#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 4.26 0.08 -1.67 -4.23 -0.54 -0.03 115.64 113.52 1g1q s THR 2 Ca 0.00 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1g1q s THR 2 Cb 0.00 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1g1q s THR 2 CO 0.00 0.08 0.11 -0.31 -0.54 0.00 0.00 174.62 173.96 1g1q s TYR 3 N -1.42 3.25 -0.06 3.99 2.02 -1.26 -0.65 117.35 123.22 1g1q s TYR 3 Ca 0.28 0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.89 1g1q s TYR 3 Cb -0.12 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1g1q s TYR 3 CO 0.20 0.53 0.44 -1.01 -1.57 0.00 0.00 175.55 174.14 1g1q s HIS 4 N -1.45 -0.37 0.04 2.71 3.76 0.21 -4.95 115.29 115.24 1g1q s HIS 4 Ca 0.31 0.70 -0.04 0.00 -0.15 0.00 0.00 55.06 55.88 1g1q s HIS 4 Cb -0.12 0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.74 1g1q s HIS 4 CO 0.23 -0.41 0.06 1.52 -0.85 0.00 0.00 174.74 175.29 1g1q s TYR 5 N -0.93 0.27 0.24 1.40 1.13 -1.26 0.24 117.35 118.44 1g1q s TYR 5 Ca -0.10 -0.63 -0.15 0.00 -1.41 0.00 0.00 57.07 54.78 1g1q s TYR 5 Cb -0.03 -0.20 -0.08 0.00 -1.10 0.00 0.00 41.96 40.55 1g1q s TYR 5 CO 0.05 -0.35 0.66 -1.54 -2.51 0.00 0.00 175.55 171.85 1g1q s SER 6 N -2.25 6.84 0.00 -0.18 1.04 -0.43 -4.97 113.70 113.76 1g1q s SER 6 Ca -0.03 1.21 0.27 0.00 0.48 0.00 0.00 55.95 57.87 1g1q s SER 6 Cb -0.00 -2.34 0.83 0.00 0.10 0.00 0.00 66.02 64.61 1g1q s SER 6 CO -0.06 -0.04 1.64 0.35 0.98 0.00 0.00 173.24 176.11 1g1q n THR 7 N 0.26 0.00 -4.35 2.02 -2.24 -1.26 -4.55 114.28 104.15 1g1q n THR 7 Ca -0.01 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 1g1q n THR 7 Cb 0.52 -0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.95 2.09 0.05 -0.78 -0.14 -1.26 -5.10 119.74 111.65 1g1q s LYS 8 Ca 0.14 -1.52 -0.08 0.00 -1.36 0.00 0.00 55.97 53.14 1g1q s LYS 8 Cb 0.18 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 1g1q s LYS 8 CO 0.62 0.36 0.34 0.00 -0.76 0.00 0.00 175.35 175.91 1g1q s ALA 9 N -2.35 3.78 0.22 5.17 0.00 -1.26 -4.43 121.76 122.88 1g1q s ALA 9 Ca 0.31 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1g1q s ALA 9 Cb -0.06 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 1g1q s ALA 9 CO 0.18 0.60 0.28 0.71 0.00 0.00 0.00 175.76 177.53 1g1q s TYR 10 N -1.36 0.79 0.97 0.00 2.02 0.83 -4.71 117.35 115.89 1g1q s TYR 10 Ca 0.31 -1.08 -0.12 0.00 -0.37 0.00 0.00 57.07 55.81 1g1q s TYR 10 Cb -0.14 -0.23 0.17 0.00 -0.40 0.00 0.00 41.96 41.37 1g1q s TYR 10 CO 0.17 -0.79 1.09 -1.54 -1.57 0.00 0.00 175.55 172.91 1g1q s SER 11 N -3.09 2.82 0.13 2.29 1.04 -1.26 0.24 113.70 115.86 1g1q s SER 11 Ca 0.31 1.46 -0.19 0.00 0.48 0.00 0.00 55.95 58.01 1g1q s SER 11 Cb 0.04 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 1g1q s SER 11 CO 0.10 -3.05 1.76 -0.25 0.98 0.00 0.00 173.24 172.78 1g1q h TRP 12 N -1.83 0.18 -0.91 5.02 7.01 -1.29 0.79 115.95 124.92 1g1q h TRP 12 Ca -0.52 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.50 1g1q h TRP 12 Cb 1.30 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 28.27 1g1q h TRP 12 CO 0.37 0.10 0.61 -0.91 -2.79 0.00 0.00 178.44 175.81 1g1q h ASN 13 N 0.21 1.04 -0.24 2.65 2.35 -1.92 -0.53 115.58 119.15 1g1q h ASN 13 Ca 0.09 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1g1q h ASN 13 Cb 0.04 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1g1q h ASN 13 CO -0.07 0.75 -0.44 0.40 -1.65 0.00 0.00 177.43 176.42 1g1q h ILE 14 N 1.23 1.31 -0.95 2.81 1.08 -1.79 -2.35 117.51 118.85 1g1q h ILE 14 Ca 0.34 -1.65 0.06 0.00 -0.39 0.00 0.00 64.86 63.23 1g1q h ILE 14 Cb -0.12 1.76 -0.07 0.00 -3.07 0.00 0.00 36.82 35.32 1g1q h ILE 14 CO -0.08 0.52 0.60 0.28 -0.69 0.00 0.00 178.15 178.79 1g1q h SER 15 N 0.43 0.96 -0.23 1.72 0.02 -0.36 0.32 113.55 116.42 1g1q h SER 15 Ca 0.01 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1g1q h SER 15 Cb 1.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1g1q h SER 15 CO 0.10 0.61 -0.13 -0.09 -1.14 0.00 0.00 176.83 176.18 1g1q h ARG 16 N 1.10 0.63 0.13 3.45 2.43 -0.97 -0.49 114.38 120.65 1g1q h ARG 16 Ca 0.41 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1g1q h ARG 16 Cb 0.17 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1g1q h ARG 16 CO -0.17 0.74 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.74 1g1q h LYS 17 N 0.57 -0.17 -0.71 0.20 3.64 -0.51 0.14 116.57 119.73 1g1q h LYS 17 Ca 0.10 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1g1q h LYS 17 Cb 0.55 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 1g1q h LYS 17 CO 0.03 0.04 0.14 -0.92 -2.27 0.00 0.00 179.45 176.47 1g1q h TYR 18 N -0.36 0.21 -0.30 1.91 5.03 -0.12 0.26 116.97 123.60 1g1q h TYR 18 Ca -0.02 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.22 1g1q h TYR 18 Cb 0.29 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1g1q h TYR 18 CO -0.01 -0.10 -0.26 0.00 -1.32 0.00 0.00 178.16 176.47 1g1q h GLN 20 N 0.46 0.00 0.02 0.00 4.20 -0.09 0.11 115.11 119.81 1g1q h GLN 20 Ca 0.05 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 1g1q h GLN 20 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1g1q h GLN 20 CO 0.07 0.15 -0.93 -0.91 -0.67 0.00 0.00 178.83 176.54 1g1q h ASN 21 N 0.00 0.28 0.00 1.46 -0.26 -0.39 -3.39 115.58 113.28 1g1q h ASN 21 Ca -0.00 -0.24 -0.24 0.00 -0.56 0.00 0.00 56.30 55.26 1g1q h ASN 21 Cb 0.74 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.87 1g1q h ASN 21 CO 0.02 1.06 -1.92 0.54 -1.06 0.00 0.00 177.43 176.07 1g1q n ARG 22 N -3.63 1.11 0.00 0.81 1.74 -1.11 -5.07 116.66 110.51 1g1q n ARG 22 Ca -0.04 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1g1q n ARG 22 Cb 0.84 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.07 -1.55 4.01 0.36 -5.10 117.16 112.07 1g1q n TYR 23 Ca -0.25 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.42 1g1q n TYR 23 Cb 0.87 0.00 -0.02 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 1.18 -3.73 -0.72 -1.04 -0.20 -4.62 114.28 105.15 1g1q n THR 24 Ca 0.00 0.23 -0.02 0.00 -2.04 0.00 0.00 64.05 62.22 1g1q n THR 24 Cb 0.00 -2.19 0.01 0.00 -1.82 0.00 0.00 70.33 66.33 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 -4.09 -1.12 -4.77 8.00 -0.08 -1.14 -4.18 116.55 109.18 1g1q n ASP 25 Ca -0.10 -1.59 -0.38 0.00 -1.51 0.00 0.00 54.79 51.21 1g1q n ASP 25 Cb 0.36 1.83 0.00 0.00 2.34 0.00 0.00 41.12 45.64 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 4.09 0.41 -2.67 1.43 -1.26 -1.78 118.68 118.90 1g1q s LEU 26 Ca 0.15 2.53 -0.24 0.00 -1.03 0.00 0.00 54.13 55.54 1g1q s LEU 26 Cb -0.02 -4.08 -0.11 0.00 0.03 0.00 0.00 46.19 42.01 1g1q s LEU 26 CO 0.04 -0.98 0.88 1.33 0.23 0.00 0.00 176.35 177.85 1g1q n VAL 27 N -0.26 2.28 -4.53 -1.59 0.24 -0.15 -4.01 118.33 110.30 1g1q n VAL 27 Ca 0.06 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.54 1g1q n VAL 27 Cb 0.45 -0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.31 2.95 -0.04 2.33 0.00 -1.26 0.12 121.76 124.55 1g1q s ALA 28 Ca 0.63 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.64 1g1q s ALA 28 Cb -0.58 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 1g1q s ALA 28 CO 0.57 0.60 -0.23 0.42 0.00 0.00 0.00 175.76 177.12 1g1q s ILE 29 N -0.95 2.28 -0.09 0.00 1.01 -1.26 -5.03 121.20 117.16 1g1q s ILE 29 Ca 0.16 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.86 1g1q s ILE 29 Cb -0.11 -1.82 -0.10 0.00 0.01 0.00 0.00 42.46 40.43 1g1q s ILE 29 CO 0.06 0.58 0.01 0.00 0.00 0.00 0.00 174.94 175.59 1g1q n GLN 30 N 2.54 2.25 -3.90 2.79 6.02 -1.26 -4.82 117.38 121.00 1g1q n GLN 30 Ca -0.17 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.73 1g1q n GLN 30 Cb 0.51 -1.23 -0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 -4.22 0.24 0.41 1.08 2.20 -1.26 -3.40 114.94 109.99 1g1q s ASN 31 Ca -0.06 -1.20 0.21 0.00 -0.94 0.00 0.00 52.86 50.88 1g1q s ASN 31 Cb 0.03 0.78 0.80 0.00 -2.00 0.00 0.00 41.25 40.86 1g1q s ASN 31 CO 0.35 -1.54 1.78 0.11 -2.94 0.00 0.00 177.10 174.86 1g1q h LYS 32 N 2.04 0.00 -0.33 3.55 1.79 -1.88 -3.07 116.57 118.66 1g1q h LYS 32 Ca -0.30 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1g1q h LYS 32 Cb 1.25 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1g1q h LYS 32 CO 0.39 0.29 0.16 -0.91 -1.08 0.00 0.00 179.45 178.30 1g1q h ASN 33 N 0.00 0.44 -0.60 0.86 2.35 -1.96 -0.03 115.58 116.63 1g1q h ASN 33 Ca -0.00 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1g1q h ASN 33 Cb 0.82 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 1g1q h ASN 33 CO 0.04 0.44 0.37 -0.33 -1.65 0.00 0.00 177.43 176.30 1g1q h GLU 34 N 0.40 0.71 -0.60 0.81 5.08 -1.97 0.12 114.58 119.13 1g1q h GLU 34 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1g1q h GLU 34 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1g1q h GLU 34 CO -0.01 0.47 0.35 0.82 -1.00 0.00 0.00 179.01 179.64 1g1q h ILE 35 N 0.74 1.18 -0.65 3.13 2.04 -1.38 0.22 117.51 122.79 1g1q h ILE 35 Ca 0.24 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1g1q h ILE 35 Cb 0.01 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1g1q h ILE 35 CO -0.10 0.19 0.33 -0.78 0.00 0.00 0.00 178.15 177.79 1g1q h ASP 36 N 0.82 0.84 -0.02 1.72 3.58 -0.29 -1.29 116.42 121.78 1g1q h ASP 36 Ca 0.22 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1g1q h ASP 36 Cb -0.00 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 1g1q h ASP 36 CO -0.04 0.72 0.01 0.22 -2.88 0.00 0.00 179.24 177.27 1g1q h TYR 37 N 0.89 0.03 -0.86 0.28 3.20 -0.18 -2.81 116.97 117.52 1g1q h TYR 37 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1g1q h TYR 37 Cb 0.09 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1g1q h TYR 37 CO -0.00 0.20 0.48 -0.07 -1.64 0.00 0.00 178.16 177.13 1g1q h LEU 38 N -0.16 1.07 -2.07 2.82 3.38 -0.47 -1.58 115.31 118.31 1g1q h LEU 38 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1g1q h LEU 38 Cb 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1g1q h LEU 38 CO -0.00 0.85 -0.06 -1.13 0.09 0.00 0.00 178.44 178.19 1g1q h ASN 39 N 1.20 0.00 0.20 -0.43 -1.24 -1.13 -1.90 115.58 112.27 1g1q h ASN 39 Ca 0.30 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.97 1g1q h ASN 39 Cb 0.02 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 1g1q h ASN 39 CO -0.05 0.06 -2.07 2.29 -1.29 0.00 0.00 177.43 176.37 1g1q n LYS 40 N -4.07 0.68 0.06 6.67 2.85 -0.90 -4.34 118.16 119.12 1g1q n LYS 40 Ca -0.03 0.19 -0.21 0.00 -1.05 0.00 0.00 58.31 57.22 1g1q n LYS 40 Cb 0.15 -1.66 -0.11 0.00 -0.65 0.00 0.00 35.03 32.75 1g1q n LYS 40 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1g1q h VAL 41 N 0.02 1.28 -3.82 0.58 -1.51 -1.21 -3.46 116.25 108.14 1g1q h VAL 41 Ca -0.43 -2.33 -0.52 0.00 -1.23 0.00 0.00 66.70 62.19 1g1q h VAL 41 Cb 2.05 2.50 0.06 0.00 -2.13 0.00 0.00 31.29 33.77 1g1q h VAL 41 CO 0.04 0.72 0.64 -0.76 -1.23 0.00 0.00 177.57 176.97 1g1q s LEU 42 N -8.02 4.43 0.53 4.19 1.43 -0.72 -5.00 118.68 115.52 1g1q s LEU 42 Ca -0.10 2.65 -0.17 0.00 -1.03 0.00 0.00 54.13 55.48 1g1q s LEU 42 Cb 0.06 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 1g1q s LEU 42 CO 0.93 -0.52 1.00 -2.16 0.23 0.00 0.00 176.35 175.83 1g1q s PRO 43 N -1.59 3.81 0.20 1.29 0.04 -1.26 -4.88 135.00 132.61 1g1q s PRO 43 Ca 0.50 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1g1q s PRO 43 Cb -0.39 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1g1q s PRO 43 CO 0.51 -0.39 1.17 -0.47 0.04 0.00 0.00 177.00 177.86 1g1q s TYR 44 N -2.54 3.46 -0.03 0.56 5.04 -1.26 -4.97 117.35 117.61 1g1q s TYR 44 Ca 0.60 1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 56.71 1g1q s TYR 44 Cb -0.11 -3.39 0.02 0.00 0.35 0.00 0.00 41.96 38.82 1g1q s TYR 44 CO 0.31 -1.04 0.07 0.71 -1.34 0.00 0.00 175.55 174.26 1g1q s TYR 45 N -0.26 -0.05 -0.11 4.97 2.02 -1.26 -5.05 117.35 117.61 1g1q s TYR 45 Ca 0.51 0.23 0.28 0.00 -0.37 0.00 0.00 57.07 57.71 1g1q s TYR 45 Cb -0.32 -0.11 1.34 0.00 -0.40 0.00 0.00 41.96 42.47 1g1q s TYR 45 CO 0.37 -0.09 1.84 0.66 -1.57 0.00 0.00 175.55 176.77 1g1q h SER 46 N 6.85 0.00 0.35 2.29 4.64 -1.96 -1.05 113.55 124.67 1g1q h SER 46 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1g1q h SER 46 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1g1q h SER 46 CO 0.46 0.00 -0.44 -1.20 -0.87 0.00 0.00 176.83 174.78 1g1q n SER 47 N -2.51 0.78 -0.41 4.97 7.64 -1.26 -5.05 113.62 117.78 1g1q n SER 47 Ca -0.00 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1g1q n SER 47 Cb 0.15 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.13 -1.35 -4.30 1.43 4.01 -0.40 -4.60 117.16 110.83 1g1q n TYR 48 Ca 0.08 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.58 1g1q n TYR 48 Cb 0.34 0.22 -0.12 0.00 -0.31 0.00 0.00 39.34 39.47 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 1.84 0.14 -0.72 1.51 -1.21 -1.04 117.35 117.86 1g1q s TYR 49 Ca 0.00 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.48 1g1q s TYR 49 Cb 0.00 -1.00 -0.07 0.00 -0.11 0.00 0.00 41.96 40.78 1g1q s TYR 49 CO 0.00 0.22 0.58 -1.58 -1.11 0.00 0.00 175.55 173.66 1g1q s TRP 50 N -1.20 3.67 0.31 2.71 0.23 0.30 -0.60 118.94 124.36 1g1q s TRP 50 Ca 0.08 1.17 0.11 0.00 -2.03 0.00 0.00 56.10 55.42 1g1q s TRP 50 Cb -0.10 -2.44 -0.06 0.00 0.03 0.00 0.00 33.47 30.91 1g1q s TRP 50 CO 0.05 0.46 -0.14 0.96 0.96 0.00 0.00 176.95 179.23 1g1q s ILE 51 N -1.38 2.42 -1.53 2.03 -4.36 -0.57 -3.23 121.20 114.59 1g1q s ILE 51 Ca 0.36 -2.29 -0.10 0.00 -0.26 0.00 0.00 60.65 58.37 1g1q s ILE 51 Cb -0.16 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 1g1q s ILE 51 CO 0.19 -0.31 2.70 0.61 0.24 0.00 0.00 174.94 178.37 1g1q n GLY 52 N -0.72 4.49 2.84 6.27 0.00 0.12 -4.60 105.19 113.60 1g1q n GLY 52 Ca -0.05 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 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 1.56 0.07 0.14 -0.61 2.07 -1.26 -0.98 121.20 122.18 1g1q s ILE 53 Ca 0.62 0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.94 1g1q s ILE 53 Cb 0.17 -0.12 -0.04 0.00 0.13 0.00 0.00 42.46 42.60 1g1q s ILE 53 CO -0.07 0.07 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.83 1g1q s ARG 54 N 0.47 1.00 -0.20 3.50 1.81 -0.95 -4.14 118.95 120.44 1g1q s ARG 54 Ca -0.04 -1.44 -0.08 0.00 -1.72 0.00 0.00 55.73 52.45 1g1q s ARG 54 Cb -0.06 -0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.99 1g1q s ARG 54 CO -0.01 -0.01 0.09 0.21 -0.68 0.00 0.00 175.30 174.90 1g1q s LYS 55 N -3.82 4.03 -0.20 3.54 2.20 -1.26 -1.00 119.74 123.22 1g1q s LYS 55 Ca 0.17 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1g1q s LYS 55 Cb 0.04 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1g1q s LYS 55 CO -0.00 0.24 -0.11 -0.80 -0.36 0.00 0.00 175.35 174.31 1g1q s ASN 56 N 0.50 3.51 0.00 1.43 0.02 -0.71 -4.93 114.94 114.75 1g1q s ASN 56 Ca 0.05 -0.93 0.00 0.00 -1.02 0.00 0.00 52.86 50.96 1g1q s ASN 56 Cb -0.12 -1.29 0.00 0.00 0.02 0.00 0.00 41.25 39.86 1g1q s ASN 56 CO 0.00 -0.14 0.00 -0.46 0.02 0.00 0.00 177.10 176.52 1g1q n ASN 57 N 4.65 0.00 -0.24 -1.22 6.94 -1.26 0.08 115.26 124.21 1g1q n ASN 57 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 1g1q n ASN 57 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1g1q n ASN 57 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1g1q n LYS 58 N 0.00 0.00 -3.93 -3.83 5.02 -1.26 -5.07 118.16 109.09 1g1q n LYS 58 Ca 0.00 -0.41 -0.35 0.00 -2.02 0.00 0.00 58.31 55.53 1g1q n LYS 58 Cb 0.00 -0.28 -0.14 0.00 -0.02 0.00 0.00 35.03 34.59 1g1q n LYS 58 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1g1q s THR 59 N 0.00 3.01 -0.00 -0.18 2.01 0.11 -5.09 115.64 115.50 1g1q s THR 59 Ca 0.00 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1g1q s THR 59 Cb 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1g1q s THR 59 CO 0.00 0.12 1.05 0.26 -0.69 0.00 0.00 174.62 175.35 1g1q s TRP 60 N 1.32 3.57 -0.03 4.92 0.52 -1.26 -1.74 118.94 126.24 1g1q s TRP 60 Ca -0.01 1.57 0.03 0.00 0.02 0.00 0.00 56.10 57.71 1g1q s TRP 60 Cb -0.17 -3.21 -0.00 0.00 -1.15 0.00 0.00 33.47 28.93 1g1q s TRP 60 CO -0.03 -0.40 -0.12 0.99 0.02 0.00 0.00 176.95 177.41 1g1q s THR 61 N 1.21 1.02 -0.11 2.01 2.01 -0.17 -1.38 115.64 120.21 1g1q s THR 61 Ca 0.53 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1g1q s THR 61 Cb -0.23 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1g1q s THR 61 CO 0.27 0.30 1.40 0.26 -0.69 0.00 0.00 174.62 176.16 1g1q s TRP 62 N 0.07 2.56 0.38 4.92 0.52 -0.15 -2.25 118.94 124.99 1g1q s TRP 62 Ca -0.02 0.72 0.05 0.00 0.02 0.00 0.00 56.10 56.87 1g1q s TRP 62 Cb -0.09 -3.65 0.74 0.00 -1.15 0.00 0.00 33.47 29.32 1g1q s TRP 62 CO 0.01 -2.47 2.02 -0.39 0.02 0.00 0.00 176.95 176.14 1g1q h VAL 63 N 5.47 1.12 0.00 4.03 -1.51 -1.39 0.44 116.25 124.40 1g1q h VAL 63 Ca -0.32 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.87 1g1q h VAL 63 Cb 1.14 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1g1q h VAL 63 CO 0.96 0.13 -0.33 1.23 -1.23 0.00 0.00 177.57 178.33 1g1q h GLY 64 N 0.72 0.00 0.00 5.19 0.00 -1.80 -3.36 103.07 103.83 1g1q h GLY 64 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1g1q h GLY 64 CO -0.05 0.00 -0.50 -1.30 0.00 0.00 0.00 176.54 174.69 1g1q n THR 65 N -3.06 0.00 -0.97 4.70 -2.24 -1.09 -4.99 114.28 106.63 1g1q n THR 65 Ca 0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1g1q n THR 65 Cb 0.60 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.27 -0.95 -3.26 -0.78 4.01 0.15 -4.99 118.16 111.07 1g1q n LYS 66 Ca 0.00 0.24 -0.34 0.00 -0.51 0.00 0.00 58.31 57.71 1g1q n LYS 66 Cb 0.09 -4.01 -0.06 0.00 -0.51 0.00 0.00 35.03 30.54 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 -1.01 3.99 0.62 1.97 1.02 -1.24 -4.80 119.74 120.28 1g1q s LYS 67 Ca 0.00 0.55 -0.13 0.00 0.02 0.00 0.00 55.97 56.41 1g1q s LYS 67 Cb 0.00 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1g1q s LYS 67 CO 0.00 0.33 1.03 0.00 -0.92 0.00 0.00 175.35 175.79 1g1q s ALA 68 N -1.72 2.92 0.25 5.17 0.00 -1.26 -0.97 121.76 126.14 1g1q s ALA 68 Ca 0.46 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 1g1q s ALA 68 Cb -0.13 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1g1q s ALA 68 CO 0.19 -0.78 1.31 -1.17 0.00 0.00 0.00 175.76 175.32 1g1q s LEU 69 N -4.99 4.42 0.43 0.00 2.96 -0.48 -4.86 118.68 116.16 1g1q s LEU 69 Ca 0.58 2.51 0.07 0.00 -0.22 0.00 0.00 54.13 57.07 1g1q s LEU 69 Cb -0.12 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1g1q s LEU 69 CO 0.48 -0.53 0.31 0.42 -1.32 0.00 0.00 176.35 175.71 1g1q s THR 70 N -0.32 2.44 0.18 3.68 -4.23 -1.26 -5.00 115.64 111.12 1g1q s THR 70 Ca 0.54 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1g1q s THR 70 Cb -0.38 -2.92 -0.12 0.00 1.34 0.00 0.00 72.50 70.41 1g1q s THR 70 CO 0.43 0.00 1.42 0.78 -0.54 0.00 0.00 174.62 176.71 1g1q h ASN 71 N 1.15 0.29 -0.84 3.99 2.35 -1.96 -1.33 115.58 119.24 1g1q h ASN 71 Ca -0.41 -0.22 0.07 0.00 -0.55 0.00 0.00 56.30 55.19 1g1q h ASN 71 Cb 1.26 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.48 1g1q h ASN 71 CO 0.62 0.98 0.51 -0.33 -1.65 0.00 0.00 177.43 177.56 1g1q h GLU 72 N 0.14 0.88 0.05 0.81 3.07 -1.96 -3.03 114.58 114.55 1g1q h GLU 72 Ca -0.04 -0.05 -0.30 0.00 -0.50 0.00 0.00 59.36 58.48 1g1q h GLU 72 Cb 1.40 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 1g1q h GLU 72 CO 0.13 0.58 -1.60 0.00 -1.40 0.00 0.00 179.01 176.71 1g1q h ALA 73 N 1.42 0.52 -1.65 3.43 0.00 -1.56 -3.25 119.26 118.17 1g1q h ALA 73 Ca 0.38 -1.28 -0.69 0.00 0.00 0.00 0.00 54.91 53.32 1g1q h ALA 73 Cb 0.24 0.37 0.05 0.00 0.00 0.00 0.00 17.79 18.45 1g1q h ALA 73 CO -0.20 1.37 0.56 -1.91 0.00 0.00 0.00 179.25 179.07 1g1q n GLU 74 N -3.27 1.15 -2.63 0.00 0.00 -0.51 -4.83 120.64 110.57 1g1q n GLU 74 Ca -0.17 0.42 -0.01 0.00 0.00 0.00 0.00 57.16 57.41 1g1q n GLU 74 Cb 1.03 -2.07 0.07 0.00 0.00 0.00 0.00 31.44 30.47 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 3.18 0.55 -4.68 4.31 5.15 -1.26 -4.98 115.26 117.52 1g1q n ASN 75 Ca 0.20 -2.08 -0.43 0.00 -0.60 0.00 0.00 54.58 51.67 1g1q n ASN 75 Cb 0.18 -0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.32 1g1q n ASN 75 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1g1q n TRP 76 N -0.78 2.17 -1.34 1.20 7.02 -1.26 -0.61 117.44 123.84 1g1q n TRP 76 Ca -0.02 0.53 -0.30 0.00 -1.02 0.00 0.00 57.50 56.70 1g1q n TRP 76 Cb 0.85 -2.41 0.11 0.00 -2.42 0.00 0.00 31.31 27.43 1g1q n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1g1q s ALA 77 N -0.82 1.94 0.17 6.99 0.00 0.15 -4.60 121.76 125.59 1g1q s ALA 77 Ca 0.59 -0.05 -0.34 0.00 0.00 0.00 0.00 51.96 52.16 1g1q s ALA 77 Cb -0.60 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.20 1g1q s ALA 77 CO 0.59 -2.00 1.48 -0.25 0.00 0.00 0.00 175.76 175.58 1g1q n ASP 78 N -3.64 2.71 0.00 0.00 8.00 -1.26 -1.38 116.55 120.98 1g1q n ASP 78 Ca 0.07 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1g1q n ASP 78 Cb 0.55 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 2.92 -0.88 -4.62 -2.24 5.03 -1.26 -5.04 115.26 109.17 1g1q n ASN 79 Ca 0.16 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.33 1g1q n ASN 79 Cb 0.28 -0.15 -0.09 0.00 -1.02 0.00 0.00 39.78 38.80 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 -0.11 2.27 0.56 3.52 0.41 -0.48 -3.86 118.70 121.01 1g1q s GLU 80 Ca 0.00 -1.07 -0.15 0.00 -0.41 0.00 0.00 54.97 53.34 1g1q s GLU 80 Cb 0.00 -2.33 -0.06 0.00 -1.78 0.00 0.00 34.13 29.96 1g1q s GLU 80 CO 0.00 0.48 1.01 -1.25 -0.49 0.00 0.00 175.26 175.01 1g1q s PRO 81 N -2.60 3.71 0.00 0.39 0.04 -1.26 -4.66 135.00 130.63 1g1q s PRO 81 Ca 0.25 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1g1q s PRO 81 Cb -0.10 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1g1q s PRO 81 CO 0.16 -0.47 0.61 0.27 0.04 0.00 0.00 177.00 177.61 1g1q n ASN 82 N -1.92 0.70 -4.96 6.66 6.94 -1.25 -5.05 115.26 116.38 1g1q n ASN 82 Ca 0.07 -1.32 -0.22 0.00 -0.02 0.00 0.00 54.58 53.10 1g1q n ASN 82 Cb 0.54 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.94 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 -0.32 6.32 0.00 0.53 0.01 -1.26 -5.02 114.94 115.20 1g1q s ASN 83 Ca 0.00 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1g1q s ASN 83 Cb 0.00 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.77 1g1q s ASN 83 CO 0.00 -0.10 0.00 0.29 -1.51 0.00 0.00 177.10 175.78 1g1q n LYS 84 N -1.44 1.54 -2.42 -0.60 4.76 -1.26 -5.02 118.16 113.71 1g1q n LYS 84 Ca -0.08 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.02 1g1q n LYS 84 Cb 0.57 -0.77 -0.03 0.00 -1.84 0.00 0.00 35.03 32.97 1g1q n LYS 84 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1g1q s ARG 85 N -1.53 3.71 0.32 1.97 0.52 -1.26 -4.99 118.95 117.69 1g1q s ARG 85 Ca 0.00 1.27 -0.26 0.00 -0.52 0.00 0.00 55.73 56.23 1g1q s ARG 85 Cb 0.00 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 33.24 1g1q s ARG 85 CO 0.00 -0.49 0.74 -1.71 0.02 0.00 0.00 175.30 173.85 1g1q n ASN 86 N -1.27 -0.04 -2.76 0.23 2.85 -1.26 -2.75 115.26 110.27 1g1q n ASN 86 Ca 0.09 1.07 -0.22 0.00 -0.11 0.00 0.00 54.58 55.41 1g1q n ASN 86 Cb 0.53 -1.16 0.02 0.00 1.24 0.00 0.00 39.78 40.41 1g1q n ASN 86 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1g1q n ASN 87 N 1.38 -6.04 -0.19 1.20 5.15 -1.26 -4.86 115.26 110.64 1g1q n ASN 87 Ca 0.12 -0.17 0.07 0.00 -0.60 0.00 0.00 54.58 54.00 1g1q n ASN 87 Cb 0.33 -4.94 0.10 0.00 -0.53 0.00 0.00 39.78 34.75 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 -3.60 0.91 -0.93 1.20 1.02 -1.11 -1.64 120.64 116.50 1g1q n GLU 88 Ca -0.17 -2.13 -0.08 0.00 -0.02 0.00 0.00 57.16 54.76 1g1q n GLU 88 Cb 0.65 -1.21 0.24 0.00 -0.02 0.00 0.00 31.44 31.09 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 -1.03 3.69 -4.83 1.62 5.75 -1.25 -3.60 116.55 116.90 1g1q n ASP 89 Ca 0.11 -3.47 -0.37 0.00 -0.01 0.00 0.00 54.79 51.05 1g1q n ASP 89 Cb 0.66 -0.71 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.18 2.78 0.06 0.00 1.01 -1.26 -0.36 120.40 121.45 1g1q s VAL 91 Ca 0.29 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1g1q s VAL 91 Cb -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1g1q s VAL 91 CO 0.17 0.56 0.02 -1.83 0.00 0.00 0.00 175.10 174.01 1g1q s GLU 92 N -0.21 2.69 -0.14 2.72 -1.05 -0.36 -1.51 118.70 120.84 1g1q s GLU 92 Ca -0.00 -0.74 -0.03 0.00 -0.15 0.00 0.00 54.97 54.05 1g1q s GLU 92 Cb -0.13 -2.62 -0.03 0.00 -0.44 0.00 0.00 34.13 30.91 1g1q s GLU 92 CO 0.03 0.57 -0.03 -1.50 0.95 0.00 0.00 175.26 175.28 1g1q s ILE 93 N -1.25 3.98 -1.29 1.83 2.07 0.23 -1.86 121.20 124.90 1g1q s ILE 93 Ca 0.24 -0.34 -0.17 0.00 -1.41 0.00 0.00 60.65 58.97 1g1q s ILE 93 Cb -0.12 -2.72 0.02 0.00 0.13 0.00 0.00 42.46 39.77 1g1q s ILE 93 CO 0.16 0.52 1.98 -1.22 -1.91 0.00 0.00 174.94 174.48 1g1q n TYR 94 N 3.18 3.68 -2.16 3.50 4.01 0.47 -3.31 117.16 126.54 1g1q n TYR 94 Ca -0.18 -2.64 -0.42 0.00 -0.16 0.00 0.00 57.90 54.50 1g1q n TYR 94 Cb 0.53 -2.49 -0.03 0.00 -0.31 0.00 0.00 39.34 37.03 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 4.55 3.64 -1.54 -0.72 -1.09 -1.26 -0.33 121.20 124.44 1g1q s ILE 95 Ca 0.53 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1g1q s ILE 95 Cb 0.09 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1g1q s ILE 95 CO 0.02 -0.02 0.00 0.29 -1.23 0.00 0.00 174.94 174.00 1g1q n LYS 96 N 5.82 -1.74 -1.91 2.79 5.02 -1.26 -4.63 118.16 122.25 1g1q n LYS 96 Ca 0.14 0.87 -0.41 0.00 -2.02 0.00 0.00 58.31 56.89 1g1q n LYS 96 Cb 0.43 -5.38 -0.02 0.00 -0.02 0.00 0.00 35.03 30.05 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 -2.18 6.53 0.50 4.39 0.15 -1.15 -4.90 113.70 117.05 1g1q s SER 97 Ca 0.00 2.81 0.26 0.00 0.70 0.00 0.00 55.95 59.72 1g1q s SER 97 Cb 0.00 -2.63 1.34 0.00 -1.71 0.00 0.00 66.02 63.02 1g1q s SER 97 CO 0.00 -0.79 2.03 1.55 1.20 0.00 0.00 173.24 177.23 1g1q h PRO 98 N 4.70 0.00 0.00 5.44 0.13 -1.93 -3.24 132.00 137.10 1g1q h PRO 98 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 1g1q h PRO 98 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1g1q h PRO 98 CO 0.76 0.14 -1.84 -1.13 -0.23 0.00 0.00 178.00 175.71 1g1q n SER 99 N -3.65 2.37 -3.14 1.44 3.41 -1.26 -4.85 113.62 107.94 1g1q n SER 99 Ca -0.02 -0.03 -0.19 0.00 -0.26 0.00 0.00 58.87 58.37 1g1q n SER 99 Cb 0.27 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.65 2.33 -1.59 7.33 0.00 -1.25 -5.11 120.51 119.56 1g1q n ALA 100 Ca -0.23 -3.53 -0.50 0.00 0.00 0.00 0.00 53.44 49.19 1g1q n ALA 100 Cb 0.85 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 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 0.21 1.27 0.00 0.00 -0.04 -1.22 -1.60 135.00 133.62 1g1q n PRO 101 Ca 0.25 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1g1q n PRO 101 Cb 0.64 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 2.30 1.76 3.76 0.55 0.00 0.55 -4.96 105.19 109.14 1g1q n GLY 102 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 2.09 0.10 1.61 3.01 -0.62 -4.51 119.74 121.41 1g1q s LYS 103 Ca 0.00 1.14 0.04 0.00 -1.01 0.00 0.00 55.97 56.14 1g1q s LYS 103 Cb 0.00 -1.88 -0.04 0.00 -1.01 0.00 0.00 37.83 34.90 1g1q s LYS 103 CO 0.00 -1.75 0.06 -1.58 0.51 0.00 0.00 175.35 172.58 1g1q s TRP 104 N -2.90 3.10 -0.12 3.18 0.51 0.22 -0.40 118.94 122.54 1g1q s TRP 104 Ca 0.62 0.02 -0.06 0.00 -2.12 0.00 0.00 56.10 54.55 1g1q s TRP 104 Cb -0.17 -1.56 0.05 0.00 -0.81 0.00 0.00 33.47 30.97 1g1q s TRP 104 CO 0.56 0.51 0.28 1.21 -0.51 0.00 0.00 176.95 179.00 1g1q s ASN 105 N -2.50 -0.32 0.40 2.95 2.47 -0.78 0.33 114.94 117.50 1g1q s ASN 105 Ca 0.28 0.60 -0.21 0.00 0.42 0.00 0.00 52.86 53.96 1g1q s ASN 105 Cb -0.12 0.49 -0.11 0.00 -1.45 0.00 0.00 41.25 40.07 1g1q s ASN 105 CO 0.21 -0.17 0.92 1.51 -3.72 0.00 0.00 177.10 175.85 1g1q s ASP 106 N 1.22 6.95 0.27 -4.21 -4.77 -1.26 -1.23 116.67 113.64 1g1q s ASP 106 Ca -0.09 1.64 -0.19 0.00 -3.30 0.00 0.00 52.55 50.62 1g1q s ASP 106 Cb -0.09 -2.52 0.01 0.00 -1.09 0.00 0.00 42.92 39.23 1g1q s ASP 106 CO -0.09 -0.31 0.65 -0.70 0.70 0.00 0.00 175.17 175.42 1g1q s GLU 107 N -3.05 1.71 0.19 2.11 2.56 0.51 -4.88 118.70 117.86 1g1q s GLU 107 Ca 0.60 -1.06 -0.31 0.00 0.00 0.00 0.00 54.97 54.20 1g1q s GLU 107 Cb -0.10 0.57 -0.10 0.00 2.00 0.00 0.00 34.13 36.50 1g1q s GLU 107 CO 0.15 -0.77 1.47 -1.58 -0.56 0.00 0.00 175.26 173.96 1g1q s HIS 108 N -3.95 3.09 -0.01 5.30 5.04 -1.26 -2.75 115.29 120.76 1g1q s HIS 108 Ca 0.14 0.89 0.29 0.00 -1.54 0.00 0.00 55.06 54.84 1g1q s HIS 108 Cb -0.04 -3.82 1.47 0.00 0.04 0.00 0.00 32.58 30.24 1g1q s HIS 108 CO 0.07 -2.82 1.88 0.00 -2.34 0.00 0.00 174.74 171.54 1g1q n LEU 110 N -2.55 1.30 -4.77 0.00 4.77 -1.26 -1.18 117.00 113.31 1g1q n LEU 110 Ca -0.01 -0.39 -0.40 0.00 -0.03 0.00 0.00 56.01 55.18 1g1q n LEU 110 Cb 0.11 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1g1q n LEU 110 CO 0.16 0.24 0.99 -0.54 -1.33 0.00 0.00 177.39 176.91 1g1q s LYS 111 N -2.43 4.15 -0.33 3.23 -0.14 -0.90 -4.66 119.74 118.67 1g1q s LYS 111 Ca 0.25 2.24 -0.20 0.00 -1.36 0.00 0.00 55.97 56.90 1g1q s LYS 111 Cb 0.19 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1g1q s LYS 111 CO 0.50 -0.37 0.64 0.15 -0.76 0.00 0.00 175.35 175.51 1g1q s LYS 112 N -2.03 3.81 0.29 1.68 1.02 -1.26 -4.04 119.74 119.20 1g1q s LYS 112 Ca 0.53 0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.75 1g1q s LYS 112 Cb -0.40 -3.76 -0.06 0.00 -0.52 0.00 0.00 37.83 33.09 1g1q s LYS 112 CO 0.53 -0.64 0.08 0.15 -0.92 0.00 0.00 175.35 174.54 1g1q s LYS 113 N 2.66 1.51 0.07 1.68 1.02 0.14 -4.55 119.74 122.26 1g1q s LYS 113 Ca 0.25 -1.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.13 1g1q s LYS 113 Cb -0.15 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1g1q s LYS 113 CO 0.13 -0.24 0.92 -1.01 -0.92 0.00 0.00 175.35 174.23 1g1q s HIS 114 N -3.55 3.76 0.09 3.18 3.76 -0.21 -0.12 115.29 122.21 1g1q s HIS 114 Ca 0.37 1.70 -0.31 0.00 -0.15 0.00 0.00 55.06 56.67 1g1q s HIS 114 Cb 0.08 -3.01 -0.07 0.00 1.11 0.00 0.00 32.58 30.69 1g1q s HIS 114 CO 0.14 0.18 1.34 0.00 -0.85 0.00 0.00 174.74 175.55 1g1q s ALA 115 N 0.20 3.54 -0.27 -1.40 0.00 -1.26 -0.54 121.76 122.02 1g1q s ALA 115 Ca 0.46 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 1g1q s ALA 115 Cb -0.22 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.43 1g1q s ALA 115 CO 0.28 -0.58 -0.05 -1.17 0.00 0.00 0.00 175.76 174.24 1g1q s LEU 116 N 1.17 3.53 0.38 0.00 2.96 -1.20 -1.32 118.68 124.20 1g1q s LEU 116 Ca 0.63 -1.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1g1q s LEU 116 Cb -0.34 -1.66 -0.06 0.00 0.50 0.00 0.00 46.19 44.63 1g1q s LEU 116 CO 0.30 -0.20 0.09 0.00 -1.32 0.00 0.00 176.35 175.22 1g1q s TYR 118 N -2.57 0.42 -0.23 0.00 1.13 -0.73 -0.62 117.35 114.75 1g1q s TYR 118 Ca 0.38 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.45 1g1q s TYR 118 Cb 0.03 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 1g1q s TYR 118 CO 0.21 -0.18 -0.13 0.99 -2.51 0.00 0.00 175.55 173.93 1g1q s THR 119 N -1.79 2.34 0.33 -3.49 2.01 0.17 -1.03 115.64 114.18 1g1q s THR 119 Ca -0.11 -1.19 -0.29 0.00 0.31 0.00 0.00 61.69 60.42 1g1q s THR 119 Cb -0.07 -2.17 -0.12 0.00 0.01 0.00 0.00 72.50 70.15 1g1q s THR 119 CO -0.02 0.26 1.42 0.00 -0.69 0.00 0.00 174.62 175.59 1g1q n ALA 120 N 4.57 1.82 0.03 7.40 0.00 -1.26 -1.47 120.51 131.60 1g1q n ALA 120 Ca -0.17 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1g1q n ALA 120 Cb 0.47 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 1g1q n ALA 120 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g1q h SER 121 N 3.24 0.27 -2.62 0.00 0.02 -1.90 -3.46 113.55 109.10 1g1q h SER 121 Ca -0.48 -0.46 -0.57 0.00 -0.84 0.00 0.00 61.79 59.45 1g1q h SER 121 Cb 1.26 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1g1q h SER 121 CO 0.67 1.39 1.23 0.00 -1.14 0.00 0.00 176.83 178.99 1g1q n GLN 123 N 8.08 1.12 0.08 0.00 1.13 -1.26 -5.01 117.38 121.52 1g1q n GLN 123 Ca 0.22 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 55.04 1g1q n GLN 123 Cb 0.45 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.65 1g1q n GLN 123 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1g1q h ASP 124 N 0.00 0.65 -0.37 1.08 1.82 -2.02 -3.32 116.42 114.26 1g1q h ASP 124 Ca 0.00 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.71 1g1q h ASP 124 Cb 0.00 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.80 1g1q h ASP 124 CO 0.00 1.74 0.00 0.23 -1.61 0.00 0.00 179.24 179.60 1g1q n MET 125 N -3.68 2.48 -1.75 0.28 2.81 -1.26 -4.78 117.12 111.22 1g1q n MET 125 Ca -0.23 -1.60 -0.33 0.00 -1.81 0.00 0.00 57.70 53.73 1g1q n MET 125 Cb 1.05 -1.58 0.05 0.00 -0.71 0.00 0.00 33.22 32.03 1g1q n MET 125 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1g1q s SER 126 N -0.76 5.03 -1.81 7.83 1.04 -1.25 -3.14 113.70 120.65 1g1q s SER 126 Ca 0.29 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1g1q s SER 126 Cb 0.18 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1g1q s SER 126 CO 0.15 -1.68 0.00 0.00 0.98 0.00 0.00 173.24 172.68 1g1q n SER 128 N -1.80 -4.71 -0.25 0.00 7.64 -1.07 -0.94 113.62 112.50 1g1q n SER 128 Ca -0.23 0.39 -0.03 0.00 1.01 0.00 0.00 58.87 60.01 1g1q n SER 128 Cb 0.67 -4.07 -0.01 0.00 -1.01 0.00 0.00 64.21 59.79 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 -1.85 -1.91 -0.48 1.43 5.02 -0.78 -4.76 118.16 114.83 1g1q n LYS 129 Ca -0.16 0.61 0.05 0.00 -2.02 0.00 0.00 58.31 56.79 1g1q n LYS 129 Cb 0.57 -5.09 0.21 0.00 -0.02 0.00 0.00 35.03 30.70 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 0.46 2.05 -3.80 1.97 6.02 -0.11 -5.02 117.38 118.95 1g1q n GLN 130 Ca -0.03 -2.93 -0.04 0.00 -0.01 0.00 0.00 57.00 53.99 1g1q n GLN 130 Cb 0.53 -1.73 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 -2.49 -0.09 -0.20 1.08 0.00 -1.14 -1.53 107.32 102.94 1g1q s GLY 131 Ca 0.40 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.94 1g1q s GLY 131 CO 0.03 0.72 0.19 1.85 0.00 0.00 0.00 173.10 175.89 1g1q s GLU 132 N -2.87 4.19 -0.01 2.90 2.12 0.34 -4.85 118.70 120.52 1g1q s GLU 132 Ca 0.15 -0.13 -0.23 0.00 0.36 0.00 0.00 54.97 55.13 1g1q s GLU 132 Cb -0.02 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1g1q s GLU 132 CO 0.04 0.23 0.69 0.00 -0.54 0.00 0.00 175.26 175.68 1g1q s LEU 134 N 0.20 1.71 0.33 0.00 1.43 -0.63 -4.99 118.68 116.74 1g1q s LEU 134 Ca 0.36 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1g1q s LEU 134 Cb -0.19 -1.16 -0.10 0.00 0.03 0.00 0.00 46.19 44.77 1g1q s LEU 134 CO 0.19 -0.03 1.33 -1.61 0.23 0.00 0.00 176.35 176.46 1g1q s GLU 135 N 1.31 4.33 0.28 1.70 0.41 -1.26 -1.54 118.70 123.93 1g1q s GLU 135 Ca 0.01 2.25 0.02 0.00 -0.41 0.00 0.00 54.97 56.84 1g1q s GLU 135 Cb -0.14 -3.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.11 1g1q s GLU 135 CO -0.08 -0.23 0.14 0.95 -0.49 0.00 0.00 175.26 175.55 1g1q s THR 136 N -1.06 0.38 -0.24 3.63 -4.23 -0.67 -4.83 115.64 108.62 1g1q s THR 136 Ca 0.50 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1g1q s THR 136 Cb -0.40 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 1g1q s THR 136 CO 0.53 0.00 2.23 -0.63 -0.54 0.00 0.00 174.62 176.21 1g1q s ILE 137 N -3.70 3.01 0.00 2.99 1.01 -1.26 -1.74 121.20 121.50 1g1q s ILE 137 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1g1q s ILE 137 Cb 0.06 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1g1q s ILE 137 CO 0.16 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1g1q n GLY 138 N 5.79 0.37 0.00 6.18 0.00 0.96 -4.90 105.19 113.58 1g1q n GLY 138 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.30 0.00 -3.69 1.61 5.15 -0.87 -4.75 115.26 112.40 1g1q n ASN 139 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1g1q n ASN 139 Cb 0.15 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.38 1g1q n ASN 139 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1g1q s TYR 140 N -1.32 -0.29 0.31 1.20 1.13 -1.26 -0.96 117.35 116.15 1g1q s TYR 140 Ca 0.00 -0.06 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1g1q s TYR 140 Cb 0.00 0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 41.41 1g1q s TYR 140 CO 0.00 -1.05 0.10 0.95 -2.51 0.00 0.00 175.55 173.04 1g1q s THR 141 N -3.85 0.70 -0.03 -3.49 -4.23 -0.59 -4.89 115.64 99.25 1g1q s THR 141 Ca 0.07 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1g1q s THR 141 Cb -0.03 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1g1q s THR 141 CO -0.02 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 173.90 1g1q s SER 143 N -0.18 5.32 0.51 0.00 0.01 -0.15 -4.92 113.70 114.29 1g1q s SER 143 Ca 0.02 -1.87 -0.22 0.00 1.31 0.00 0.00 55.95 55.18 1g1q s SER 143 Cb -0.09 -1.86 -0.06 0.00 0.21 0.00 0.00 66.02 64.23 1g1q s SER 143 CO 0.01 -0.53 1.26 0.00 0.41 0.00 0.00 173.24 174.38 1g1q s TYR 145 N -1.44 3.46 0.10 0.00 2.02 -0.59 -4.87 117.35 116.03 1g1q s TYR 145 Ca 0.68 1.45 -0.36 0.00 -0.37 0.00 0.00 57.07 58.47 1g1q s TYR 145 Cb -0.34 -2.78 -0.17 0.00 -0.40 0.00 0.00 41.96 38.27 1g1q s TYR 145 CO 0.41 -0.36 1.32 -2.30 -1.57 0.00 0.00 175.55 173.04 1g1q n PRO 146 N -1.59 1.13 -0.04 -1.71 -0.02 -1.26 -1.45 135.00 130.06 1g1q n PRO 146 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1g1q n PRO 146 Cb 0.54 -2.03 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 2.45 0.51 3.23 -1.23 0.00 -1.26 -5.07 105.19 103.82 1g1q n GLY 147 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.08 1.33 0.27 1.61 0.40 -0.53 -1.66 117.98 117.32 1g1q s PHE 148 Ca 0.00 -0.58 -0.20 0.00 -0.60 0.00 0.00 56.93 55.55 1g1q s PHE 148 Cb 0.00 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.85 1g1q s PHE 148 CO 0.00 0.12 0.69 1.52 0.70 0.00 0.00 175.22 178.24 1g1q s TYR 149 N -2.22 -0.16 0.00 0.36 1.13 -0.53 -4.64 117.35 111.28 1g1q s TYR 149 Ca 0.08 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 1g1q s TYR 149 Cb -0.04 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.47 1g1q s TYR 149 CO 0.02 -1.19 0.00 0.41 -2.51 0.00 0.00 175.55 172.28 1g1q n GLY 150 N -0.45 2.65 0.28 5.49 0.00 -1.26 -0.69 105.19 111.21 1g1q n GLY 150 Ca -0.05 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 -0.22 1.61 0.13 -2.01 -1.53 132.00 129.98 1g1q h PRO 151 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1g1q h PRO 151 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1g1q h PRO 151 CO 0.00 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.19 1g1q n GLU 152 N -3.96 2.71 -2.72 0.86 -0.58 -1.26 -4.19 120.64 111.49 1g1q n GLU 152 Ca -0.03 -2.30 -0.19 0.00 -0.42 0.00 0.00 57.16 54.23 1g1q n GLU 152 Cb 0.12 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 -3.30 0.27 -4.16 0.00 0.00 -1.07 -4.43 120.64 107.95 1g1q n GLU 154 Ca -0.14 0.01 -0.32 0.00 0.00 0.00 0.00 57.16 56.70 1g1q n GLU 154 Cb 0.62 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.49 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 -2.72 3.19 -0.17 -1.84 2.02 0.13 -4.98 117.35 112.98 1g1q s TYR 155 Ca 0.23 0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 57.06 1g1q s TYR 155 Cb 0.19 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1g1q s TYR 155 CO 0.48 0.51 -0.12 0.08 -1.57 0.00 0.00 175.55 174.93 1g1q s VAL 156 N -1.19 2.89 0.34 0.71 1.01 -1.26 -1.46 120.40 121.45 1g1q s VAL 156 Ca 0.23 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1g1q s VAL 156 Cb -0.12 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 1g1q s VAL 156 CO 0.14 0.50 1.17 -0.13 0.00 0.00 0.00 175.10 176.78 1g1q s ARG 157 N 0.93 4.34 -0.24 2.72 1.81 -0.66 -4.99 118.95 122.85 1g1q s ARG 157 Ca -0.02 1.90 -0.23 0.00 -1.72 0.00 0.00 55.73 55.66 1g1q s ARG 157 Cb -0.15 -2.94 -0.01 0.00 -0.45 0.00 0.00 34.95 31.40 1g1q s ARG 157 CO -0.01 -0.09 0.74 -0.51 -0.68 0.00 0.00 175.30 174.75 1g1q s ASP 158 N -0.91 6.73 -0.21 0.23 1.01 -1.26 -4.92 116.67 117.34 1g1q s ASP 158 Ca 0.51 0.90 -0.03 0.00 0.71 0.00 0.00 52.55 54.64 1g1q s ASP 158 Cb -0.33 -2.39 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 1g1q s ASP 158 CO 0.42 -0.44 -0.21 -0.90 0.21 0.00 0.00 175.17 174.25 1g1q n ASP 159 N 5.82 2.13 0.00 0.27 5.75 -1.26 -5.22 116.55 124.03 1g1q n ASP 159 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1g1q n ASP 159 Cb 0.48 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1g1q n ASP 159 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19