 34.35 1g1q n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1g1q s GLU 80 N -3.82 1.65 0.45 3.52 0.41 -0.65 -4.08 118.70 116.18 1g1q s GLU 80 Ca 0.00 -1.30 -0.17 0.00 -0.41 0.00 0.00 54.97 53.09 1g1q s GLU 80 Cb 0.00 -2.01 -0.09 0.00 -1.78 0.00 0.00 34.13 30.26 1g1q s GLU 80 CO 0.00 0.45 0.92 -1.25 -0.49 0.00 0.00 175.26 174.90 1g1q s PRO 81 N -2.27 4.02 -0.09 0.39 0.04 -1.26 -4.69 135.00 131.15 1g1q s PRO 81 Ca 0.18 0.92 0.13 0.00 0.04 0.00 0.00 61.00 62.27 1g1q s PRO 81 Cb -0.10 -2.21 0.23 0.00 0.04 0.00 0.00 34.50 32.47 1g1q s PRO 81 CO 0.09 -0.12 1.12 0.27 0.04 0.00 0.00 177.00 178.40 1g1q n ASN 82 N -1.12 1.37 -4.65 6.66 6.94 -1.26 -5.04 115.26 118.15 1g1q n ASN 82 Ca 0.06 -2.75 -0.31 0.00 -0.02 0.00 0.00 54.58 51.56 1g1q n ASN 82 Cb 0.54 -0.36 -0.09 0.00 -2.36 0.00 0.00 39.78 37.51 1g1q n ASN 82 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1g1q s ASN 83 N -2.25 4.87 -0.01 0.53 0.01 -1.26 -5.03 114.94 111.80 1g1q s ASN 83 Ca 0.23 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.20 1g1q s ASN 83 Cb 0.22 -1.14 -0.01 0.00 0.41 0.00 0.00 41.25 40.73 1g1q s ASN 83 CO -0.02 0.21 -0.01 2.29 -1.51 0.00 0.00 177.10 178.07 1g1q n LYS 84 N 0.87 1.64 -1.89 -0.60 2.85 -1.26 -4.97 118.16 114.81 1g1q n LYS 84 Ca -0.12 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.77 1g1q n LYS 84 Cb 0.52 -1.03 0.05 0.00 -0.65 0.00 0.00 35.03 33.92 1g1q n LYS 84 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1g1q s ARG 85 N -2.03 2.85 0.72 -1.58 0.52 -1.26 -4.98 118.95 113.18 1g1q s ARG 85 Ca -0.01 1.97 -0.12 0.00 -0.52 0.00 0.00 55.73 57.05 1g1q s ARG 85 Cb 0.00 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.56 1g1q s ARG 85 CO 0.04 -1.34 1.09 0.54 0.02 0.00 0.00 175.30 175.64 1g1q s ASN 86 N -1.43 4.91 -0.35 0.23 2.20 -1.26 -2.61 114.94 116.62 1g1q s ASN 86 Ca 0.79 1.81 0.00 0.00 -0.94 0.00 0.00 52.86 54.52 1g1q s ASN 86 Cb -0.34 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.38 1g1q s ASN 86 CO 0.37 -1.76 0.00 -3.20 -2.94 0.00 0.00 177.10 169.57 1g1q n ASN 87 N -3.10 -4.61 -0.00 3.54 5.15 -1.26 -4.79 115.26 110.18 1g1q n ASN 87 Ca 0.09 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1g1q n ASN 87 Cb 0.53 -2.40 0.00 0.00 -0.53 0.00 0.00 39.78 37.37 1g1q n ASN 87 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1g1q n GLU 88 N -1.29 2.70 -0.86 1.20 1.02 -1.07 -1.24 120.64 121.09 1g1q n GLU 88 Ca -0.03 -1.40 -0.03 0.00 -0.02 0.00 0.00 57.16 55.68 1g1q n GLU 88 Cb 0.31 -0.95 0.28 0.00 -0.02 0.00 0.00 31.44 31.06 1g1q n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1g1q n ASP 89 N -0.45 4.56 -4.82 1.62 5.75 -1.26 -3.66 116.55 118.29 1g1q n ASP 89 Ca 0.00 -2.98 -0.36 0.00 -0.01 0.00 0.00 54.79 51.44 1g1q n ASP 89 Cb 0.28 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 39.60 1g1q n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g1q s VAL 91 N -1.56 2.21 0.19 0.00 1.01 -1.26 0.35 120.40 121.34 1g1q s VAL 91 Ca 0.43 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1g1q s VAL 91 Cb -0.16 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1g1q s VAL 91 CO 0.20 0.53 0.43 -1.83 0.00 0.00 0.00 175.10 174.43 1g1q s GLU 92 N 1.22 3.60 -0.12 2.72 -1.05 -0.20 -1.20 118.70 123.67 1g1q s GLU 92 Ca 0.03 -0.12 -0.00 0.00 -0.15 0.00 0.00 54.97 54.72 1g1q s GLU 92 Cb -0.14 -2.79 -0.02 0.00 -0.44 0.00 0.00 34.13 30.74 1g1q s GLU 92 CO -0.10 0.39 -0.11 -1.50 0.95 0.00 0.00 175.26 174.88 1g1q s ILE 93 N -1.82 3.22 -1.51 1.83 2.07 0.19 -1.98 121.20 123.19 1g1q s ILE 93 Ca 0.41 -0.61 -0.12 0.00 -1.41 0.00 0.00 60.65 58.92 1g1q s ILE 93 Cb -0.11 -2.35 -0.03 0.00 0.13 0.00 0.00 42.46 40.09 1g1q s ILE 93 CO 0.27 0.53 2.58 -1.22 -1.91 0.00 0.00 174.94 175.19 1g1q n TYR 94 N 3.36 2.90 -1.68 3.50 4.01 -0.32 -3.05 117.16 125.87 1g1q n TYR 94 Ca -0.18 -2.99 -0.45 0.00 -0.16 0.00 0.00 57.90 54.12 1g1q n TYR 94 Cb 0.53 -2.49 -0.04 0.00 -0.31 0.00 0.00 39.34 37.03 1g1q n TYR 94 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1g1q n ILE 95 N 4.35 0.32 -2.58 -0.72 2.08 -1.26 -1.78 119.36 119.78 1g1q n ILE 95 Ca 0.65 -0.06 -0.17 0.00 0.56 0.00 0.00 62.75 63.73 1g1q n ILE 95 Cb 0.31 -1.89 -0.00 0.00 -0.75 0.00 0.00 39.64 37.31 1g1q n ILE 95 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1g1q n LYS 96 N 5.28 -2.47 -2.46 0.38 5.02 -1.26 -4.67 118.16 117.99 1g1q n LYS 96 Ca 0.19 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 1g1q n LYS 96 Cb 0.33 -5.40 -0.04 0.00 -0.02 0.00 0.00 35.03 29.89 1g1q n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g1q s SER 97 N -2.17 7.23 0.36 4.39 0.15 -0.92 -4.93 113.70 117.80 1g1q s SER 97 Ca 0.07 2.24 0.19 0.00 0.70 0.00 0.00 55.95 59.15 1g1q s SER 97 Cb -0.03 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.19 1g1q s SER 97 CO 0.09 -0.20 1.66 1.55 1.20 0.00 0.00 173.24 177.54 1g1q h PRO 98 N 4.25 0.00 0.02 5.44 0.13 -1.92 -3.08 132.00 136.85 1g1q h PRO 98 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 1g1q h PRO 98 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1g1q h PRO 98 CO 0.69 0.38 -1.78 -1.13 -0.23 0.00 0.00 178.00 175.92 1g1q n SER 99 N -3.39 1.05 -2.96 1.44 3.41 -1.26 -4.73 113.62 107.17 1g1q n SER 99 Ca 0.01 0.37 -0.15 0.00 -0.26 0.00 0.00 58.87 58.83 1g1q n SER 99 Cb 0.56 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1g1q n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1q n ALA 100 N -2.64 0.51 -1.65 7.33 0.00 -1.25 -5.12 120.51 117.69 1g1q n ALA 100 Ca -0.20 -2.39 -0.47 0.00 0.00 0.00 0.00 53.44 50.38 1g1q n ALA 100 Cb 1.05 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1g1q n ALA 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1g1q n PRO 101 N 1.03 1.90 -0.75 0.00 -0.04 -1.16 -2.09 135.00 133.89 1g1q n PRO 101 Ca 0.15 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1g1q n PRO 101 Cb 0.62 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1g1q n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g1q n GLY 102 N 2.98 0.39 3.85 0.55 0.00 -0.73 -4.98 105.19 107.25 1g1q n GLY 102 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1g1q n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1q s LYS 103 N -0.66 3.06 0.04 1.61 3.01 -0.89 -4.65 119.74 121.26 1g1q s LYS 103 Ca 0.00 0.75 0.04 0.00 -1.01 0.00 0.00 55.97 55.74 1g1q s LYS 103 Cb 0.00 -2.02 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 1g1q s LYS 103 CO 0.00 -0.95 -0.03 -1.58 0.51 0.00 0.00 175.35 173.29 1g1q s TRP 104 N -3.17 2.95 -0.01 3.18 0.51 0.45 -1.18 118.94 121.68 1g1q s TRP 104 Ca 0.57 -0.01 0.00 0.00 -2.12 0.00 0.00 56.10 54.54 1g1q s TRP 104 Cb -0.12 -1.59 0.01 0.00 -0.81 0.00 0.00 33.47 30.96 1g1q s TRP 104 CO 0.54 0.43 0.01 1.21 -0.51 0.00 0.00 176.95 178.63 1g1q s ASN 105 N -1.78 0.06 0.02 2.95 2.47 -0.84 -0.95 114.94 116.87 1g1q s ASN 105 Ca 0.21 0.01 -0.24 0.00 0.42 0.00 0.00 52.86 53.26 1g1q s ASN 105 Cb -0.11 -0.03 -0.05 0.00 -1.45 0.00 0.00 41.25 39.60 1g1q s ASN 105 CO 0.12 -0.04 0.71 1.51 -3.72 0.00 0.00 177.10 175.69 1g1q s ASP 106 N 0.32 7.12 0.25 -4.21 -4.77 -1.26 -1.04 116.67 113.08 1g1q s ASP 106 Ca -0.03 1.34 -0.02 0.00 -3.30 0.00 0.00 52.55 50.55 1g1q s ASP 106 Cb -0.04 -2.43 -0.03 0.00 -1.09 0.00 0.00 42.92 39.33 1g1q s ASP 106 CO -0.01 0.02 0.25 -0.70 0.70 0.00 0.00 175.17 175.43 1g1q s GLU 107 N 0.02 1.43 0.05 2.11 2.56 0.15 -4.84 118.70 120.19 1g1q s GLU 107 Ca 0.36 -1.65 -0.31 0.00 0.00 0.00 0.00 54.97 53.38 1g1q s GLU 107 Cb -0.20 0.33 -0.07 0.00 2.00 0.00 0.00 34.13 36.20 1g1q s GLU 107 CO 0.21 -0.52 1.39 -1.58 -0.56 0.00 0.00 175.26 174.20 1g1q s HIS 108 N -3.89 3.02 -0.22 5.30 5.04 -1.26 -2.61 115.29 120.66 1g1q s HIS 108 Ca 0.36 0.88 0.18 0.00 -1.54 0.00 0.00 55.06 54.93 1g1q s HIS 108 Cb 0.04 -3.67 0.96 0.00 0.04 0.00 0.00 32.58 29.95 1g1q s HIS 108 CO 0.15 -2.40 1.51 0.00 -2.34 0.00 0.00 174.74 171.66 1g1q n LEU 110 N -2.13 1.66 -4.77 0.00 4.77 -1.26 -0.55 117.00 114.71 1g1q n LEU 110 Ca -0.01 -0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 55.05 1g1q n LEU 110 Cb 0.10 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1g1q n LEU 110 CO 0.08 0.31 0.76 -0.54 -1.33 0.00 0.00 177.39 176.67 1g1q s LYS 111 N -2.50 2.97 -0.24 3.23 1.02 -0.83 -4.52 119.74 118.88 1g1q s LYS 111 Ca 0.20 1.51 -0.14 0.00 0.02 0.00 0.00 55.97 57.56 1g1q s LYS 111 Cb 0.18 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 1g1q s LYS 111 CO 0.56 -1.14 0.31 0.15 -0.92 0.00 0.00 175.35 174.31 1g1q s LYS 112 N -3.77 4.08 0.11 1.68 1.02 -1.26 -3.80 119.74 117.80 1g1q s LYS 112 Ca 0.70 -0.01 -0.00 0.00 0.02 0.00 0.00 55.97 56.67 1g1q s LYS 112 Cb -0.23 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1g1q s LYS 112 CO 0.36 -0.09 0.00 0.15 -0.92 0.00 0.00 175.35 174.85 1g1q s LYS 113 N 1.50 0.84 0.04 1.68 1.02 -0.57 -4.60 119.74 119.65 1g1q s LYS 113 Ca 0.14 -1.37 -0.30 0.00 0.02 0.00 0.00 55.97 54.45 1g1q s LYS 113 Cb -0.15 0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.20 1g1q s LYS 113 CO 0.08 -0.16 1.12 -1.01 -0.92 0.00 0.00 175.35 174.46 1g1q s HIS 114 N -3.89 3.52 0.15 3.18 3.76 -0.58 -1.26 115.29 120.18 1g1q s HIS 114 Ca 0.17 1.45 -0.31 0.00 -0.15 0.00 0.00 55.06 56.22 1g1q s HIS 114 Cb 0.07 -3.31 -0.08 0.00 1.11 0.00 0.00 32.58 30.37 1g1q s HIS 114 CO -0.03 -0.81 1.39 0.00 -0.85 0.00 0.00 174.74 174.45 1g1q s ALA 115 N 0.99 3.60 -0.23 -1.40 0.00 -1.26 -0.56 121.76 122.89 1g1q s ALA 115 Ca 0.56 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1g1q s ALA 115 Cb -0.27 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.33 1g1q s ALA 115 CO 0.29 -0.62 -0.07 -1.17 0.00 0.00 0.00 175.76 174.19 1g1q s LEU 116 N 0.75 2.99 0.40 0.00 2.96 -1.09 -1.96 118.68 122.73 1g1q s LEU 116 Ca 0.63 -0.70 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1g1q s LEU 116 Cb -0.38 -1.67 -0.08 0.00 0.50 0.00 0.00 46.19 44.57 1g1q s LEU 116 CO 0.33 -0.08 0.01 0.00 -1.32 0.00 0.00 176.35 175.28 1g1q s TYR 118 N -2.70 0.22 -0.19 0.00 1.13 -0.49 -0.38 117.35 114.94 1g1q s TYR 118 Ca 0.35 -0.28 -0.05 0.00 -1.41 0.00 0.00 57.07 55.68 1g1q s TYR 118 Cb 0.09 -0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1g1q s TYR 118 CO 0.18 -0.09 -0.00 0.99 -2.51 0.00 0.00 175.55 174.12 1g1q s THR 119 N -0.77 4.01 0.36 -3.49 2.01 -0.21 -1.88 115.64 115.67 1g1q s THR 119 Ca -0.08 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 1g1q s THR 119 Cb -0.05 -2.80 -0.11 0.00 0.01 0.00 0.00 72.50 69.54 1g1q s THR 119 CO -0.00 0.44 1.40 0.00 -0.69 0.00 0.00 174.62 175.77 1g1q s ALA 120 N 0.83 3.53 -0.14 7.40 0.00 -1.26 -1.11 121.76 131.01 1g1q s ALA 120 Ca 0.01 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.48 1g1q s ALA 120 Cb -0.14 -3.55 -0.23 0.00 0.00 0.00 0.00 23.12 19.20 1g1q s ALA 120 CO 0.02 -0.86 0.29 0.43 0.00 0.00 0.00 175.76 175.64 1g1q n SER 121 N 0.62 1.01 -4.70 0.00 7.64 -1.26 -4.84 113.62 112.08 1g1q n SER 121 Ca 0.00 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1g1q n SER 121 Cb 0.40 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1g1q n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1q s GLN 123 N 1.81 2.32 0.12 0.00 -1.52 -1.26 -5.02 119.66 116.11 1g1q s GLN 123 Ca 0.69 -1.87 -0.30 0.00 -1.95 0.00 0.00 55.36 51.94 1g1q s GLN 123 Cb -0.39 -2.19 -0.08 0.00 -0.22 0.00 0.00 33.01 30.13 1g1q s GLN 123 CO 0.31 -0.50 1.59 0.22 -0.25 0.00 0.00 175.29 176.66 1g1q h ASP 124 N 0.83 -1.25 -0.35 5.90 3.58 -2.02 -2.69 116.42 120.42 1g1q h ASP 124 Ca -0.38 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1g1q h ASP 124 Cb 1.29 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.83 1g1q h ASP 124 CO 0.57 -0.45 0.00 0.23 -2.88 0.00 0.00 179.24 176.71 1g1q n MET 125 N -5.45 3.25 -2.01 0.28 2.81 -1.26 -4.75 117.12 110.00 1g1q n MET 125 Ca -0.06 -1.86 -0.40 0.00 -1.81 0.00 0.00 57.70 53.57 1g1q n MET 125 Cb 0.37 -1.92 -0.01 0.00 -0.71 0.00 0.00 33.22 30.95 1g1q n MET 125 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1g1q s SER 126 N -0.50 6.50 -1.46 7.83 0.01 -1.02 -2.51 113.70 122.56 1g1q s SER 126 Ca 0.32 2.77 -0.00 0.00 1.31 0.00 0.00 55.95 60.35 1g1q s SER 126 Cb 0.24 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1g1q s SER 126 CO 0.10 -0.74 0.02 0.00 0.41 0.00 0.00 173.24 173.03 1g1q n SER 128 N -1.29 -3.09 -1.70 0.00 7.64 -0.95 0.22 113.62 114.45 1g1q n SER 128 Ca -0.20 0.25 -0.16 0.00 1.01 0.00 0.00 58.87 59.77 1g1q n SER 128 Cb 0.65 -2.79 -0.05 0.00 -1.01 0.00 0.00 64.21 61.01 1g1q n SER 128 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1g1q n LYS 129 N -2.31 -1.51 -0.13 1.43 3.00 -1.07 -4.76 118.16 112.80 1g1q n LYS 129 Ca -0.11 0.89 0.08 0.00 -0.00 0.00 0.00 58.31 59.16 1g1q n LYS 129 Cb 0.48 -5.26 0.11 0.00 0.00 0.00 0.00 35.03 30.36 1g1q n LYS 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1g1q n GLN 130 N -2.26 1.16 -3.80 1.64 6.02 0.13 -5.05 117.38 115.23 1g1q n GLN 130 Ca -0.16 -2.25 -0.06 0.00 -0.01 0.00 0.00 57.00 54.51 1g1q n GLN 130 Cb 0.55 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 1g1q n GLN 130 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1g1q s GLY 131 N -2.45 -0.17 -0.06 1.08 0.00 -1.11 -1.17 107.32 103.45 1g1q s GLY 131 Ca 0.25 -0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.65 1g1q s GLY 131 CO 0.02 -0.04 0.61 1.85 0.00 0.00 0.00 173.10 175.54 1g1q s GLU 132 N -3.67 4.37 -0.16 2.90 2.12 0.11 -4.87 118.70 119.50 1g1q s GLU 132 Ca 0.11 0.73 -0.20 0.00 0.36 0.00 0.00 54.97 55.97 1g1q s GLU 132 Cb -0.04 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1g1q s GLU 132 CO 0.04 0.20 0.59 0.00 -0.54 0.00 0.00 175.26 175.55 1g1q s LEU 134 N 1.45 3.03 0.11 0.00 2.96 -0.29 -4.98 118.68 120.95 1g1q s LEU 134 Ca 0.28 -0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.70 1g1q s LEU 134 Cb -0.16 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 1g1q s LEU 134 CO 0.11 0.14 0.80 -1.61 -1.32 0.00 0.00 176.35 174.47 1g1q s GLU 135 N 0.53 4.56 0.22 1.98 0.41 -1.26 -0.90 118.70 124.24 1g1q s GLU 135 Ca -0.05 1.17 0.01 0.00 -0.41 0.00 0.00 54.97 55.69 1g1q s GLU 135 Cb -0.15 -3.32 -0.00 0.00 -1.78 0.00 0.00 34.13 28.87 1g1q s GLU 135 CO 0.03 0.39 0.04 0.25 -0.49 0.00 0.00 175.26 175.48 1g1q n THR 136 N 2.30 0.00 -2.01 3.63 -2.24 -0.03 -4.80 114.28 111.13 1g1q n THR 136 Ca -0.03 -1.16 -0.41 0.00 -2.27 0.00 0.00 64.05 60.18 1g1q n THR 136 Cb 0.49 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1g1q n THR 136 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1g1q s ILE 137 N -2.12 3.42 -0.68 2.28 1.01 -1.26 -1.36 121.20 122.49 1g1q s ILE 137 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1g1q s ILE 137 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1g1q s ILE 137 CO 0.04 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 174.95 1g1q n GLY 138 N 5.56 0.86 0.00 6.18 0.00 0.18 -4.89 105.19 113.09 1g1q n GLY 138 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1g1q n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g1q n ASN 139 N 0.62 0.00 -3.66 1.61 2.85 -1.18 -4.74 115.26 110.76 1g1q n ASN 139 Ca -0.06 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.30 1g1q n ASN 139 Cb 0.24 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.20 1g1q n ASN 139 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1g1q s TYR 140 N -2.16 -0.20 0.21 1.20 1.13 -1.26 -0.85 117.35 115.43 1g1q s TYR 140 Ca 0.00 -0.04 0.05 0.00 -1.41 0.00 0.00 57.07 55.67 1g1q s TYR 140 Cb 0.00 0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 41.04 1g1q s TYR 140 CO 0.00 -0.65 -0.06 0.95 -2.51 0.00 0.00 175.55 173.27 1g1q s THR 141 N -3.41 1.31 -0.14 -3.49 -4.23 -0.07 -4.91 115.64 100.70 1g1q s THR 141 Ca 0.01 -2.09 -0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1g1q s THR 141 Cb 0.01 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 1g1q s THR 141 CO -0.09 -0.48 -0.13 0.00 -0.54 0.00 0.00 174.62 173.38 1g1q s SER 143 N 0.54 5.91 0.50 0.00 0.01 -0.55 -4.94 113.70 115.17 1g1q s SER 143 Ca -0.09 -2.04 -0.23 0.00 1.31 0.00 0.00 55.95 54.91 1g1q s SER 143 Cb -0.16 -2.07 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 1g1q s SER 143 CO 0.04 -0.70 1.30 0.00 0.41 0.00 0.00 173.24 174.29 1g1q s TYR 145 N -1.36 3.39 0.23 0.00 2.02 -0.31 -4.83 117.35 116.47 1g1q s TYR 145 Ca 0.67 1.44 -0.31 0.00 -0.37 0.00 0.00 57.07 58.51 1g1q s TYR 145 Cb -0.37 -2.82 -0.14 0.00 -0.40 0.00 0.00 41.96 38.22 1g1q s TYR 145 CO 0.45 -0.59 1.22 -2.30 -1.57 0.00 0.00 175.55 172.76 1g1q n PRO 146 N -1.92 1.55 -0.18 -1.71 -0.02 -1.26 -1.65 135.00 129.81 1g1q n PRO 146 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1g1q n PRO 146 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1g1q n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1q n GLY 147 N 1.82 0.70 3.20 -1.23 0.00 -1.26 -5.05 105.19 103.36 1g1q n GLY 147 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1g1q n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g1q s PHE 148 N -2.45 1.13 0.38 1.61 0.40 -0.66 -0.39 117.98 118.00 1g1q s PHE 148 Ca 0.00 -0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 55.53 1g1q s PHE 148 Cb 0.00 -0.61 0.05 0.00 0.51 0.00 0.00 43.02 42.97 1g1q s PHE 148 CO 0.00 0.03 0.73 1.52 0.70 0.00 0.00 175.22 178.20 1g1q s TYR 149 N -2.58 0.28 0.00 0.36 1.13 0.10 -4.60 117.35 112.04 1g1q s TYR 149 Ca 0.08 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 1g1q s TYR 149 Cb -0.02 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.51 1g1q s TYR 149 CO 0.00 -1.49 0.00 0.41 -2.51 0.00 0.00 175.55 171.96 1g1q n GLY 150 N -0.54 2.81 0.41 5.49 0.00 -1.26 -0.69 105.19 111.41 1g1q n GLY 150 Ca -0.07 -1.83 0.21 0.00 0.00 0.00 0.00 46.02 44.33 1g1q n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1q h PRO 151 N 0.00 0.18 -0.15 1.61 0.13 -2.01 0.20 132.00 131.96 1g1q h PRO 151 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1g1q h PRO 151 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1g1q h PRO 151 CO 0.00 0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.28 1g1q n GLU 152 N -4.40 2.32 -2.14 0.86 -0.58 -1.26 -4.21 120.64 111.22 1g1q n GLU 152 Ca 0.15 -2.61 -0.17 0.00 -0.42 0.00 0.00 57.16 54.11 1g1q n GLU 152 Cb 0.70 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 1g1q n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g1q n GLU 154 N -2.69 0.20 -3.51 0.00 0.00 -1.00 -4.35 120.64 109.29 1g1q n GLU 154 Ca -0.20 0.34 -0.38 0.00 0.00 0.00 0.00 57.16 56.93 1g1q n GLU 154 Cb 0.63 -1.82 -0.06 0.00 0.00 0.00 0.00 31.44 30.18 1g1q n GLU 154 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1g1q s TYR 155 N -3.23 3.62 -0.20 -1.84 2.02 0.13 -4.96 117.35 112.90 1g1q s TYR 155 Ca 0.07 0.85 -0.05 0.00 -0.37 0.00 0.00 57.07 57.57 1g1q s TYR 155 Cb 0.10 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1g1q s TYR 155 CO 0.45 0.49 -0.01 0.08 -1.57 0.00 0.00 175.55 174.99 1g1q s VAL 156 N -0.47 3.92 0.32 0.71 1.01 -1.26 -0.72 120.40 123.91 1g1q s VAL 156 Ca 0.22 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1g1q s VAL 156 Cb -0.15 -2.76 -0.11 0.00 0.00 0.00 0.00 36.38 33.36 1g1q s VAL 156 CO 0.10 0.44 1.47 -0.13 0.00 0.00 0.00 175.10 176.97 1g1q s ARG 157 N 0.94 4.19 0.01 2.72 1.81 0.48 -4.94 118.95 124.14 1g1q s ARG 157 Ca 0.01 2.45 -0.21 0.00 -1.72 0.00 0.00 55.73 56.27 1g1q s ARG 157 Cb -0.14 -3.03 -0.20 0.00 -0.45 0.00 0.00 34.95 31.13 1g1q s ARG 157 CO 0.02 -0.47 1.16 -0.44 -0.68 0.00 0.00 175.30 174.89 1g1q h ASP 158 N 3.88 0.44 -4.73 0.23 5.19 -1.98 -3.47 116.42 115.97 1g1q h ASP 158 Ca -0.49 -0.68 -0.29 0.00 -0.62 0.00 0.00 57.03 54.95 1g1q h ASP 158 Cb 1.23 -0.13 -0.15 0.00 0.18 0.00 0.00 39.33 40.46 1g1q h ASP 158 CO 0.70 1.05 -0.64 -1.81 -3.12 0.00 0.00 179.24 175.43 1g1q s ASP 159 N -6.49 0.99 0.00 6.45 1.11 -1.26 -5.24 116.67 112.22 1g1q s ASP 159 Ca -0.14 -1.26 0.00 0.00 0.18 0.00 0.00 52.55 51.33 1g1q s ASP 159 Cb 0.04 0.18 0.00 0.00 1.07 0.00 0.00 42.92 44.20 1g1q s ASP 159 CO 0.79 -0.66 0.00 0.47 1.18 0.00 0.00 175.17 176.94