#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 4.92 0.09 -1.67 -4.23 -0.04 0.11 115.64 114.82 1g1q s THR 2 Ca 0.00 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1g1q s THR 2 Cb 0.00 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1g1q s THR 2 CO 0.00 0.05 0.09 -0.31 -0.54 0.00 0.00 174.62 173.92 1g1q s TYR 3 N -1.55 3.20 0.06 3.99 2.02 -1.26 -0.31 117.35 123.50 1g1q s TYR 3 Ca 0.32 0.07 -0.15 0.00 -0.37 0.00 0.00 57.07 56.95 1g1q s TYR 3 Cb -0.12 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1g1q s TYR 3 CO 0.25 0.52 0.33 -1.01 -1.57 0.00 0.00 175.55 174.07 1g1q s HIS 4 N -1.45 -0.13 -0.01 2.71 3.76 0.04 -4.94 115.29 115.27 1g1q s HIS 4 Ca 0.30 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 55.05 1g1q s HIS 4 Cb -0.12 0.13 0.02 0.00 1.11 0.00 0.00 32.58 33.72 1g1q s HIS 4 CO 0.22 -0.55 0.24 1.52 -0.85 0.00 0.00 174.74 175.33 1g1q s TYR 5 N -2.81 -0.11 0.14 1.40 1.13 -1.26 0.68 117.35 116.52 1g1q s TYR 5 Ca -0.03 0.15 -0.19 0.00 -1.41 0.00 0.00 57.07 55.59 1g1q s TYR 5 Cb 0.00 0.04 -0.07 0.00 -1.10 0.00 0.00 41.96 40.83 1g1q s TYR 5 CO -0.05 -0.34 0.62 -1.54 -2.51 0.00 0.00 175.55 171.74 1g1q s SER 6 N -1.26 7.03 0.00 -0.18 1.04 -0.84 -4.97 113.70 114.52 1g1q s SER 6 Ca -0.13 1.29 0.28 0.00 0.48 0.00 0.00 55.95 57.86 1g1q s SER 6 Cb -0.06 -2.37 1.65 0.00 0.10 0.00 0.00 66.02 65.34 1g1q s SER 6 CO 0.03 0.16 2.03 0.35 0.98 0.00 0.00 173.24 176.79 1g1q n THR 7 N 1.21 0.00 -4.35 2.02 -2.24 -1.26 -4.39 114.28 105.26 1g1q n THR 7 Ca -0.07 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 1g1q n THR 7 Cb 0.51 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.00 1.28 0.03 -0.78 1.02 -1.26 -5.09 119.74 112.94 1g1q s LYS 8 Ca 0.41 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.97 1g1q s LYS 8 Cb 0.19 -1.67 -0.06 0.00 -0.52 0.00 0.00 37.83 35.77 1g1q s LYS 8 CO 0.32 0.39 0.49 0.00 -0.92 0.00 0.00 175.35 175.63 1g1q s ALA 9 N -1.10 3.65 0.25 5.17 0.00 -1.26 -4.30 121.76 124.16 1g1q s ALA 9 Ca 0.11 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.88 1g1q s ALA 9 Cb -0.10 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 1g1q s ALA 9 CO 0.05 0.44 0.40 0.71 0.00 0.00 0.00 175.76 177.36 1g1q s TYR 10 N -1.09 0.63 0.83 0.00 2.02 0.14 -4.60 117.35 115.29 1g1q s TYR 10 Ca 0.26 -0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 55.91 1g1q s TYR 10 Cb -0.18 -0.01 0.09 0.00 -0.40 0.00 0.00 41.96 41.47 1g1q s TYR 10 CO 0.16 -0.94 1.10 -1.54 -1.57 0.00 0.00 175.55 172.76 1g1q s SER 11 N -3.08 3.92 0.15 2.29 1.04 -1.25 -0.57 113.70 116.20 1g1q s SER 11 Ca 0.27 1.78 -0.26 0.00 0.48 0.00 0.00 55.95 58.23 1g1q s SER 11 Cb 0.01 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1g1q s SER 11 CO 0.11 -2.40 1.60 -0.25 0.98 0.00 0.00 173.24 173.28 1g1q h TRP 12 N -1.38 -0.98 -0.75 5.02 7.01 -1.63 0.20 115.95 123.43 1g1q h TRP 12 Ca -0.45 0.05 0.11 0.00 2.11 0.00 0.00 58.89 60.71 1g1q h TRP 12 Cb 1.25 0.46 -0.08 0.00 -2.10 0.00 0.00 29.16 28.70 1g1q h TRP 12 CO 0.52 -0.41 0.36 -0.91 -2.79 0.00 0.00 178.44 175.22 1g1q h ASN 13 N -0.36 0.45 0.51 2.65 2.35 -1.92 0.44 115.58 119.71 1g1q h ASN 13 Ca 0.12 0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1g1q h ASN 13 Cb 0.56 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1g1q h ASN 13 CO -0.44 0.23 -0.67 0.40 -1.65 0.00 0.00 177.43 175.30 1g1q h ILE 14 N 0.58 1.44 -0.31 2.81 2.04 -1.77 -2.61 117.51 119.69 1g1q h ILE 14 Ca 0.39 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 1g1q h ILE 14 Cb 0.48 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1g1q h ILE 14 CO -0.31 0.64 -0.01 0.28 0.00 0.00 0.00 178.15 178.74 1g1q h SER 15 N 0.10 0.55 0.49 1.72 0.02 0.12 -1.00 113.55 115.55 1g1q h SER 15 Ca -0.01 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1g1q h SER 15 Cb 1.19 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1g1q h SER 15 CO 0.10 0.73 -0.22 -0.09 -1.14 0.00 0.00 176.83 176.21 1g1q h ARG 16 N 0.35 0.00 -0.02 3.45 2.43 -0.16 -1.82 114.38 118.62 1g1q h ARG 16 Ca 0.09 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 1g1q h ARG 16 Cb 0.46 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1g1q h ARG 16 CO 0.02 0.22 -0.65 0.87 -1.51 0.00 0.00 179.97 178.91 1g1q h LYS 17 N 0.00 0.47 -0.35 0.20 1.57 -1.21 -2.34 116.57 114.92 1g1q h LYS 17 Ca -0.00 -0.49 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1g1q h LYS 17 Cb 0.52 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 1g1q h LYS 17 CO 0.03 1.13 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.96 1g1q h TYR 18 N 0.01 -0.38 -0.62 -1.35 5.03 -0.83 -0.20 116.97 118.63 1g1q h TYR 18 Ca -0.08 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 1g1q h TYR 18 Cb 1.35 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 39.82 1g1q h TYR 18 CO 0.13 -0.23 0.34 0.00 -1.32 0.00 0.00 178.16 177.08 1g1q h GLN 20 N 0.84 0.34 0.00 0.00 4.20 -0.82 0.78 115.11 120.45 1g1q h GLN 20 Ca 0.22 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1g1q h GLN 20 Cb 0.04 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1g1q h GLN 20 CO -0.04 0.79 -0.36 -0.91 -0.67 0.00 0.00 178.83 177.64 1g1q h ASN 21 N 0.27 0.00 0.00 1.46 -0.26 -0.97 -3.34 115.58 112.75 1g1q h ASN 21 Ca 0.01 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.54 1g1q h ASN 21 Cb 1.01 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.24 1g1q h ASN 21 CO 0.09 0.36 -1.77 0.54 -1.06 0.00 0.00 177.43 175.59 1g1q n ARG 22 N -3.67 0.91 0.00 0.81 1.74 -1.12 -5.08 116.66 110.25 1g1q n ARG 22 Ca -0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1g1q n ARG 22 Cb 0.46 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.75 0.00 -0.12 -1.55 4.01 0.27 -5.09 117.16 111.93 1g1q n TYR 23 Ca -0.22 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.29 1g1q n TYR 23 Cb 0.79 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.73 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 1.52 -3.90 -0.72 -1.04 -0.49 -4.57 114.28 105.07 1g1q n THR 24 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1g1q n THR 24 Cb 0.00 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 1g1q n THR 24 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1g1q n ASP 25 N -4.35 -0.13 -4.71 8.00 -0.08 -1.18 -4.41 116.55 109.68 1g1q n ASP 25 Ca -0.39 -1.02 -0.42 0.00 -1.51 0.00 0.00 54.79 51.45 1g1q n ASP 25 Cb 0.73 0.20 -0.03 0.00 2.34 0.00 0.00 41.12 44.36 1g1q n ASP 25 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1g1q s LEU 26 N 0.00 4.36 0.03 -2.67 1.43 -1.26 -2.15 118.68 118.41 1g1q s LEU 26 Ca 0.04 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 1g1q s LEU 26 Cb -0.00 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.49 1g1q s LEU 26 CO -0.00 -0.55 0.77 1.33 0.23 0.00 0.00 176.35 178.13 1g1q n VAL 27 N 4.08 0.28 -4.07 -1.59 0.24 0.23 -3.67 118.33 113.83 1g1q n VAL 27 Ca 0.10 -0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 62.03 1g1q n VAL 27 Cb 0.45 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 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 -0.14 3.53 -0.04 2.33 0.00 -1.26 -1.00 121.76 125.18 1g1q s ALA 28 Ca 0.68 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1g1q s ALA 28 Cb -0.96 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 1g1q s ALA 28 CO 0.45 0.74 -0.20 0.42 0.00 0.00 0.00 175.76 177.16 1g1q s ILE 29 N -1.36 1.68 -0.05 0.00 1.01 -1.26 -5.03 121.20 116.19 1g1q s ILE 29 Ca 0.28 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1g1q s ILE 29 Cb -0.12 -1.43 -0.12 0.00 0.01 0.00 0.00 42.46 40.80 1g1q s ILE 29 CO 0.21 0.48 0.10 0.00 0.00 0.00 0.00 174.94 175.72 1g1q n GLN 30 N 2.99 1.63 -3.86 2.79 6.02 -1.26 -4.75 117.38 120.94 1g1q n GLN 30 Ca -0.17 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.68 1g1q n GLN 30 Cb 0.53 -1.22 0.01 0.00 1.02 0.00 0.00 30.24 30.57 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 -3.64 0.11 0.33 1.08 2.20 -1.26 -3.70 114.94 110.06 1g1q s ASN 31 Ca -0.04 -1.14 0.14 0.00 -0.94 0.00 0.00 52.86 50.87 1g1q s ASN 31 Cb 0.04 0.81 0.58 0.00 -2.00 0.00 0.00 41.25 40.68 1g1q s ASN 31 CO 0.37 -1.59 1.72 0.11 -2.94 0.00 0.00 177.10 174.76 1g1q h LYS 32 N 2.02 0.00 -0.57 3.55 1.79 -1.91 -3.14 116.57 118.32 1g1q h LYS 32 Ca -0.30 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1g1q h LYS 32 Cb 1.25 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.86 1g1q h LYS 32 CO 0.39 0.47 0.35 -0.91 -1.08 0.00 0.00 179.45 178.67 1g1q h ASN 33 N 0.00 0.57 -0.16 0.86 2.35 -1.96 0.85 115.58 118.09 1g1q h ASN 33 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1g1q h ASN 33 Cb 0.89 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 1g1q h ASN 33 CO 0.06 0.40 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.88 1g1q h GLU 34 N 0.69 0.44 -0.30 0.81 5.08 -1.97 0.30 114.58 119.63 1g1q h GLU 34 Ca 0.23 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1g1q h GLU 34 Cb 0.01 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1g1q h GLU 34 CO -0.09 0.50 -0.30 0.82 -1.00 0.00 0.00 179.01 178.93 1g1q h ILE 35 N 0.42 1.30 -1.00 3.13 2.04 -1.25 0.10 117.51 122.25 1g1q h ILE 35 Ca 0.09 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.49 1g1q h ILE 35 Cb 0.34 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1g1q h ILE 35 CO 0.01 0.47 0.65 -0.78 0.00 0.00 0.00 178.15 178.51 1g1q h ASP 36 N 0.49 1.15 0.45 1.72 1.82 0.20 -0.02 116.42 122.22 1g1q h ASP 36 Ca 0.05 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1g1q h ASP 36 Cb 0.88 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1g1q h ASP 36 CO 0.07 0.84 -0.21 0.22 -1.61 0.00 0.00 179.24 178.55 1g1q h TYR 37 N 1.35 -0.56 -0.38 0.28 3.20 -0.15 -1.89 116.97 118.82 1g1q h TYR 37 Ca 0.36 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.30 1g1q h TYR 37 Cb -0.14 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 1g1q h TYR 37 CO 0.00 -0.24 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.15 1g1q h LEU 38 N -0.86 -0.29 -1.33 2.82 3.38 -0.72 -0.03 115.31 118.28 1g1q h LEU 38 Ca -0.06 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1g1q h LEU 38 Cb 0.57 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1g1q h LEU 38 CO 0.10 -0.10 0.50 -1.13 0.09 0.00 0.00 178.44 177.91 1g1q h ASN 39 N 0.03 0.71 0.92 -0.43 -1.24 -0.93 -1.95 115.58 112.70 1g1q h ASN 39 Ca 0.19 0.01 -0.18 0.00 0.71 0.00 0.00 56.30 57.03 1g1q h ASN 39 Cb 0.28 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1g1q h ASN 39 CO -0.37 0.46 -1.16 0.07 -1.29 0.00 0.00 177.43 175.14 1g1q h LYS 40 N 0.81 0.00 0.03 6.67 2.10 -0.46 -3.39 116.57 122.33 1g1q h LYS 40 Ca 0.33 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.75 1g1q h LYS 40 Cb 0.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 1g1q h LYS 40 CO -0.12 0.47 -1.17 -0.39 -2.00 0.00 0.00 179.45 176.24 1g1q h VAL 41 N 0.00 1.53 -4.01 0.07 -1.51 -0.63 -3.47 116.25 108.23 1g1q h VAL 41 Ca -0.12 -3.22 -0.47 0.00 -1.23 0.00 0.00 66.70 61.66 1g1q h VAL 41 Cb 1.62 2.80 0.01 0.00 -2.13 0.00 0.00 31.29 33.59 1g1q h VAL 41 CO 0.07 0.89 0.38 -0.76 -1.23 0.00 0.00 177.57 176.91 1g1q s LEU 42 N -6.73 4.03 0.86 4.19 1.43 -0.77 -5.05 118.68 116.64 1g1q s LEU 42 Ca -0.01 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1g1q s LEU 42 Cb 0.09 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 42.06 1g1q s LEU 42 CO 0.83 -0.48 1.13 -2.16 0.23 0.00 0.00 176.35 175.91 1g1q s PRO 43 N -2.81 1.59 -0.01 1.29 0.04 -1.26 -4.91 135.00 128.93 1g1q s PRO 43 Ca 0.60 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.78 1g1q s PRO 43 Cb -0.17 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1g1q s PRO 43 CO 0.21 -1.90 0.65 -0.47 0.04 0.00 0.00 177.00 175.53 1g1q s TYR 44 N -3.30 3.67 -0.05 0.56 5.04 -1.26 -4.92 117.35 117.09 1g1q s TYR 44 Ca 0.62 1.26 -0.00 0.00 -2.44 0.00 0.00 57.07 56.52 1g1q s TYR 44 Cb -0.14 -2.70 0.03 0.00 0.35 0.00 0.00 41.96 39.50 1g1q s TYR 44 CO 0.53 0.27 -0.01 0.71 -1.34 0.00 0.00 175.55 175.71 1g1q s TYR 45 N 0.07 0.56 0.59 4.97 2.02 -1.26 -5.05 117.35 119.25 1g1q s TYR 45 Ca 0.34 -0.11 0.35 0.00 -0.37 0.00 0.00 57.07 57.28 1g1q s TYR 45 Cb -0.19 -0.62 2.00 0.00 -0.40 0.00 0.00 41.96 42.76 1g1q s TYR 45 CO 0.18 -0.21 2.28 0.66 -1.57 0.00 0.00 175.55 176.89 1g1q h SER 46 N 7.60 0.00 0.19 2.29 4.64 -1.97 -0.44 113.55 125.86 1g1q h SER 46 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1g1q h SER 46 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1g1q h SER 46 CO 0.39 0.01 -0.20 -1.54 -0.87 0.00 0.00 176.83 174.62 1g1q n SER 47 N -3.55 1.12 -0.05 4.97 3.41 -1.26 -5.05 113.62 113.21 1g1q n SER 47 Ca -0.03 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1g1q n SER 47 Cb 0.10 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1g1q n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1g1q n TYR 48 N -0.48 -0.93 -4.29 7.33 4.01 -0.18 -4.70 117.16 117.92 1g1q n TYR 48 Ca 0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.67 1g1q n TYR 48 Cb 0.35 0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 39.44 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 1.67 -0.10 -0.72 1.51 -1.22 -2.05 117.35 116.43 1g1q s TYR 49 Ca 0.00 -0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 55.38 1g1q s TYR 49 Cb 0.00 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1g1q s TYR 49 CO 0.00 0.24 0.58 -1.58 -1.11 0.00 0.00 175.55 173.67 1g1q s TRP 50 N -1.83 3.53 0.08 2.71 0.23 -0.53 -1.17 118.94 121.95 1g1q s TRP 50 Ca 0.11 1.03 0.06 0.00 -2.03 0.00 0.00 56.10 55.27 1g1q s TRP 50 Cb -0.07 -2.67 -0.04 0.00 0.03 0.00 0.00 33.47 30.73 1g1q s TRP 50 CO 0.05 0.11 -0.10 0.96 0.96 0.00 0.00 176.95 178.93 1g1q s ILE 51 N 0.80 3.37 -1.12 2.03 -4.36 -0.87 -2.78 121.20 118.26 1g1q s ILE 51 Ca 0.31 -1.15 -0.08 0.00 -0.26 0.00 0.00 60.65 59.47 1g1q s ILE 51 Cb -0.16 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.95 1g1q s ILE 51 CO 0.13 0.20 2.35 0.61 0.24 0.00 0.00 174.94 178.47 1g1q n GLY 52 N 0.98 3.44 3.02 6.27 0.00 -0.17 -4.54 105.19 114.20 1g1q n GLY 52 Ca -0.14 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 3.11 0.79 0.10 -0.61 2.07 -1.26 -1.44 121.20 123.96 1g1q s ILE 53 Ca 0.49 -0.39 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 1g1q s ILE 53 Cb 0.13 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.99 1g1q s ILE 53 CO -0.04 0.24 -0.07 -0.13 -1.91 0.00 0.00 174.94 173.03 1g1q s ARG 54 N 0.01 0.85 0.32 3.50 1.81 -0.62 -4.25 118.95 120.57 1g1q s ARG 54 Ca -0.00 -1.34 0.07 0.00 -1.72 0.00 0.00 55.73 52.74 1g1q s ARG 54 Cb -0.07 -0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.19 1g1q s ARG 54 CO 0.00 -0.01 0.37 0.21 -0.68 0.00 0.00 175.30 175.19 1g1q s LYS 55 N -3.83 2.97 0.00 3.54 2.20 -1.26 -0.93 119.74 122.43 1g1q s LYS 55 Ca 0.12 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1g1q s LYS 55 Cb 0.05 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1g1q s LYS 55 CO -0.04 0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.34 1g1q n ASN 56 N -1.49 0.00 -3.63 1.43 0.23 -1.24 -4.97 115.26 105.59 1g1q n ASN 56 Ca -0.02 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.82 1g1q n ASN 56 Cb 0.59 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.34 1g1q n ASN 56 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1g1q n ASN 57 N 0.00 -1.94 0.00 0.53 0.23 -1.26 -2.17 115.26 110.65 1g1q n ASN 57 Ca 0.00 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.31 1g1q n ASN 57 Cb 0.00 -4.42 0.00 0.00 -2.08 0.00 0.00 39.78 33.28 1g1q n ASN 57 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1g1q n LYS 58 N -4.29 -1.24 -4.06 -3.83 4.01 -1.26 -4.94 118.16 102.54 1g1q n LYS 58 Ca -0.26 0.28 -0.33 0.00 -0.51 0.00 0.00 58.31 57.49 1g1q n LYS 58 Cb 0.66 -4.52 -0.15 0.00 -0.51 0.00 0.00 35.03 30.51 1g1q n LYS 58 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1g1q s THR 59 N -0.90 2.26 0.24 -0.18 2.01 -0.92 -5.10 115.64 113.04 1g1q s THR 59 Ca 0.00 -1.35 -0.30 0.00 0.31 0.00 0.00 61.69 60.35 1g1q s THR 59 Cb 0.00 -2.20 -0.09 0.00 0.01 0.00 0.00 72.50 70.22 1g1q s THR 59 CO 0.00 0.16 1.30 0.26 -0.69 0.00 0.00 174.62 175.65 1g1q s TRP 60 N 1.19 3.22 0.02 4.92 0.52 -1.26 -3.61 118.94 123.94 1g1q s TRP 60 Ca -0.04 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.37 1g1q s TRP 60 Cb -0.18 -3.61 -0.02 0.00 -1.15 0.00 0.00 33.47 28.51 1g1q s TRP 60 CO -0.07 -1.84 -0.04 0.99 0.02 0.00 0.00 176.95 176.01 1g1q s THR 61 N -0.25 0.21 -0.40 2.01 2.01 -0.10 -1.47 115.64 117.65 1g1q s THR 61 Ca 0.54 -0.86 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 1g1q s THR 61 Cb -0.37 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1g1q s THR 61 CO 0.42 -0.42 0.89 0.26 -0.69 0.00 0.00 174.62 175.08 1g1q s TRP 62 N -1.29 3.04 0.47 4.92 0.52 0.13 -1.59 118.94 125.14 1g1q s TRP 62 Ca -0.13 0.59 0.22 0.00 0.02 0.00 0.00 56.10 56.80 1g1q s TRP 62 Cb -0.09 -3.68 1.23 0.00 -1.15 0.00 0.00 33.47 29.78 1g1q s TRP 62 CO -0.01 -0.89 1.91 -0.39 0.02 0.00 0.00 176.95 177.59 1g1q h VAL 63 N 5.88 0.69 0.11 4.03 -1.51 -1.58 0.54 116.25 124.42 1g1q h VAL 63 Ca -0.24 -0.08 -0.31 0.00 -1.23 0.00 0.00 66.70 64.85 1g1q h VAL 63 Cb 1.08 0.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1g1q h VAL 63 CO 0.98 0.04 -1.56 1.23 -1.23 0.00 0.00 177.57 177.03 1g1q h GLY 64 N 0.23 0.27 -1.03 5.19 0.00 -1.79 -3.37 103.07 102.57 1g1q h GLY 64 Ca 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1g1q h GLY 64 CO -0.09 0.60 -0.26 -1.30 0.00 0.00 0.00 176.54 175.49 1g1q n THR 65 N -3.43 0.00 -1.91 4.70 -2.24 -1.08 -4.98 114.28 105.34 1g1q n THR 65 Ca -0.17 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1g1q n THR 65 Cb 1.04 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 70.50 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 0.25 -1.66 -3.64 -0.78 5.02 0.19 -4.95 118.16 112.58 1g1q n LYS 66 Ca 0.09 0.84 -0.35 0.00 -2.02 0.00 0.00 58.31 56.86 1g1q n LYS 66 Cb 0.41 -5.28 -0.05 0.00 -0.02 0.00 0.00 35.03 30.08 1g1q n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1g1q s LYS 67 N -4.12 3.70 0.64 1.97 1.02 -1.23 -4.80 119.74 116.91 1g1q s LYS 67 Ca 0.00 0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.95 1g1q s LYS 67 Cb 0.00 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1g1q s LYS 67 CO 0.00 0.61 1.05 0.00 -0.92 0.00 0.00 175.35 176.09 1g1q s ALA 68 N -1.33 2.76 0.32 5.17 0.00 -1.26 -0.70 121.76 126.73 1g1q s ALA 68 Ca 0.30 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1g1q s ALA 68 Cb -0.14 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1g1q s ALA 68 CO 0.17 -0.95 1.32 -1.17 0.00 0.00 0.00 175.76 175.13 1g1q s LEU 69 N -5.00 4.42 0.42 0.00 2.96 -0.54 -4.85 118.68 116.08 1g1q s LEU 69 Ca 0.60 2.69 0.07 0.00 -0.22 0.00 0.00 54.13 57.27 1g1q s LEU 69 Cb -0.14 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1g1q s LEU 69 CO 0.46 -0.56 0.22 0.42 -1.32 0.00 0.00 176.35 175.57 1g1q s THR 70 N -1.03 2.32 0.20 3.68 -4.23 -1.26 -5.01 115.64 110.31 1g1q s THR 70 Ca 0.50 -1.64 0.12 0.00 -1.18 0.00 0.00 61.69 59.49 1g1q s THR 70 Cb -0.40 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1g1q s THR 70 CO 0.52 0.00 1.58 0.78 -0.54 0.00 0.00 174.62 176.97 1g1q h ASN 71 N 1.34 0.00 -0.58 3.99 2.35 -1.96 -1.02 115.58 119.69 1g1q h ASN 71 Ca -0.42 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 1g1q h ASN 71 Cb 1.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.60 1g1q h ASN 71 CO 0.68 0.61 0.31 -0.33 -1.65 0.00 0.00 177.43 177.04 1g1q h GLU 72 N 0.00 0.82 0.13 0.81 3.07 -1.96 -3.19 114.58 114.26 1g1q h GLU 72 Ca -0.01 -0.11 -0.30 0.00 -0.50 0.00 0.00 59.36 58.45 1g1q h GLU 72 Cb 1.16 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1g1q h GLU 72 CO 0.08 0.64 -1.45 0.00 -1.40 0.00 0.00 179.01 176.89 1g1q h ALA 73 N 1.14 0.20 -1.76 3.43 0.00 -1.62 -3.27 119.26 117.37 1g1q h ALA 73 Ca 0.20 -1.03 -0.68 0.00 0.00 0.00 0.00 54.91 53.40 1g1q h ALA 73 Cb 0.07 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1g1q h ALA 73 CO -0.03 1.07 0.89 -1.91 0.00 0.00 0.00 179.25 179.27 1g1q n GLU 74 N -3.49 1.53 -2.75 0.00 0.00 -0.39 -4.88 120.64 110.65 1g1q n GLU 74 Ca -0.14 0.56 -0.04 0.00 0.00 0.00 0.00 57.16 57.54 1g1q n GLU 74 Cb 1.04 -2.29 0.05 0.00 0.00 0.00 0.00 31.44 30.25 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 5.18 1.03 -4.78 4.31 5.15 -1.26 -4.98 115.26 119.91 1g1q n ASN 75 Ca 0.23 -2.31 -0.41 0.00 -0.60 0.00 0.00 54.58 51.50 1g1q n ASN 75 Cb 0.20 -0.30 -0.00 0.00 -0.53 0.00 0.00 39.78 39.15 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 -2.96 2.58 0.80 1.20 0.52 -1.26 -1.16 118.94 118.66 1g1q s TRP 76 Ca 0.25 1.17 -0.11 0.00 0.02 0.00 0.00 56.10 57.43 1g1q s TRP 76 Cb 0.39 -4.02 0.07 0.00 -1.15 0.00 0.00 33.47 28.76 1g1q s TRP 76 CO -0.02 -2.99 1.09 0.00 0.02 0.00 0.00 176.95 175.04 1g1q s ALA 77 N -1.12 2.10 0.33 0.98 0.00 -0.51 -4.64 121.76 118.89 1g1q s ALA 77 Ca 0.53 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1g1q s ALA 77 Cb -0.46 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 1g1q s ALA 77 CO 0.63 -1.86 1.47 -0.25 0.00 0.00 0.00 175.76 175.75 1g1q n ASP 78 N -3.56 3.49 -0.74 0.00 8.00 -1.26 -2.45 116.55 120.03 1g1q n ASP 78 Ca 0.08 1.19 -0.06 0.00 0.71 0.00 0.00 54.79 56.71 1g1q n ASP 78 Cb 0.54 -1.56 -0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1g1q n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g1q n ASN 79 N 1.25 -2.49 -4.02 -2.24 5.03 -1.26 -5.04 115.26 106.48 1g1q n ASN 79 Ca 0.05 -0.01 -0.08 0.00 0.87 0.00 0.00 54.58 55.41 1g1q n ASN 79 Cb 0.37 -1.80 -0.09 0.00 -1.02 0.00 0.00 39.78 37.24 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 -4.37 0.70 0.27 3.52 0.41 -1.02 -4.31 118.70 113.91 1g1q s GLU 80 Ca 0.01 -1.14 -0.29 0.00 -0.41 0.00 0.00 54.97 53.14 1g1q s GLU 80 Cb -0.00 0.25 -0.09 0.00 -1.78 0.00 0.00 34.13 32.51 1g1q s GLU 80 CO 0.01 -0.17 0.95 -1.25 -0.49 0.00 0.00 175.26 174.32 1g1q s PRO 81 N -3.91 4.74 0.00 0.39 0.04 -1.26 -4.75 135.00 130.25 1g1q s PRO 81 Ca 0.07 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1g1q s PRO 81 Cb 0.07 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1g1q s PRO 81 CO -0.10 0.41 0.92 0.27 0.04 0.00 0.00 177.00 178.54 1g1q n ASN 82 N 1.13 1.80 -4.88 6.66 6.94 -1.26 -5.03 115.26 120.62 1g1q n ASN 82 Ca -0.01 -1.84 -0.30 0.00 -0.02 0.00 0.00 54.58 52.42 1g1q n ASN 82 Cb 0.48 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.87 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 -0.84 6.50 0.00 0.53 0.01 -1.26 -4.99 114.94 114.89 1g1q s ASN 83 Ca 0.00 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 1g1q s ASN 83 Cb 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.40 1g1q s ASN 83 CO 0.00 -0.32 0.00 2.29 -1.51 0.00 0.00 177.10 177.56 1g1q n LYS 84 N -1.15 2.34 -0.45 -0.60 2.85 -1.26 -5.03 118.16 114.87 1g1q n LYS 84 Ca 0.01 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.98 1g1q n LYS 84 Cb 0.54 -0.84 0.26 0.00 -0.65 0.00 0.00 35.03 34.34 1g1q n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1g1q n ARG 85 N -1.63 -2.84 -2.67 -1.58 1.74 -1.26 -5.00 116.66 103.42 1g1q n ARG 85 Ca 0.00 -0.81 -0.25 0.00 -0.77 0.00 0.00 57.85 56.02 1g1q n ARG 85 Cb 0.34 -2.06 0.02 0.00 -1.02 0.00 0.00 32.46 29.74 1g1q n ARG 85 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1g1q s ASN 86 N -2.39 5.75 -2.10 0.55 2.20 -1.26 -3.95 114.94 113.75 1g1q s ASN 86 Ca 0.67 0.55 0.00 0.00 -0.94 0.00 0.00 52.86 53.14 1g1q s ASN 86 Cb -0.22 -1.68 0.00 0.00 -2.00 0.00 0.00 41.25 37.35 1g1q s ASN 86 CO 0.65 -0.87 0.00 -3.20 -2.94 0.00 0.00 177.10 170.74 1g1q n ASN 87 N -2.34 -5.50 -0.28 3.54 5.15 -1.26 -4.78 115.26 109.78 1g1q n ASN 87 Ca 0.03 0.49 0.07 0.00 -0.60 0.00 0.00 54.58 54.57 1g1q n ASN 87 Cb 0.57 -4.77 0.12 0.00 -0.53 0.00 0.00 39.78 35.17 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 -2.21 1.06 -0.81 1.20 1.02 -1.25 -1.49 120.64 118.16 1g1q n GLU 88 Ca -0.20 -2.40 0.08 0.00 -0.02 0.00 0.00 57.16 54.63 1g1q n GLU 88 Cb 0.67 -1.29 0.39 0.00 -0.02 0.00 0.00 31.44 31.20 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 -1.07 5.44 -4.77 1.62 5.75 -1.26 -3.94 116.55 118.32 1g1q n ASP 89 Ca 0.13 -2.76 -0.39 0.00 -0.01 0.00 0.00 54.79 51.77 1g1q n ASP 89 Cb 0.68 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 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 -1.32 2.85 0.13 0.00 1.01 -1.26 -0.48 120.40 121.33 1g1q s VAL 91 Ca 0.42 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1g1q s VAL 91 Cb -0.22 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1g1q s VAL 91 CO 0.27 0.59 -0.10 -1.83 0.00 0.00 0.00 175.10 174.03 1g1q s GLU 92 N -0.63 2.09 -0.15 2.72 -1.05 0.01 -2.05 118.70 119.64 1g1q s GLU 92 Ca 0.09 -1.12 -0.02 0.00 -0.15 0.00 0.00 54.97 53.77 1g1q s GLU 92 Cb -0.11 -2.24 -0.02 0.00 -0.44 0.00 0.00 34.13 31.32 1g1q s GLU 92 CO 0.01 0.48 -0.08 -1.50 0.95 0.00 0.00 175.26 175.11 1g1q s ILE 93 N -1.40 3.48 -1.07 1.83 2.07 -0.31 -1.51 121.20 124.29 1g1q s ILE 93 Ca 0.23 -0.50 -0.15 0.00 -1.41 0.00 0.00 60.65 58.82 1g1q s ILE 93 Cb -0.10 -2.50 -0.08 0.00 0.13 0.00 0.00 42.46 39.91 1g1q s ILE 93 CO 0.14 0.50 2.17 -1.22 -1.91 0.00 0.00 174.94 174.63 1g1q n TYR 94 N 3.60 2.20 -1.86 3.50 4.01 0.41 -3.42 117.16 125.59 1g1q n TYR 94 Ca -0.18 -2.28 -0.42 0.00 -0.16 0.00 0.00 57.90 54.86 1g1q n TYR 94 Cb 0.52 -1.99 -0.03 0.00 -0.31 0.00 0.00 39.34 37.53 1g1q n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1g1q s ILE 95 N 3.83 3.11 -2.08 -0.72 -1.09 -1.26 -0.41 121.20 122.58 1g1q s ILE 95 Ca 0.52 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1g1q s ILE 95 Cb 0.14 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1g1q s ILE 95 CO 0.01 -0.02 0.00 0.29 -1.23 0.00 0.00 174.94 173.99 1g1q n LYS 96 N 6.50 -1.43 -1.78 2.79 5.02 -1.26 -4.70 118.16 123.30 1g1q n LYS 96 Ca 0.17 1.16 -0.42 0.00 -2.02 0.00 0.00 58.31 57.21 1g1q n LYS 96 Cb 0.41 -5.53 -0.02 0.00 -0.02 0.00 0.00 35.03 29.87 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 -2.67 6.41 0.58 4.39 0.15 -0.91 -4.86 113.70 116.78 1g1q s SER 97 Ca 0.00 2.87 0.35 0.00 0.70 0.00 0.00 55.95 59.87 1g1q s SER 97 Cb 0.00 -2.61 1.75 0.00 -1.71 0.00 0.00 66.02 63.44 1g1q s SER 97 CO 0.00 -0.92 2.15 1.55 1.20 0.00 0.00 173.24 177.21 1g1q h PRO 98 N 5.92 0.00 0.00 5.44 0.13 -1.91 -3.16 132.00 138.42 1g1q h PRO 98 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1g1q h PRO 98 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1g1q h PRO 98 CO 0.88 0.05 -0.53 -1.13 -0.23 0.00 0.00 178.00 177.03 1g1q n SER 99 N -3.32 1.24 -3.47 1.44 3.41 -1.26 -4.83 113.62 106.84 1g1q n SER 99 Ca -0.02 0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 58.66 1g1q n SER 99 Cb 0.20 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 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 -3.55 3.73 -1.77 7.33 0.00 -1.26 -5.09 120.51 119.89 1g1q n ALA 100 Ca -0.07 -4.51 -0.42 0.00 0.00 0.00 0.00 53.44 48.43 1g1q n ALA 100 Cb 0.28 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 1g1q n ALA 100 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g1q s PRO 101 N -2.09 4.14 0.00 0.00 0.04 -1.19 -2.64 135.00 133.26 1g1q s PRO 101 Ca 0.37 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1g1q s PRO 101 Cb 0.12 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1g1q s PRO 101 CO -0.05 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1g1q n GLY 102 N 3.23 3.16 3.76 0.56 0.00 0.45 -4.96 105.19 111.40 1g1q n GLY 102 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.61 2.48 0.17 1.61 -0.14 -1.08 -4.50 119.74 117.67 1g1q s LYS 103 Ca 0.00 1.34 0.05 0.00 -1.36 0.00 0.00 55.97 56.00 1g1q s LYS 103 Cb 0.00 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 34.20 1g1q s LYS 103 CO 0.00 -1.50 0.17 -1.58 -0.76 0.00 0.00 175.35 171.68 1g1q s TRP 104 N -2.53 3.21 -0.17 3.18 0.51 -0.31 -0.45 118.94 122.39 1g1q s TRP 104 Ca 0.65 0.00 -0.09 0.00 -2.12 0.00 0.00 56.10 54.54 1g1q s TRP 104 Cb -0.20 -1.54 0.06 0.00 -0.81 0.00 0.00 33.47 30.98 1g1q s TRP 104 CO 0.48 0.52 0.41 1.21 -0.51 0.00 0.00 176.95 179.06 1g1q s ASN 105 N -3.17 -0.52 0.13 2.95 2.47 -0.57 -1.42 114.94 114.81 1g1q s ASN 105 Ca 0.32 0.90 -0.30 0.00 0.42 0.00 0.00 52.86 54.20 1g1q s ASN 105 Cb -0.10 0.78 -0.06 0.00 -1.45 0.00 0.00 41.25 40.41 1g1q s ASN 105 CO 0.24 -0.19 0.96 1.51 -3.72 0.00 0.00 177.10 175.90 1g1q s ASP 106 N 1.39 7.52 0.17 -4.21 1.47 -1.26 -0.81 116.67 120.94 1g1q s ASP 106 Ca -0.09 1.83 -0.01 0.00 1.18 0.00 0.00 52.55 55.45 1g1q s ASP 106 Cb -0.08 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.86 1g1q s ASP 106 CO -0.13 -0.03 0.09 -0.70 0.68 0.00 0.00 175.17 175.08 1g1q s GLU 107 N -0.20 1.07 0.18 2.11 2.56 0.36 -4.81 118.70 119.97 1g1q s GLU 107 Ca 0.46 -1.54 -0.32 0.00 0.00 0.00 0.00 54.97 53.58 1g1q s GLU 107 Cb -0.24 0.25 -0.11 0.00 2.00 0.00 0.00 34.13 36.03 1g1q s GLU 107 CO 0.30 -0.33 1.70 -1.58 -0.56 0.00 0.00 175.26 174.79 1g1q s HIS 108 N -4.10 2.80 -1.42 5.30 5.04 -1.26 -3.37 115.29 118.28 1g1q s HIS 108 Ca 0.32 0.36 0.02 0.00 -1.54 0.00 0.00 55.06 54.21 1g1q s HIS 108 Cb 0.07 -4.08 0.08 0.00 0.04 0.00 0.00 32.58 28.69 1g1q s HIS 108 CO 0.07 -4.15 0.86 0.00 -2.34 0.00 0.00 174.74 169.18 1g1q n LEU 110 N -1.29 1.08 -4.76 0.00 4.77 -1.26 -2.34 117.00 113.19 1g1q n LEU 110 Ca 0.01 -0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 55.13 1g1q n LEU 110 Cb 0.01 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1g1q n LEU 110 CO 0.01 0.25 1.07 0.29 -1.33 0.00 0.00 177.39 177.68 1g1q n LYS 111 N -1.25 2.26 -2.93 3.23 4.76 -0.75 -4.49 118.16 119.00 1g1q n LYS 111 Ca 0.05 0.80 -0.42 0.00 -2.87 0.00 0.00 58.31 55.88 1g1q n LYS 111 Cb 0.35 -2.62 -0.05 0.00 -1.84 0.00 0.00 35.03 30.87 1g1q n LYS 111 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1g1q s LYS 112 N -2.42 3.99 0.10 1.97 1.02 -1.26 -3.89 119.74 119.26 1g1q s LYS 112 Ca 0.61 0.65 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1g1q s LYS 112 Cb -0.45 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1g1q s LYS 112 CO 0.58 -0.67 -0.01 0.15 -0.92 0.00 0.00 175.35 174.48 1g1q s LYS 113 N 2.97 0.82 0.08 1.68 1.02 0.27 -4.59 119.74 121.99 1g1q s LYS 113 Ca 0.33 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 54.66 1g1q s LYS 113 Cb -0.14 0.04 -0.06 0.00 -0.52 0.00 0.00 37.83 37.16 1g1q s LYS 113 CO 0.12 -0.13 1.13 -1.01 -0.92 0.00 0.00 175.35 174.54 1g1q s HIS 114 N -3.84 3.52 0.14 3.18 3.76 -0.87 0.26 115.29 121.44 1g1q s HIS 114 Ca 0.15 1.46 -0.31 0.00 -0.15 0.00 0.00 55.06 56.21 1g1q s HIS 114 Cb 0.07 -3.32 -0.08 0.00 1.11 0.00 0.00 32.58 30.36 1g1q s HIS 114 CO -0.03 -0.85 1.30 0.00 -0.85 0.00 0.00 174.74 174.31 1g1q s ALA 115 N 0.73 3.51 -0.28 -1.40 0.00 -1.26 -1.45 121.76 121.61 1g1q s ALA 115 Ca 0.55 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1g1q s ALA 115 Cb -0.28 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1g1q s ALA 115 CO 0.30 -0.52 -0.01 -1.17 0.00 0.00 0.00 175.76 174.36 1g1q s LEU 116 N 0.53 3.59 0.40 0.00 2.96 -1.12 -1.99 118.68 123.06 1g1q s LEU 116 Ca 0.59 -1.00 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1g1q s LEU 116 Cb -0.35 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.56 1g1q s LEU 116 CO 0.33 -0.19 0.13 0.00 -1.32 0.00 0.00 176.35 175.30 1g1q s TYR 118 N -2.61 0.25 -0.19 0.00 1.13 -0.91 -0.78 117.35 114.24 1g1q s TYR 118 Ca 0.39 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.49 1g1q s TYR 118 Cb 0.05 -0.18 0.04 0.00 -1.10 0.00 0.00 41.96 40.76 1g1q s TYR 118 CO 0.21 -0.32 -0.11 0.99 -2.51 0.00 0.00 175.55 173.81 1g1q s THR 119 N -2.44 1.61 0.42 -3.49 2.01 0.58 -1.40 115.64 112.93 1g1q s THR 119 Ca -0.07 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 1g1q s THR 119 Cb -0.02 -1.65 -0.10 0.00 0.01 0.00 0.00 72.50 70.74 1g1q s THR 119 CO -0.04 0.24 1.32 0.00 -0.69 0.00 0.00 174.62 175.45 1g1q n ALA 120 N 4.71 1.52 -0.01 7.40 0.00 -1.26 -0.86 120.51 132.01 1g1q n ALA 120 Ca -0.15 0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.58 1g1q n ALA 120 Cb 0.47 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.50 1g1q n ALA 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g1q n SER 121 N 0.18 0.35 -4.70 0.00 7.64 -1.26 -4.83 113.62 111.01 1g1q n SER 121 Ca 0.06 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 1g1q n SER 121 Cb 0.40 0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 64.55 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 2.11 2.37 0.19 0.00 -1.52 -1.26 -5.01 119.66 116.54 1g1q s GLN 123 Ca 0.68 -1.71 -0.13 0.00 -1.95 0.00 0.00 55.36 52.25 1g1q s GLN 123 Cb -0.37 -2.17 0.21 0.00 -0.22 0.00 0.00 33.01 30.46 1g1q s GLN 123 CO 0.30 -0.17 1.69 0.22 -0.25 0.00 0.00 175.29 177.08 1g1q h ASP 124 N 1.21 -0.14 -0.33 5.90 3.58 -2.03 -1.93 116.42 122.68 1g1q h ASP 124 Ca -0.42 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1g1q h ASP 124 Cb 1.26 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1g1q h ASP 124 CO 0.64 -0.04 0.00 0.23 -2.88 0.00 0.00 179.24 177.19 1g1q n MET 125 N -5.19 2.03 -1.61 0.28 2.81 -1.26 -4.73 117.12 109.44 1g1q n MET 125 Ca 0.06 -1.57 -0.40 0.00 -1.81 0.00 0.00 57.70 53.98 1g1q n MET 125 Cb 0.27 -1.40 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1g1q n MET 125 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1g1q n SER 126 N 0.78 1.09 -1.54 7.83 2.88 -0.73 -1.74 113.62 122.19 1g1q n SER 126 Ca 0.17 0.95 -0.17 0.00 -1.33 0.00 0.00 58.87 58.48 1g1q n SER 126 Cb 0.41 -1.37 -0.07 0.00 -0.75 0.00 0.00 64.21 62.43 1g1q n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g1q n SER 128 N -1.02 -5.40 -1.89 0.00 7.64 -0.71 -1.77 113.62 110.47 1g1q n SER 128 Ca -0.18 0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 1g1q n SER 128 Cb 0.57 -4.58 -0.02 0.00 -1.01 0.00 0.00 64.21 59.17 1g1q n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1g1q n LYS 129 N -2.80 -1.83 -0.62 1.43 5.02 -0.97 -4.76 118.16 113.64 1g1q n LYS 129 Ca -0.22 0.52 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1g1q n LYS 129 Cb 0.66 -4.90 0.13 0.00 -0.02 0.00 0.00 35.03 30.90 1g1q n LYS 129 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g1q n GLN 130 N -2.21 1.01 -3.71 1.97 6.02 -0.73 -5.05 117.38 114.68 1g1q n GLN 130 Ca -0.11 -2.59 0.01 0.00 -0.01 0.00 0.00 57.00 54.30 1g1q n GLN 130 Cb 0.46 -1.14 -0.00 0.00 1.02 0.00 0.00 30.24 30.57 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 -2.64 -0.31 0.05 1.08 0.00 -1.23 -2.28 107.32 101.99 1g1q s GLY 131 Ca 0.31 0.44 -0.20 0.00 0.00 0.00 0.00 44.72 45.27 1g1q s GLY 131 CO -0.05 0.96 0.59 1.85 0.00 0.00 0.00 173.10 176.45 1g1q s GLU 132 N -2.50 4.27 -0.37 2.90 2.12 -0.71 -4.88 118.70 119.54 1g1q s GLU 132 Ca 0.16 0.77 -0.16 0.00 0.36 0.00 0.00 54.97 56.10 1g1q s GLU 132 Cb 0.03 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1g1q s GLU 132 CO -0.02 0.53 0.39 0.00 -0.54 0.00 0.00 175.26 175.62 1g1q s LEU 134 N 2.06 4.05 0.12 0.00 1.43 0.09 -4.95 118.68 121.48 1g1q s LEU 134 Ca 0.12 0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 1g1q s LEU 134 Cb -0.17 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 1g1q s LEU 134 CO 0.12 0.05 1.29 -1.61 0.23 0.00 0.00 176.35 176.43 1g1q s GLU 135 N 1.12 4.39 0.41 1.70 0.41 -1.26 -0.78 118.70 124.69 1g1q s GLU 135 Ca 0.07 1.94 0.04 0.00 -0.41 0.00 0.00 54.97 56.61 1g1q s GLU 135 Cb -0.14 -3.27 -0.05 0.00 -1.78 0.00 0.00 34.13 28.89 1g1q s GLU 135 CO 0.05 -0.30 0.04 0.95 -0.49 0.00 0.00 175.26 175.51 1g1q s THR 136 N 0.76 1.33 -0.44 3.63 -4.23 -0.78 -4.79 115.64 111.12 1g1q s THR 136 Ca 0.60 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.84 1g1q s THR 136 Cb -0.34 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1g1q s THR 136 CO 0.32 0.00 2.08 -0.63 -0.54 0.00 0.00 174.62 175.85 1g1q s ILE 137 N -3.00 3.22 0.00 2.99 1.01 -1.26 -0.70 121.20 123.45 1g1q s ILE 137 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1g1q s ILE 137 Cb 0.06 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1g1q s ILE 137 CO 0.13 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1g1q n GLY 138 N 5.74 1.83 0.00 6.18 0.00 0.12 -4.90 105.19 114.16 1g1q n GLY 138 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.04 -3.50 1.61 2.85 -1.10 -4.69 115.26 110.47 1g1q n ASN 139 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 1g1q n ASN 139 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 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 -0.12 -0.53 0.33 1.20 1.13 -1.26 -1.05 117.35 117.04 1g1q s TYR 140 Ca 0.00 0.66 0.06 0.00 -1.41 0.00 0.00 57.07 56.38 1g1q s TYR 140 Cb 0.00 0.48 -0.07 0.00 -1.10 0.00 0.00 41.96 41.28 1g1q s TYR 140 CO 0.00 -0.63 0.01 0.95 -2.51 0.00 0.00 175.55 173.37 1g1q s THR 141 N -2.26 1.54 -0.08 -3.49 -4.23 0.04 -4.89 115.64 102.28 1g1q s THR 141 Ca -0.03 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1g1q s THR 141 Cb -0.01 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 1g1q s THR 141 CO -0.01 -0.10 -0.18 0.00 -0.54 0.00 0.00 174.62 173.78 1g1q s SER 143 N -0.15 4.93 0.53 0.00 0.15 -0.59 -4.95 113.70 113.63 1g1q s SER 143 Ca -0.02 -2.84 -0.21 0.00 0.70 0.00 0.00 55.95 53.57 1g1q s SER 143 Cb -0.14 -1.78 -0.07 0.00 -1.71 0.00 0.00 66.02 62.33 1g1q s SER 143 CO 0.04 -0.33 1.06 0.00 1.20 0.00 0.00 173.24 175.20 1g1q s TYR 145 N -1.40 3.26 0.26 0.00 2.02 -0.96 -4.84 117.35 115.68 1g1q s TYR 145 Ca 0.71 0.83 -0.30 0.00 -0.37 0.00 0.00 57.07 57.94 1g1q s TYR 145 Cb -0.46 -2.95 -0.14 0.00 -0.40 0.00 0.00 41.96 38.01 1g1q s TYR 145 CO 0.51 -1.06 1.19 -2.30 -1.57 0.00 0.00 175.55 172.32 1g1q n PRO 146 N -2.83 1.60 -0.20 -1.71 -0.02 -1.26 -2.26 135.00 128.32 1g1q n PRO 146 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1g1q n PRO 146 Cb 0.58 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.56 1.05 3.12 -1.23 0.00 -1.26 -5.04 105.19 103.39 1g1q n GLY 147 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.64 0.98 0.34 1.61 0.40 -0.96 -0.40 117.98 117.31 1g1q s PHE 148 Ca 0.00 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1g1q s PHE 148 Cb 0.00 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1g1q s PHE 148 CO 0.00 -0.00 0.52 1.52 0.70 0.00 0.00 175.22 177.95 1g1q s TYR 149 N -1.19 0.87 0.00 0.36 1.13 0.80 -4.51 117.35 114.82 1g1q s TYR 149 Ca -0.04 -1.18 0.00 0.00 -1.41 0.00 0.00 57.07 54.44 1g1q s TYR 149 Cb -0.09 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 1g1q s TYR 149 CO 0.01 -1.18 0.00 0.41 -2.51 0.00 0.00 175.55 172.28 1g1q n GLY 150 N -0.54 2.35 0.37 5.49 0.00 -1.26 -0.35 105.19 111.24 1g1q n GLY 150 Ca -0.01 -1.94 0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 0.11 -0.12 1.61 0.13 -2.01 -0.62 132.00 131.11 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 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1g1q h PRO 151 CO 0.00 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.23 1g1q n GLU 152 N -4.42 2.22 -2.86 0.86 -0.58 -1.26 -4.36 120.64 110.24 1g1q n GLU 152 Ca 0.09 -2.45 -0.20 0.00 -0.42 0.00 0.00 57.16 54.19 1g1q n GLU 152 Cb 0.52 -1.51 0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1g1q n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g1q h GLU 154 N -0.72 0.00 -6.04 0.00 9.09 -1.68 -3.40 114.58 111.83 1g1q h GLU 154 Ca -0.44 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.39 1g1q h GLU 154 Cb 1.31 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.36 1g1q h GLU 154 CO 0.51 0.27 -0.03 0.71 0.05 0.00 0.00 179.01 180.52 1g1q s TYR 155 N -3.13 3.66 -0.17 2.06 2.02 0.52 -4.95 117.35 117.36 1g1q s TYR 155 Ca 0.05 1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 57.90 1g1q s TYR 155 Cb 0.07 -2.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.04 1g1q s TYR 155 CO 0.70 0.34 -0.13 0.54 -1.57 0.00 0.00 175.55 175.44 1g1q s VAL 156 N -0.12 2.82 0.22 0.71 0.11 -1.26 -0.14 120.40 122.74 1g1q s VAL 156 Ca 0.30 -0.70 -0.32 0.00 -2.93 0.00 0.00 61.98 58.33 1g1q s VAL 156 Cb -0.18 -2.22 -0.12 0.00 -1.53 0.00 0.00 36.38 32.33 1g1q s VAL 156 CO 0.16 0.49 1.65 0.54 -3.33 0.00 0.00 175.10 174.62 1g1q n ARG 157 N 4.30 2.62 -1.88 1.54 5.12 0.46 -4.90 116.66 123.92 1g1q n ARG 157 Ca -0.19 0.94 -0.43 0.00 -1.93 0.00 0.00 57.85 56.24 1g1q n ARG 157 Cb 0.51 -2.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.04 1g1q n ARG 157 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1g1q s ASP 158 N 0.92 5.71 0.00 0.55 -0.00 -1.26 -5.00 116.67 117.59 1g1q s ASP 158 Ca 0.73 1.44 0.00 0.00 -0.00 0.00 0.00 52.55 54.72 1g1q s ASP 158 Cb -0.54 -2.52 0.00 0.00 -0.00 0.00 0.00 42.92 39.86 1g1q s ASP 158 CO 0.38 -1.83 0.00 -0.90 -0.00 0.00 0.00 175.17 172.82