#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 3.52 -0.02 -1.67 -4.23 -0.54 0.14 115.64 112.84 1g1q s THR 2 Ca 0.00 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1g1q s THR 2 Cb 0.00 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1g1q s THR 2 CO 0.00 0.04 0.06 -0.31 -0.54 0.00 0.00 174.62 173.87 1g1q s TYR 3 N -1.40 3.25 0.06 3.99 2.02 -1.26 -0.64 117.35 123.37 1g1q s TYR 3 Ca 0.24 0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 57.07 1g1q s TYR 3 Cb -0.10 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1g1q s TYR 3 CO 0.16 0.54 0.13 -1.01 -1.57 0.00 0.00 175.55 173.79 1g1q s HIS 4 N -1.14 0.21 0.01 2.71 3.76 0.43 -4.97 115.29 116.30 1g1q s HIS 4 Ca 0.21 -0.60 -0.08 0.00 -0.15 0.00 0.00 55.06 54.44 1g1q s HIS 4 Cb -0.12 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.44 1g1q s HIS 4 CO 0.12 -0.45 0.16 1.52 -0.85 0.00 0.00 174.74 175.24 1g1q s TYR 5 N -3.35 0.02 -0.06 1.40 1.13 -1.26 0.19 117.35 115.42 1g1q s TYR 5 Ca 0.01 -0.12 -0.24 0.00 -1.41 0.00 0.00 57.07 55.32 1g1q s TYR 5 Cb 0.03 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.82 1g1q s TYR 5 CO -0.08 -0.32 0.73 -1.54 -2.51 0.00 0.00 175.55 171.83 1g1q s SER 6 N -1.48 7.03 0.00 -0.18 1.04 -0.76 -4.95 113.70 114.40 1g1q s SER 6 Ca -0.13 1.23 0.11 0.00 0.48 0.00 0.00 55.95 57.64 1g1q s SER 6 Cb -0.06 -2.43 0.66 0.00 0.10 0.00 0.00 66.02 64.28 1g1q s SER 6 CO 0.01 -0.13 1.16 0.35 0.98 0.00 0.00 173.24 175.62 1g1q n THR 7 N 3.77 0.00 -4.07 2.02 -2.24 -1.26 -4.38 114.28 108.13 1g1q n THR 7 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1g1q n THR 7 Cb 0.51 -0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.46 0.33 -0.78 -0.14 -1.26 -5.12 119.74 111.23 1g1q s LYS 8 Ca 0.16 -0.59 -0.18 0.00 -1.36 0.00 0.00 55.97 54.00 1g1q s LYS 8 Cb 0.08 -0.26 -0.09 0.00 -1.68 0.00 0.00 37.83 35.87 1g1q s LYS 8 CO 0.13 0.05 0.81 0.00 -0.76 0.00 0.00 175.35 175.57 1g1q s ALA 9 N -1.06 3.26 0.23 5.17 0.00 -1.26 -4.47 121.76 123.63 1g1q s ALA 9 Ca -0.08 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 1g1q s ALA 9 Cb -0.08 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1g1q s ALA 9 CO 0.00 0.27 0.40 0.71 0.00 0.00 0.00 175.76 177.14 1g1q s TYR 10 N -1.92 0.51 0.09 0.00 2.02 -1.10 -4.79 117.35 112.16 1g1q s TYR 10 Ca 0.54 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1g1q s TYR 10 Cb -0.12 0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.50 1g1q s TYR 10 CO 0.17 -0.91 0.06 -1.13 -1.57 0.00 0.00 175.55 172.18 1g1q n SER 11 N -0.35 -1.79 0.08 2.29 3.41 -1.25 -1.78 113.62 114.23 1g1q n SER 11 Ca -0.01 -0.22 -0.22 0.00 -0.26 0.00 0.00 58.87 58.16 1g1q n SER 11 Cb 0.63 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.93 0.87 -0.43 7.33 7.01 -1.60 -2.08 115.95 125.11 1g1q h TRP 12 Ca -0.03 -0.57 -0.14 0.00 2.11 0.00 0.00 58.89 60.27 1g1q h TRP 12 Cb 0.08 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1g1q h TRP 12 CO 0.00 1.42 -0.28 -0.91 -2.79 0.00 0.00 178.44 175.88 1g1q h ASN 13 N 0.08 0.96 -0.06 2.65 2.35 -1.92 -0.44 115.58 119.19 1g1q h ASN 13 Ca -0.18 -0.39 -0.14 0.00 -0.55 0.00 0.00 56.30 55.04 1g1q h ASN 13 Cb 1.82 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 1g1q h ASN 13 CO 0.21 1.17 -0.44 0.40 -1.65 0.00 0.00 177.43 177.13 1g1q h ILE 14 N 0.78 1.30 -0.42 2.81 2.04 -1.92 -1.83 117.51 120.28 1g1q h ILE 14 Ca 0.09 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 1g1q h ILE 14 Cb 0.85 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1g1q h ILE 14 CO 0.08 0.51 0.04 0.28 0.00 0.00 0.00 178.15 179.06 1g1q h SER 15 N 0.49 0.62 0.14 1.72 0.02 -1.10 -0.50 113.55 114.93 1g1q h SER 15 Ca 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1g1q h SER 15 Cb 0.96 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1g1q h SER 15 CO 0.09 0.66 -0.07 -0.09 -1.14 0.00 0.00 176.83 176.28 1g1q h ARG 16 N 0.63 -0.19 -0.90 3.45 2.43 -0.81 -2.53 114.38 116.47 1g1q h ARG 16 Ca 0.14 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.48 1g1q h ARG 16 Cb 0.33 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1g1q h ARG 16 CO 0.01 0.26 0.58 -0.22 -1.51 0.00 0.00 179.97 179.09 1g1q h LYS 17 N -0.86 0.60 0.56 0.20 1.63 -1.32 0.11 116.57 117.50 1g1q h LYS 17 Ca -0.02 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1g1q h LYS 17 Cb 0.53 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1g1q h LYS 17 CO 0.03 0.40 -0.40 -0.92 -3.45 0.00 0.00 179.45 175.11 1g1q h TYR 18 N 0.62 -1.09 0.39 1.91 5.03 -1.03 -1.29 116.97 121.52 1g1q h TYR 18 Ca 0.46 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.76 1g1q h TYR 18 Cb 0.84 0.40 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 1g1q h TYR 18 CO -0.00 -0.59 -0.26 0.00 -1.32 0.00 0.00 178.16 175.98 1g1q h GLN 20 N -0.64 0.14 0.17 0.00 4.20 -0.73 0.61 115.11 118.87 1g1q h GLN 20 Ca -0.04 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.34 1g1q h GLN 20 Cb 0.53 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1g1q h GLN 20 CO 0.03 0.09 -1.58 -0.91 -0.67 0.00 0.00 178.83 175.79 1g1q h ASN 21 N 0.15 0.58 0.52 1.46 -0.26 -0.89 -3.38 115.58 113.75 1g1q h ASN 21 Ca 0.75 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1g1q h ASN 21 Cb 2.37 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 39.44 1g1q h ASN 21 CO -0.34 1.72 -0.86 0.54 -1.06 0.00 0.00 177.43 177.43 1g1q n ARG 22 N -3.73 0.23 0.00 0.81 1.74 -0.65 -4.99 116.66 110.08 1g1q n ARG 22 Ca -0.23 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1g1q n ARG 22 Cb 1.02 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.91 0.00 -0.06 -1.55 4.01 0.20 -5.08 117.16 112.77 1g1q n TYR 23 Ca 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.72 1g1q n TYR 23 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.12 -2.68 -0.72 -1.04 -0.78 -4.57 114.28 105.60 1g1q n THR 24 Ca 0.00 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1g1q n THR 24 Cb 0.00 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.32 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 -4.07 0.00 -4.75 8.00 -0.08 -1.18 -4.07 116.55 110.39 1g1q n ASP 25 Ca -0.07 -0.39 -0.40 0.00 -1.51 0.00 0.00 54.79 52.42 1g1q n ASP 25 Cb 0.25 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.66 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 4.60 0.19 -2.67 1.43 -1.26 -2.34 118.68 118.62 1g1q s LEU 26 Ca 0.00 1.82 -0.31 0.00 -1.03 0.00 0.00 54.13 54.61 1g1q s LEU 26 Cb 0.00 -3.51 -0.16 0.00 0.03 0.00 0.00 46.19 42.55 1g1q s LEU 26 CO 0.00 0.12 0.89 1.33 0.23 0.00 0.00 176.35 178.93 1g1q n VAL 27 N 1.83 1.41 -4.26 -1.59 0.24 -0.22 -3.55 118.33 112.19 1g1q n VAL 27 Ca -0.02 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.62 1g1q n VAL 27 Cb 0.48 -0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.64 3.16 0.01 2.33 0.00 -1.26 -0.69 121.76 124.67 1g1q s ALA 28 Ca 0.69 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1g1q s ALA 28 Cb -0.90 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1g1q s ALA 28 CO 0.56 0.66 -0.25 0.42 0.00 0.00 0.00 175.76 177.15 1g1q s ILE 29 N -1.18 2.23 -0.01 0.00 1.01 -1.26 -5.02 121.20 116.98 1g1q s ILE 29 Ca 0.22 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1g1q s ILE 29 Cb -0.11 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1g1q s ILE 29 CO 0.13 0.47 -0.00 0.00 0.00 0.00 0.00 174.94 175.55 1g1q n GLN 30 N 2.08 2.91 -4.00 2.79 6.02 -1.26 -4.81 117.38 121.11 1g1q n GLN 30 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.73 1g1q n GLN 30 Cb 0.52 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.71 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 -3.33 -0.02 0.55 1.08 2.20 -1.26 -3.30 114.94 110.85 1g1q s ASN 31 Ca -0.00 -0.97 0.33 0.00 -0.94 0.00 0.00 52.86 51.27 1g1q s ASN 31 Cb 0.00 0.60 1.49 0.00 -2.00 0.00 0.00 41.25 41.34 1g1q s ASN 31 CO 0.02 -1.17 2.04 0.11 -2.94 0.00 0.00 177.10 175.16 1g1q h LYS 32 N 2.23 0.00 -0.78 3.55 1.79 -1.87 -2.86 116.57 118.63 1g1q h LYS 32 Ca -0.26 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 1g1q h LYS 32 Cb 1.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 1g1q h LYS 32 CO 0.35 0.06 0.30 -0.91 -1.08 0.00 0.00 179.45 178.18 1g1q h ASN 33 N 0.00 1.08 -0.55 0.86 2.35 -1.96 -0.30 115.58 117.06 1g1q h ASN 33 Ca -0.00 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1g1q h ASN 33 Cb 0.44 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1g1q h ASN 33 CO 0.01 0.96 0.18 -0.33 -1.65 0.00 0.00 177.43 176.60 1g1q h GLU 34 N 1.13 0.85 -0.01 0.81 5.08 -1.93 0.15 114.58 120.66 1g1q h GLU 34 Ca 0.26 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1g1q h GLU 34 Cb 0.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1g1q h GLU 34 CO -0.02 0.77 0.00 0.82 -1.00 0.00 0.00 179.01 179.58 1g1q h ILE 35 N 0.76 1.14 -0.67 3.13 2.04 -1.50 0.49 117.51 122.91 1g1q h ILE 35 Ca 0.18 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.71 1g1q h ILE 35 Cb 0.27 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1g1q h ILE 35 CO -0.01 0.11 0.29 -0.78 0.00 0.00 0.00 178.15 177.76 1g1q h ASP 36 N -0.16 0.33 0.86 1.72 1.82 -0.85 0.23 116.42 120.37 1g1q h ASP 36 Ca 0.00 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1g1q h ASP 36 Cb 0.18 0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.23 1g1q h ASP 36 CO -0.00 0.18 -0.41 0.22 -1.61 0.00 0.00 179.24 177.61 1g1q h TYR 37 N 0.49 -1.07 -0.49 0.28 3.20 -0.01 -2.90 116.97 116.46 1g1q h TYR 37 Ca 0.34 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.28 1g1q h TYR 37 Cb 0.42 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 1g1q h TYR 37 CO -0.14 -0.67 -0.07 -0.07 -1.64 0.00 0.00 178.16 175.57 1g1q h LEU 38 N -1.20 -0.34 -2.24 2.82 3.38 0.31 0.35 115.31 118.40 1g1q h LEU 38 Ca -0.12 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1g1q h LEU 38 Cb 0.89 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1g1q h LEU 38 CO 0.19 -0.12 0.25 -1.13 0.09 0.00 0.00 178.44 177.72 1g1q h ASN 39 N 0.05 0.00 0.00 -0.43 -1.24 -0.51 -2.13 115.58 111.32 1g1q h ASN 39 Ca 0.24 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.13 1g1q h ASN 39 Cb 0.37 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.40 1g1q h ASN 39 CO -0.46 0.00 -1.95 2.29 -1.29 0.00 0.00 177.43 176.01 1g1q n LYS 40 N -3.25 0.83 -0.09 6.67 2.85 0.04 -4.39 118.16 120.82 1g1q n LYS 40 Ca -0.00 -0.10 -0.17 0.00 -1.05 0.00 0.00 58.31 56.99 1g1q n LYS 40 Cb 0.34 -1.43 -0.10 0.00 -0.65 0.00 0.00 35.03 33.19 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 0.00 1.02 -3.25 0.58 -1.51 -0.99 -3.47 116.25 108.64 1g1q h VAL 41 Ca -0.18 -2.04 -0.57 0.00 -1.23 0.00 0.00 66.70 62.67 1g1q h VAL 41 Cb 1.31 2.21 0.13 0.00 -2.13 0.00 0.00 31.29 32.80 1g1q h VAL 41 CO 0.01 0.35 0.31 0.18 -1.23 0.00 0.00 177.57 177.19 1g1q n LEU 42 N -4.52 3.23 -4.90 4.19 4.77 -0.83 -5.00 117.00 113.94 1g1q n LEU 42 Ca -0.22 1.08 -0.29 0.00 -0.03 0.00 0.00 56.01 56.55 1g1q n LEU 42 Cb 0.55 -1.42 0.06 0.00 -2.33 0.00 0.00 43.42 40.28 1g1q n LEU 42 CO 0.21 -1.09 0.72 -2.16 -1.33 0.00 0.00 177.39 173.74 1g1q s PRO 43 N -2.08 2.52 -0.18 3.23 0.04 -1.26 -4.93 135.00 132.33 1g1q s PRO 43 Ca 0.62 0.21 -0.23 0.00 0.04 0.00 0.00 61.00 61.64 1g1q s PRO 43 Cb -0.54 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1g1q s PRO 43 CO 0.57 -1.19 0.72 -0.47 0.04 0.00 0.00 177.00 176.68 1g1q s TYR 44 N -3.37 3.40 -0.13 0.56 5.04 -1.26 -4.94 117.35 116.65 1g1q s TYR 44 Ca 0.59 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 56.29 1g1q s TYR 44 Cb -0.11 -2.89 0.03 0.00 0.35 0.00 0.00 41.96 39.34 1g1q s TYR 44 CO 0.49 -0.19 -0.05 0.71 -1.34 0.00 0.00 175.55 175.18 1g1q s TYR 45 N 1.96 1.37 0.64 4.97 2.02 -1.26 -5.02 117.35 122.03 1g1q s TYR 45 Ca 0.33 -0.75 0.29 0.00 -0.37 0.00 0.00 57.07 56.57 1g1q s TYR 45 Cb -0.16 -1.17 1.57 0.00 -0.40 0.00 0.00 41.96 41.80 1g1q s TYR 45 CO 0.12 -0.52 1.92 0.66 -1.57 0.00 0.00 175.55 176.15 1g1q h SER 46 N 8.19 0.00 1.29 2.29 4.64 -1.96 0.43 113.55 128.43 1g1q h SER 46 Ca -0.25 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 1g1q h SER 46 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1g1q h SER 46 CO 0.37 0.00 -0.73 0.28 -0.87 0.00 0.00 176.83 175.88 1g1q h SER 47 N 0.00 0.00 -3.57 4.97 0.02 -1.95 -3.50 113.55 109.52 1g1q h SER 47 Ca 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1g1q h SER 47 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1g1q h SER 47 CO -0.00 0.19 -0.03 -1.22 -1.14 0.00 0.00 176.83 174.63 1g1q n TYR 48 N -2.92 -1.50 -4.39 3.45 4.01 0.15 -4.73 117.16 111.23 1g1q n TYR 48 Ca -0.00 0.09 -0.24 0.00 -0.16 0.00 0.00 57.90 57.59 1g1q n TYR 48 Cb 0.63 -0.13 -0.09 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 -0.34 2.47 0.27 -0.72 1.51 -1.24 -1.11 117.35 118.18 1g1q s TYR 49 Ca 0.00 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.83 1g1q s TYR 49 Cb 0.00 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1g1q s TYR 49 CO 0.00 0.67 0.39 -1.58 -1.11 0.00 0.00 175.55 173.92 1g1q s TRP 50 N -2.41 3.33 0.01 2.71 0.52 0.17 -0.93 118.94 122.35 1g1q s TRP 50 Ca 0.30 -0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.35 1g1q s TRP 50 Cb -0.06 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1g1q s TRP 50 CO 0.17 0.31 -0.03 0.96 0.02 0.00 0.00 176.95 178.38 1g1q s ILE 51 N -2.05 0.19 0.00 2.03 -4.36 -1.08 -2.97 121.20 112.97 1g1q s ILE 51 Ca 0.37 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 1g1q s ILE 51 Cb -0.09 -0.22 0.00 0.00 1.25 0.00 0.00 42.46 43.40 1g1q s ILE 51 CO 0.29 -0.12 0.09 0.61 0.24 0.00 0.00 174.94 176.06 1g1q n GLY 52 N 2.54 0.57 3.36 6.27 0.00 0.13 -4.62 105.19 113.44 1g1q n GLY 52 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 1.85 2.41 0.09 -0.61 2.07 -1.26 0.30 121.20 126.05 1g1q s ILE 53 Ca 0.00 -0.97 -0.00 0.00 -1.41 0.00 0.00 60.65 58.27 1g1q s ILE 53 Cb 0.00 -1.88 -0.04 0.00 0.13 0.00 0.00 42.46 40.67 1g1q s ILE 53 CO 0.00 0.58 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.46 1g1q s ARG 54 N -0.57 0.76 -0.19 3.50 1.81 0.63 -4.19 118.95 120.70 1g1q s ARG 54 Ca 0.08 -1.31 -0.12 0.00 -1.72 0.00 0.00 55.73 52.66 1g1q s ARG 54 Cb -0.11 0.09 -0.05 0.00 -0.45 0.00 0.00 34.95 34.43 1g1q s ARG 54 CO 0.00 -0.12 0.22 0.21 -0.68 0.00 0.00 175.30 174.93 1g1q s LYS 55 N -3.93 4.21 0.00 3.54 2.20 -1.24 0.13 119.74 124.65 1g1q s LYS 55 Ca 0.13 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1g1q s LYS 55 Cb 0.07 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1g1q s LYS 55 CO -0.05 0.22 0.00 -1.71 -0.36 0.00 0.00 175.35 173.45 1g1q n ASN 56 N 3.70 0.00 0.00 1.43 2.85 -0.50 -4.93 115.26 117.81 1g1q n ASN 56 Ca -0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1g1q n ASN 56 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1g1q n ASN 56 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1g1q n ASN 57 N 0.00 0.00 -1.16 1.20 2.85 -1.26 -4.73 115.26 112.16 1g1q n ASN 57 Ca 0.00 0.30 0.02 0.00 -0.11 0.00 0.00 54.58 54.79 1g1q n ASN 57 Cb 0.00 -0.24 0.01 0.00 1.24 0.00 0.00 39.78 40.79 1g1q n ASN 57 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1g1q n LYS 58 N -1.22 0.00 -3.94 1.20 4.76 -1.26 -5.04 118.16 112.67 1g1q n LYS 58 Ca 0.00 -1.62 -0.30 0.00 -2.87 0.00 0.00 58.31 53.53 1g1q n LYS 58 Cb 0.00 -0.13 -0.16 0.00 -1.84 0.00 0.00 35.03 32.90 1g1q n LYS 58 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1g1q s THR 59 N 0.00 1.41 0.10 -0.18 2.01 -1.26 -5.11 115.64 112.61 1g1q s THR 59 Ca 0.22 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1g1q s THR 59 Cb 0.25 -1.59 -0.08 0.00 0.01 0.00 0.00 72.50 71.10 1g1q s THR 59 CO -0.11 0.07 1.37 0.26 -0.69 0.00 0.00 174.62 175.52 1g1q s TRP 60 N 1.48 3.24 0.02 4.92 0.52 -1.26 -1.41 118.94 126.45 1g1q s TRP 60 Ca -0.02 0.98 0.05 0.00 0.02 0.00 0.00 56.10 57.13 1g1q s TRP 60 Cb -0.17 -3.65 -0.02 0.00 -1.15 0.00 0.00 33.47 28.48 1g1q s TRP 60 CO -0.07 -2.27 -0.15 0.99 0.02 0.00 0.00 176.95 175.46 1g1q s THR 61 N 1.17 1.21 -0.11 2.01 2.01 0.35 -1.41 115.64 120.87 1g1q s THR 61 Ca 0.64 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 1g1q s THR 61 Cb -0.36 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1g1q s THR 61 CO 0.30 0.16 0.91 0.26 -0.69 0.00 0.00 174.62 175.56 1g1q s TRP 62 N -0.65 3.51 0.13 4.92 0.52 -0.13 -0.27 118.94 126.97 1g1q s TRP 62 Ca 0.04 1.46 -0.15 0.00 0.02 0.00 0.00 56.10 57.47 1g1q s TRP 62 Cb -0.07 -3.08 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1g1q s TRP 62 CO 0.01 -0.17 1.58 -0.39 0.02 0.00 0.00 176.95 178.00 1g1q h VAL 63 N 5.06 1.26 -0.10 4.03 -1.51 -0.49 0.35 116.25 124.84 1g1q h VAL 63 Ca -0.33 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.08 1g1q h VAL 63 Cb 1.16 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1g1q h VAL 63 CO 0.83 0.33 -0.30 1.23 -1.23 0.00 0.00 177.57 178.42 1g1q h GLY 64 N 0.53 0.21 0.00 5.19 0.00 -1.79 -3.30 103.07 103.92 1g1q h GLY 64 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1g1q h GLY 64 CO 0.02 0.15 -0.73 -1.30 0.00 0.00 0.00 176.54 174.68 1g1q n THR 65 N -4.13 0.00 -1.23 4.70 -2.24 -1.21 -5.00 114.28 105.17 1g1q n THR 65 Ca -0.01 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1g1q n THR 65 Cb 0.39 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.40 -0.89 -3.64 -0.78 4.01 0.12 -5.00 118.16 110.59 1g1q n LYS 66 Ca 0.01 0.72 -0.32 0.00 -0.51 0.00 0.00 58.31 58.20 1g1q n LYS 66 Cb 0.17 -4.66 -0.05 0.00 -0.51 0.00 0.00 35.03 29.99 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 -2.42 3.65 0.17 1.97 1.02 -1.22 -4.84 119.74 118.07 1g1q s LYS 67 Ca 0.00 -0.02 -0.24 0.00 0.02 0.00 0.00 55.97 55.74 1g1q s LYS 67 Cb 0.00 -2.87 -0.08 0.00 -0.52 0.00 0.00 37.83 34.36 1g1q s LYS 67 CO 0.00 0.48 0.75 0.00 -0.92 0.00 0.00 175.35 175.66 1g1q s ALA 68 N -1.61 3.45 0.32 5.17 0.00 -1.26 -0.96 121.76 126.87 1g1q s ALA 68 Ca 0.40 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 1g1q s ALA 68 Cb -0.12 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 1g1q s ALA 68 CO 0.23 0.31 1.12 -0.11 0.00 0.00 0.00 175.76 177.30 1g1q n LEU 69 N 1.44 2.51 -4.63 0.00 7.94 -0.50 -4.95 117.00 118.82 1g1q n LEU 69 Ca -0.05 1.18 -0.26 0.00 -1.11 0.00 0.00 56.01 55.77 1g1q n LEU 69 Cb 0.49 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 42.98 1g1q n LEU 69 CO 0.45 -1.05 -0.29 0.42 -1.11 0.00 0.00 177.39 175.81 1g1q s THR 70 N -1.09 2.35 0.37 1.96 -4.23 -1.26 -5.00 115.64 108.75 1g1q s THR 70 Ca 0.58 -1.98 0.13 0.00 -1.18 0.00 0.00 61.69 59.23 1g1q s THR 70 Cb -0.64 -2.85 0.10 0.00 1.34 0.00 0.00 72.50 70.45 1g1q s THR 70 CO 0.61 -0.12 1.83 0.78 -0.54 0.00 0.00 174.62 177.18 1g1q h ASN 71 N 1.78 0.00 -0.47 3.99 2.35 -1.94 -1.03 115.58 120.25 1g1q h ASN 71 Ca -0.43 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1g1q h ASN 71 Cb 1.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.59 1g1q h ASN 71 CO 0.71 0.36 0.21 -0.33 -1.65 0.00 0.00 177.43 176.73 1g1q h GLU 72 N 0.00 0.74 0.03 0.81 3.07 -1.95 -3.26 114.58 114.02 1g1q h GLU 72 Ca -0.00 -0.11 -0.36 0.00 -0.50 0.00 0.00 59.36 58.39 1g1q h GLU 72 Cb 0.65 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 1g1q h GLU 72 CO 0.05 0.61 -2.21 0.00 -1.40 0.00 0.00 179.01 176.06 1g1q n ALA 73 N -2.46 1.32 -1.74 3.43 0.00 -1.08 -3.27 120.51 116.71 1g1q n ALA 73 Ca 0.04 -0.97 -0.67 0.00 0.00 0.00 0.00 53.44 51.84 1g1q n ALA 73 Cb 0.16 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 1g1q n ALA 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1g1q n GLU 74 N -3.17 0.01 -2.75 0.00 0.00 -0.41 -4.82 120.64 109.50 1g1q n GLU 74 Ca -0.35 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 56.78 1g1q n GLU 74 Cb 1.05 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 31.05 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 3.87 0.77 -4.72 4.31 5.15 -1.26 -4.99 115.26 118.39 1g1q n ASN 75 Ca 0.30 -2.30 -0.41 0.00 -0.60 0.00 0.00 54.58 51.57 1g1q n ASN 75 Cb -0.05 -0.19 0.01 0.00 -0.53 0.00 0.00 39.78 39.02 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 -0.57 2.33 -1.40 1.20 7.02 -1.26 -0.97 117.44 123.79 1g1q n TRP 76 Ca 0.03 0.49 -0.29 0.00 -1.02 0.00 0.00 57.50 56.71 1g1q n TRP 76 Cb 0.82 -2.41 0.13 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 -1.18 1.71 -0.25 6.99 0.00 -0.13 -4.59 121.76 124.31 1g1q s ALA 77 Ca 0.60 -0.31 -0.39 0.00 0.00 0.00 0.00 51.96 51.86 1g1q s ALA 77 Cb -0.50 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 1g1q s ALA 77 CO 0.59 -2.24 1.77 -0.25 0.00 0.00 0.00 175.76 175.63 1g1q n ASP 78 N -3.77 2.58 0.00 0.00 8.00 -1.26 -1.93 116.55 120.17 1g1q n ASP 78 Ca 0.06 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1g1q n ASP 78 Cb 0.57 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 5.61 0.00 -4.77 -2.24 5.03 -1.26 -5.04 115.26 112.58 1g1q n ASN 79 Ca 0.26 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.38 1g1q n ASN 79 Cb 0.16 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.96 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 -0.18 2.92 -0.06 3.52 0.41 -0.81 -4.28 118.70 120.21 1g1q s GLU 80 Ca 0.00 1.40 -0.30 0.00 -0.41 0.00 0.00 54.97 55.66 1g1q s GLU 80 Cb 0.00 -1.96 -0.02 0.00 -1.78 0.00 0.00 34.13 30.36 1g1q s GLU 80 CO 0.00 -1.16 1.03 -1.25 -0.49 0.00 0.00 175.26 173.39 1g1q s PRO 81 N -3.99 4.46 -0.01 0.39 0.04 -1.26 -4.70 135.00 129.93 1g1q s PRO 81 Ca 0.67 1.45 0.11 0.00 0.04 0.00 0.00 61.00 63.27 1g1q s PRO 81 Cb -0.21 -3.51 0.32 0.00 0.04 0.00 0.00 34.50 31.15 1g1q s PRO 81 CO 0.39 -0.24 1.26 0.27 0.04 0.00 0.00 177.00 178.73 1g1q n ASN 82 N 4.61 2.98 -4.95 6.66 6.94 -1.26 -5.03 115.26 125.21 1g1q n ASN 82 Ca 0.08 -2.07 -0.24 0.00 -0.02 0.00 0.00 54.58 52.33 1g1q n ASN 82 Cb 0.49 -0.25 -0.02 0.00 -2.36 0.00 0.00 39.78 37.64 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 -1.06 6.32 0.00 0.53 0.01 -1.26 -5.01 114.94 114.47 1g1q s ASN 83 Ca 0.24 0.36 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 1g1q s ASN 83 Cb 0.13 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.80 1g1q s ASN 83 CO 0.15 -0.20 0.01 1.17 -1.51 0.00 0.00 177.10 176.72 1g1q n LYS 84 N -1.50 1.10 -3.24 -0.60 3.00 -1.26 -5.07 118.16 110.60 1g1q n LYS 84 Ca -0.06 -0.01 -0.38 0.00 -0.00 0.00 0.00 58.31 57.87 1g1q n LYS 84 Cb 0.56 -0.14 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 1g1q n LYS 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1g1q s ARG 85 N -0.16 4.20 0.51 1.64 3.52 -1.26 -5.04 118.95 122.35 1g1q s ARG 85 Ca 0.00 0.75 -0.22 0.00 -0.13 0.00 0.00 55.73 56.13 1g1q s ARG 85 Cb 0.00 -3.13 -0.08 0.00 -1.56 0.00 0.00 34.95 30.18 1g1q s ARG 85 CO 0.00 0.57 1.08 -1.71 -0.81 0.00 0.00 175.30 174.43 1g1q n ASN 86 N 1.39 1.46 -1.31 -2.12 5.15 -1.26 -2.61 115.26 115.96 1g1q n ASN 86 Ca -0.08 0.95 -0.10 0.00 -0.60 0.00 0.00 54.58 54.75 1g1q n ASN 86 Cb 0.51 -1.42 0.01 0.00 -0.53 0.00 0.00 39.78 38.35 1g1q n ASN 86 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1g1q n ASN 87 N -0.20 -3.47 -0.13 1.20 5.15 -1.26 -4.91 115.26 111.64 1g1q n ASN 87 Ca 0.11 -0.07 0.01 0.00 -0.60 0.00 0.00 54.58 54.03 1g1q n ASN 87 Cb 0.43 -2.55 0.02 0.00 -0.53 0.00 0.00 39.78 37.14 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 -2.09 0.76 -0.48 1.20 1.02 -1.07 -3.18 120.64 116.79 1g1q n GLU 88 Ca -0.08 -1.05 -0.05 0.00 -0.02 0.00 0.00 57.16 55.96 1g1q n GLU 88 Cb 0.57 -0.71 0.12 0.00 -0.02 0.00 0.00 31.44 31.40 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 -0.26 3.24 -4.81 1.62 5.75 -1.26 -4.28 116.55 116.55 1g1q n ASP 89 Ca 0.02 -2.59 -0.37 0.00 -0.01 0.00 0.00 54.79 51.84 1g1q n ASP 89 Cb 0.51 -0.62 -0.06 0.00 -1.03 0.00 0.00 41.12 39.91 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 -0.48 3.00 0.38 0.00 1.01 -1.26 -1.46 120.40 121.58 1g1q s VAL 91 Ca 0.17 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1g1q s VAL 91 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1g1q s VAL 91 CO 0.06 0.27 0.19 -1.83 0.00 0.00 0.00 175.10 173.80 1g1q s GLU 92 N -1.66 2.34 -0.10 2.72 -1.05 -0.41 -2.64 118.70 117.89 1g1q s GLU 92 Ca 0.16 -1.66 -0.00 0.00 -0.15 0.00 0.00 54.97 53.32 1g1q s GLU 92 Cb -0.11 -2.13 0.02 0.00 -0.44 0.00 0.00 34.13 31.48 1g1q s GLU 92 CO 0.08 -0.03 -0.07 -1.50 0.95 0.00 0.00 175.26 174.69 1g1q s ILE 93 N -2.50 0.96 -0.47 1.83 2.07 -0.11 -2.46 121.20 120.52 1g1q s ILE 93 Ca 0.41 -0.26 -0.18 0.00 -1.41 0.00 0.00 60.65 59.21 1g1q s ILE 93 Cb -0.00 -0.98 -0.17 0.00 0.13 0.00 0.00 42.46 41.44 1g1q s ILE 93 CO 0.23 0.35 1.73 -1.22 -1.91 0.00 0.00 174.94 174.12 1g1q n TYR 94 N 4.86 0.98 -1.88 3.50 4.01 0.25 -3.70 117.16 125.17 1g1q n TYR 94 Ca -0.13 -1.28 -0.43 0.00 -0.16 0.00 0.00 57.90 55.90 1g1q n TYR 94 Cb 0.50 -1.27 -0.03 0.00 -0.31 0.00 0.00 39.34 38.23 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 5.22 3.36 -1.44 -0.72 -1.09 -1.26 -0.85 121.20 124.41 1g1q s ILE 95 Ca 0.48 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1g1q s ILE 95 Cb 0.12 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1g1q s ILE 95 CO 0.13 -0.19 0.00 0.29 -1.23 0.00 0.00 174.94 173.94 1g1q n LYS 96 N 8.08 -1.29 -2.26 2.79 5.02 -1.26 -4.66 118.16 124.58 1g1q n LYS 96 Ca 0.23 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.92 1g1q n LYS 96 Cb 0.45 -5.22 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 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 -2.32 6.89 0.54 4.39 0.15 -1.00 -4.89 113.70 117.47 1g1q s SER 97 Ca 0.00 2.14 0.23 0.00 0.70 0.00 0.00 55.95 59.02 1g1q s SER 97 Cb 0.00 -2.57 1.44 0.00 -1.71 0.00 0.00 66.02 63.18 1g1q s SER 97 CO 0.00 -0.65 2.09 1.55 1.20 0.00 0.00 173.24 177.43 1g1q h PRO 98 N 7.37 0.00 0.00 5.44 0.13 -1.93 -2.27 132.00 140.74 1g1q h PRO 98 Ca -0.39 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 1g1q h PRO 98 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1g1q h PRO 98 CO 0.88 0.00 -0.75 0.66 -0.23 0.00 0.00 178.00 178.55 1g1q h SER 99 N 0.00 0.00 -2.05 1.44 4.64 -1.98 -3.44 113.55 112.16 1g1q h SER 99 Ca 0.10 -0.52 -0.52 0.00 -0.47 0.00 0.00 61.79 60.38 1g1q h SER 99 Cb 0.45 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.14 1g1q h SER 99 CO -0.00 1.20 -1.07 0.00 -0.87 0.00 0.00 176.83 176.09 1g1q n ALA 100 N -3.20 2.60 -1.68 5.18 0.00 -1.21 -5.11 120.51 117.08 1g1q n ALA 100 Ca -0.21 -3.67 -0.50 0.00 0.00 0.00 0.00 53.44 49.06 1g1q n ALA 100 Cb 0.53 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 0.42 1.93 -0.04 0.00 -0.04 -0.86 -1.87 135.00 134.53 1g1q n PRO 101 Ca 0.25 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1g1q n PRO 101 Cb 0.58 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 4.16 0.71 3.88 0.55 0.00 -0.03 -4.94 105.19 109.52 1g1q n GLY 102 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.76 3.61 0.37 1.61 3.01 -0.78 -4.68 119.74 122.11 1g1q s LYS 103 Ca 0.00 0.59 0.07 0.00 -1.01 0.00 0.00 55.97 55.62 1g1q s LYS 103 Cb 0.00 -2.18 -0.00 0.00 -1.01 0.00 0.00 37.83 34.64 1g1q s LYS 103 CO 0.00 -0.43 0.48 -1.58 0.51 0.00 0.00 175.35 174.33 1g1q s TRP 104 N -3.00 2.97 -0.29 3.18 0.51 -0.14 -0.58 118.94 121.58 1g1q s TRP 104 Ca 0.53 -0.30 -0.15 0.00 -2.12 0.00 0.00 56.10 54.06 1g1q s TRP 104 Cb -0.11 -2.12 0.12 0.00 -0.81 0.00 0.00 33.47 30.56 1g1q s TRP 104 CO 0.50 -0.14 0.81 1.21 -0.51 0.00 0.00 176.95 178.82 1g1q s ASN 105 N -4.22 -0.80 -0.37 2.95 2.47 -1.03 -0.96 114.94 112.98 1g1q s ASN 105 Ca 0.48 1.22 -0.29 0.00 0.42 0.00 0.00 52.86 54.69 1g1q s ASN 105 Cb -0.09 1.56 0.02 0.00 -1.45 0.00 0.00 41.25 41.29 1g1q s ASN 105 CO 0.31 -0.18 1.17 1.51 -3.72 0.00 0.00 177.10 176.19 1g1q s ASP 106 N 1.93 6.73 0.49 -4.21 1.47 -1.26 -1.29 116.67 120.53 1g1q s ASP 106 Ca -0.08 0.88 0.04 0.00 1.18 0.00 0.00 52.55 54.57 1g1q s ASP 106 Cb -0.06 -2.54 -0.01 0.00 -0.34 0.00 0.00 42.92 39.96 1g1q s ASP 106 CO -0.18 -1.09 0.14 -0.70 0.68 0.00 0.00 175.17 174.03 1g1q s GLU 107 N 4.12 2.20 0.00 2.11 2.56 -0.54 -4.76 118.70 124.40 1g1q s GLU 107 Ca 0.50 -2.18 -0.30 0.00 0.00 0.00 0.00 54.97 52.99 1g1q s GLU 107 Cb -0.12 -1.77 -0.05 0.00 2.00 0.00 0.00 34.13 34.20 1g1q s GLU 107 CO 0.24 -0.36 1.22 -1.58 -0.56 0.00 0.00 175.26 174.21 1g1q s HIS 108 N -2.79 3.26 -0.36 5.30 5.04 -1.26 -3.88 115.29 120.61 1g1q s HIS 108 Ca 0.22 1.21 0.04 0.00 -1.54 0.00 0.00 55.06 54.99 1g1q s HIS 108 Cb 0.02 -3.45 0.22 0.00 0.04 0.00 0.00 32.58 29.41 1g1q s HIS 108 CO 0.12 -1.42 0.93 0.00 -2.34 0.00 0.00 174.74 172.04 1g1q n LEU 110 N -1.52 1.10 -4.67 0.00 4.77 -1.26 -2.23 117.00 113.19 1g1q n LEU 110 Ca -0.00 -0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 55.19 1g1q n LEU 110 Cb 0.27 -0.04 0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1g1q n LEU 110 CO 0.02 0.25 0.68 0.29 -1.33 0.00 0.00 177.39 177.30 1g1q n LYS 111 N -1.21 -0.05 -3.43 3.23 4.76 -0.13 -4.66 118.16 116.68 1g1q n LYS 111 Ca 0.05 0.06 -0.44 0.00 -2.87 0.00 0.00 58.31 55.12 1g1q n LYS 111 Cb 0.36 -2.38 -0.07 0.00 -1.84 0.00 0.00 35.03 31.10 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 -4.23 2.75 0.07 1.97 1.02 -1.26 -3.91 119.74 116.14 1g1q s LYS 112 Ca 0.70 -1.73 0.07 0.00 0.02 0.00 0.00 55.97 55.03 1g1q s LYS 112 Cb -0.27 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 32.89 1g1q s LYS 112 CO 0.54 -1.26 -0.18 0.15 -0.92 0.00 0.00 175.35 173.68 1g1q s LYS 113 N 1.49 1.07 0.53 1.68 1.02 -0.74 -4.60 119.74 120.19 1g1q s LYS 113 Ca 0.04 -1.01 -0.22 0.00 0.02 0.00 0.00 55.97 54.80 1g1q s LYS 113 Cb -0.28 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 35.77 1g1q s LYS 113 CO 0.01 0.29 1.37 -1.01 -0.92 0.00 0.00 175.35 175.10 1g1q s HIS 114 N -1.07 2.29 0.05 3.18 3.76 -0.26 -2.71 115.29 120.53 1g1q s HIS 114 Ca 0.04 1.35 -0.24 0.00 -0.15 0.00 0.00 55.06 56.06 1g1q s HIS 114 Cb -0.09 -3.83 -0.06 0.00 1.11 0.00 0.00 32.58 29.70 1g1q s HIS 114 CO 0.03 -2.95 0.72 0.00 -0.85 0.00 0.00 174.74 171.68 1g1q s ALA 115 N -1.28 3.42 -0.30 -1.40 0.00 -1.26 0.46 121.76 121.40 1g1q s ALA 115 Ca 0.70 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1g1q s ALA 115 Cb -0.41 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1g1q s ALA 115 CO 0.49 0.13 0.06 -1.17 0.00 0.00 0.00 175.76 175.27 1g1q s LEU 116 N -0.27 3.87 0.34 0.00 2.96 -1.16 -1.82 118.68 122.60 1g1q s LEU 116 Ca 0.36 -0.90 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1g1q s LEU 116 Cb -0.20 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1g1q s LEU 116 CO 0.22 -0.22 0.10 0.00 -1.32 0.00 0.00 176.35 175.12 1g1q s TYR 118 N -2.45 0.14 -0.29 0.00 1.13 -0.99 -0.43 117.35 114.47 1g1q s TYR 118 Ca 0.37 -0.28 -0.01 0.00 -1.41 0.00 0.00 57.07 55.74 1g1q s TYR 118 Cb -0.02 -0.11 0.05 0.00 -1.10 0.00 0.00 41.96 40.78 1g1q s TYR 118 CO 0.22 -0.14 -0.03 0.99 -2.51 0.00 0.00 175.55 174.08 1g1q s THR 119 N -0.94 2.83 -0.35 -3.49 2.01 0.19 -1.87 115.64 114.02 1g1q s THR 119 Ca -0.10 -1.37 -0.38 0.00 0.31 0.00 0.00 61.69 60.14 1g1q s THR 119 Cb -0.06 -2.60 -0.14 0.00 0.01 0.00 0.00 72.50 69.71 1g1q s THR 119 CO -0.00 -0.05 2.06 0.00 -0.69 0.00 0.00 174.62 175.94 1g1q n ALA 120 N 4.60 0.60 0.21 7.40 0.00 -1.26 -1.47 120.51 130.59 1g1q n ALA 120 Ca -0.14 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1g1q n ALA 120 Cb 0.44 -2.38 0.47 0.00 0.00 0.00 0.00 19.45 17.97 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 10.41 0.00 -2.49 0.00 0.02 -1.86 -3.42 113.55 116.20 1g1q h SER 121 Ca -0.30 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.11 1g1q h SER 121 Cb 1.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 1g1q h SER 121 CO 1.02 0.24 1.28 0.00 -1.14 0.00 0.00 176.83 178.22 1g1q n GLN 123 N 8.65 0.98 -0.01 0.00 1.13 -1.26 -4.99 117.38 121.89 1g1q n GLN 123 Ca 0.21 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 55.11 1g1q n GLN 123 Cb 0.49 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.73 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 0.44 -0.11 1.08 3.58 -2.00 -3.25 116.42 116.16 1g1q h ASP 124 Ca 0.00 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1g1q h ASP 124 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1g1q h ASP 124 CO 0.00 1.14 0.00 0.23 -2.88 0.00 0.00 179.24 177.73 1g1q n MET 125 N -4.31 1.26 -2.16 0.28 2.81 -1.26 -4.51 117.12 109.23 1g1q n MET 125 Ca -0.10 -0.41 -0.42 0.00 -1.81 0.00 0.00 57.70 54.96 1g1q n MET 125 Cb 0.61 -1.09 -0.03 0.00 -0.71 0.00 0.00 33.22 32.01 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 -1.00 6.81 -1.36 7.83 0.01 -1.23 -2.32 113.70 122.44 1g1q s SER 126 Ca 0.08 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1g1q s SER 126 Cb 0.04 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1g1q s SER 126 CO 0.05 -0.65 0.00 0.00 0.41 0.00 0.00 173.24 173.05 1g1q n SER 128 N -0.82 -5.22 -2.32 0.00 7.64 -0.98 -0.82 113.62 111.10 1g1q n SER 128 Ca -0.13 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1g1q n SER 128 Cb 0.53 -4.51 -0.01 0.00 -1.01 0.00 0.00 64.21 59.21 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 -2.58 -2.01 -0.36 1.43 5.02 -1.06 -4.79 118.16 113.81 1g1q n LYS 129 Ca -0.21 0.71 0.05 0.00 -2.02 0.00 0.00 58.31 56.85 1g1q n LYS 129 Cb 0.65 -5.29 0.08 0.00 -0.02 0.00 0.00 35.03 30.45 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 -2.75 0.70 -3.82 1.97 6.02 -0.00 -5.07 117.38 114.42 1g1q n GLN 130 Ca -0.17 -1.94 -0.01 0.00 -0.01 0.00 0.00 57.00 54.88 1g1q n GLN 130 Cb 0.61 -1.01 0.01 0.00 1.02 0.00 0.00 30.24 30.87 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 -2.07 -0.13 -0.03 1.08 0.00 -1.22 -1.65 107.32 103.30 1g1q s GLY 131 Ca 0.19 0.08 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 1g1q s GLY 131 CO 0.00 2.27 0.28 1.85 0.00 0.00 0.00 173.10 177.50 1g1q s GLU 132 N -2.38 3.65 -0.19 2.90 2.12 0.28 -4.87 118.70 120.22 1g1q s GLU 132 Ca 0.20 0.08 -0.15 0.00 0.36 0.00 0.00 54.97 55.46 1g1q s GLU 132 Cb -0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1g1q s GLU 132 CO 0.01 0.69 0.35 0.00 -0.54 0.00 0.00 175.26 175.77 1g1q s LEU 134 N 0.98 2.69 0.33 0.00 1.02 -0.36 -4.98 118.68 118.37 1g1q s LEU 134 Ca 0.18 -0.39 -0.27 0.00 0.02 0.00 0.00 54.13 53.66 1g1q s LEU 134 Cb -0.14 -1.63 -0.09 0.00 0.02 0.00 0.00 46.19 44.35 1g1q s LEU 134 CO 0.06 0.09 1.10 -1.61 0.02 0.00 0.00 176.35 176.01 1g1q s GLU 135 N 0.81 4.42 0.38 1.70 0.41 -1.26 -1.19 118.70 123.97 1g1q s GLU 135 Ca -0.04 1.74 0.05 0.00 -0.41 0.00 0.00 54.97 56.31 1g1q s GLU 135 Cb -0.15 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.24 1g1q s GLU 135 CO 0.01 0.03 0.18 0.95 -0.49 0.00 0.00 175.26 175.94 1g1q s THR 136 N -1.33 0.35 -0.42 3.63 -4.23 -0.06 -4.86 115.64 108.72 1g1q s THR 136 Ca 0.50 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.74 1g1q s THR 136 Cb -0.29 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1g1q s THR 136 CO 0.37 0.00 2.04 -0.63 -0.54 0.00 0.00 174.62 175.86 1g1q s ILE 137 N -3.31 3.25 -0.88 2.99 1.01 -1.26 -1.93 121.20 121.06 1g1q s ILE 137 Ca 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1g1q s ILE 137 Cb 0.02 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1g1q s ILE 137 CO 0.19 -0.37 0.16 0.61 0.00 0.00 0.00 174.94 175.53 1g1q n GLY 138 N 5.70 -0.02 0.00 6.18 0.00 0.12 -4.90 105.19 112.27 1g1q n GLY 138 Ca 0.27 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.54 1.61 5.15 -1.10 -4.81 115.26 112.27 1g1q n ASN 139 Ca -0.10 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.82 1g1q n ASN 139 Cb 0.58 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.83 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 -3.49 -0.07 0.31 1.20 1.13 -1.26 -0.88 117.35 114.28 1g1q s TYR 140 Ca 0.00 -0.41 0.04 0.00 -1.41 0.00 0.00 57.07 55.28 1g1q s TYR 140 Cb 0.00 0.73 -0.03 0.00 -1.10 0.00 0.00 41.96 41.56 1g1q s TYR 140 CO 0.00 -1.23 0.18 0.95 -2.51 0.00 0.00 175.55 172.95 1g1q s THR 141 N -3.21 0.23 -0.03 -3.49 -4.23 -0.33 -4.89 115.64 99.68 1g1q s THR 141 Ca 0.13 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1g1q s THR 141 Cb -0.05 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 1g1q s THR 141 CO 0.07 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 174.03 1g1q s SER 143 N 0.09 5.18 0.59 0.00 0.01 -0.39 -4.93 113.70 114.26 1g1q s SER 143 Ca -0.02 -1.45 -0.16 0.00 1.31 0.00 0.00 55.95 55.62 1g1q s SER 143 Cb -0.09 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 1g1q s SER 143 CO 0.01 -0.38 1.08 0.00 0.41 0.00 0.00 173.24 174.36 1g1q s TYR 145 N -2.29 3.53 0.23 0.00 2.02 -0.66 -4.83 117.35 115.35 1g1q s TYR 145 Ca 0.66 1.23 -0.30 0.00 -0.37 0.00 0.00 57.07 58.29 1g1q s TYR 145 Cb -0.18 -2.63 -0.15 0.00 -0.40 0.00 0.00 41.96 38.59 1g1q s TYR 145 CO 0.35 -0.41 1.01 -2.30 -1.57 0.00 0.00 175.55 172.63 1g1q n PRO 146 N -2.01 1.08 -0.56 -1.71 -0.02 -1.26 -1.58 135.00 128.94 1g1q n PRO 146 Ca 0.05 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1g1q n PRO 146 Cb 0.54 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.64 1.06 3.25 -1.23 0.00 -1.26 -5.04 105.19 103.62 1g1q n GLY 147 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.25 1.72 0.30 1.61 0.40 -0.61 -1.33 117.98 116.81 1g1q s PHE 148 Ca 0.00 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1g1q s PHE 148 Cb 0.00 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.55 1g1q s PHE 148 CO 0.00 0.14 0.51 1.52 0.70 0.00 0.00 175.22 178.08 1g1q s TYR 149 N -0.99 0.59 0.00 0.36 1.13 -0.40 -4.58 117.35 113.46 1g1q s TYR 149 Ca 0.06 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 1g1q s TYR 149 Cb -0.09 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1g1q s TYR 149 CO 0.03 -1.11 0.00 0.41 -2.51 0.00 0.00 175.55 172.37 1g1q n GLY 150 N -0.46 2.38 0.32 5.49 0.00 -1.26 -1.03 105.19 110.64 1g1q n GLY 150 Ca -0.01 -1.98 0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.02 1.61 0.13 -2.01 -0.52 132.00 131.19 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 0.00 -0.09 0.39 -0.23 0.00 0.00 178.00 178.07 1g1q n GLU 152 N -3.88 1.44 -2.77 0.86 -0.58 -1.26 -4.37 120.64 110.08 1g1q n GLU 152 Ca 0.01 -2.73 -0.16 0.00 -0.42 0.00 0.00 57.16 53.86 1g1q n GLU 152 Cb 0.27 -1.55 -0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 -3.14 0.16 -3.92 0.00 0.00 -0.96 -4.39 120.64 108.38 1g1q n GLU 154 Ca -0.10 0.16 -0.34 0.00 0.00 0.00 0.00 57.16 56.89 1g1q n GLU 154 Cb 0.58 -1.69 -0.05 0.00 0.00 0.00 0.00 31.44 30.28 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 -3.08 3.53 -0.20 -1.84 2.02 -0.19 -4.97 117.35 112.62 1g1q s TYR 155 Ca 0.11 0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 57.18 1g1q s TYR 155 Cb 0.14 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1g1q s TYR 155 CO 0.54 0.65 -0.14 0.08 -1.57 0.00 0.00 175.55 175.12 1g1q s VAL 156 N -1.25 2.49 0.29 0.71 1.01 -1.26 -1.28 120.40 121.11 1g1q s VAL 156 Ca 0.24 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1g1q s VAL 156 Cb -0.12 -2.13 -0.13 0.00 0.00 0.00 0.00 36.38 34.00 1g1q s VAL 156 CO 0.15 0.43 1.27 0.54 0.00 0.00 0.00 175.10 177.49 1g1q n ARG 157 N 4.66 1.90 -0.02 2.72 5.12 -0.44 -4.94 116.66 125.65 1g1q n ARG 157 Ca -0.19 0.67 -0.16 0.00 -1.93 0.00 0.00 57.85 56.24 1g1q n ARG 157 Cb 0.49 -2.23 -0.12 0.00 -1.16 0.00 0.00 32.46 29.44 1g1q n ARG 157 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1g1q h ASP 158 N 3.02 0.21 -3.67 0.55 3.32 -1.99 -3.46 116.42 114.40 1g1q h ASP 158 Ca -0.44 -0.87 -0.68 0.00 0.02 0.00 0.00 57.03 55.06 1g1q h ASP 158 Cb 1.29 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.60 1g1q h ASP 158 CO 0.67 1.05 -0.72 -1.81 -1.72 0.00 0.00 179.24 176.71 1g1q s ASP 159 N -6.41 4.45 0.00 6.45 1.01 -1.26 -5.27 116.67 115.65 1g1q s ASP 159 Ca -0.16 -0.22 0.31 0.00 0.71 0.00 0.00 52.55 53.19 1g1q s ASP 159 Cb -0.00 -0.97 1.68 0.00 1.01 0.00 0.00 42.92 44.63 1g1q s ASP 159 CO 0.74 0.27 2.10 0.47 0.21 0.00 0.00 175.17 178.96