#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghu n SER 59 N 0.00 -7.44 0.11 1.61 7.64 -1.26 -4.57 113.62 109.71 1ghu n SER 59 Ca 0.00 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1ghu n SER 59 Cb 0.00 -4.96 0.00 0.00 -1.01 0.00 0.00 64.21 58.24 1ghu n SER 59 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1ghu n TRP 60 N 0.84 -1.95 -2.84 1.43 4.27 -1.26 -4.61 117.44 113.32 1ghu n TRP 60 Ca -0.03 0.34 -0.41 0.00 -3.89 0.00 0.00 57.50 53.51 1ghu n TRP 60 Cb 0.09 0.51 -0.04 0.00 -1.36 0.00 0.00 31.31 30.52 1ghu n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1ghu s PHE 61 N -1.83 3.55 0.00 -2.67 5.36 -1.26 -1.22 117.98 119.91 1ghu s PHE 61 Ca 0.00 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1ghu s PHE 61 Cb 0.00 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1ghu s PHE 61 CO 0.00 -0.08 0.00 1.19 -1.46 0.00 0.00 175.22 174.87 1ghu n PHE 62 N 4.42 0.00 0.00 10.12 3.01 -1.17 -5.00 117.46 128.84 1ghu n PHE 62 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1ghu n PHE 62 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1ghu n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ghu n GLY 63 N 2.47 1.35 3.26 1.37 0.00 -1.26 -5.07 105.19 107.31 1ghu n GLY 63 Ca 0.00 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1ghu n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ghu s LYS 64 N 4.81 3.49 0.12 1.61 2.47 -1.26 -1.71 119.74 129.27 1ghu s LYS 64 Ca 0.00 -2.72 0.07 0.00 -1.56 0.00 0.00 55.97 51.76 1ghu s LYS 64 Cb 0.00 -4.27 -0.04 0.00 -1.46 0.00 0.00 37.83 32.06 1ghu s LYS 64 CO 0.00 -1.26 -0.17 0.96 0.16 0.00 0.00 175.35 175.04 1ghu s ILE 65 N -0.33 1.55 1.04 5.43 -4.36 -1.23 -4.95 121.20 118.36 1ghu s ILE 65 Ca 0.21 -1.69 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1ghu s ILE 65 Cb -0.12 -1.58 0.23 0.00 1.25 0.00 0.00 42.46 42.24 1ghu s ILE 65 CO -0.08 -0.27 1.27 -2.16 0.24 0.00 0.00 174.94 173.94 1ghu s PRO 66 N -2.41 0.03 0.17 0.37 0.04 -1.26 -4.11 135.00 127.83 1ghu s PRO 66 Ca 0.09 -0.36 -0.11 0.00 0.04 0.00 0.00 61.00 60.66 1ghu s PRO 66 Cb -0.07 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.75 1ghu s PRO 66 CO 0.04 -2.83 1.65 -0.09 0.04 0.00 0.00 177.00 175.81 1ghu h ARG 67 N -1.94 0.95 -0.66 4.56 2.43 -2.00 -3.13 114.38 114.58 1ghu h ARG 67 Ca -0.44 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.40 1ghu h ARG 67 Cb 1.24 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1ghu h ARG 67 CO 0.35 0.92 0.19 0.00 -1.51 0.00 0.00 179.97 179.92 1ghu h ALA 68 N 0.99 0.87 -0.64 2.80 0.00 -1.99 -1.49 119.26 119.82 1ghu h ALA 68 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ghu h ALA 68 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ghu h ALA 68 CO 0.01 0.56 0.16 -0.22 0.00 0.00 0.00 179.25 179.77 1ghu h LYS 69 N 0.97 0.99 -0.47 0.00 3.64 -1.97 -2.05 116.57 117.69 1ghu h LYS 69 Ca 0.21 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1ghu h LYS 69 Cb 0.32 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1ghu h LYS 69 CO -0.00 0.87 -0.14 0.00 -2.27 0.00 0.00 179.45 177.92 1ghu h ALA 70 N 1.23 0.66 -0.51 5.00 0.00 -1.48 -2.86 119.26 121.30 1ghu h ALA 70 Ca 0.20 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1ghu h ALA 70 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ghu h ALA 70 CO -0.00 0.58 0.08 0.93 0.00 0.00 0.00 179.25 180.84 1ghu h GLU 71 N 0.78 0.79 -0.14 0.00 5.08 -1.30 -2.72 114.58 117.07 1ghu h GLU 71 Ca 0.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ghu h GLU 71 Cb 0.69 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ghu h GLU 71 CO 0.05 0.75 0.05 1.49 -1.00 0.00 0.00 179.01 180.34 1ghu h GLU 72 N 0.76 0.21 -0.23 2.33 4.57 -1.40 -1.84 114.58 118.98 1ghu h GLU 72 Ca 0.16 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1ghu h GLU 72 Cb 0.34 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1ghu h GLU 72 CO 0.01 0.33 0.13 0.52 -1.18 0.00 0.00 179.01 178.81 1ghu h MET 73 N 0.04 0.32 0.00 1.92 2.86 -1.56 -3.28 114.93 115.23 1ghu h MET 73 Ca 0.04 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1ghu h MET 73 Cb 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1ghu h MET 73 CO -0.00 0.29 -0.34 -0.07 1.06 0.00 0.00 176.91 177.85 1ghu h LEU 74 N 0.26 0.00 -1.23 1.22 3.38 -1.57 -3.24 115.31 114.13 1ghu h LEU 74 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ghu h LEU 74 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ghu h LEU 74 CO -0.01 0.34 0.27 0.77 0.09 0.00 0.00 178.44 179.89 1ghu h SER 75 N 0.00 0.72 -0.62 -0.43 4.64 -1.39 -2.93 113.55 113.54 1ghu h SER 75 Ca -0.00 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ghu h SER 75 Cb 1.02 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1ghu h SER 75 CO 0.04 0.62 0.38 0.11 -0.87 0.00 0.00 176.83 177.11 1ghu h LYS 76 N 0.80 0.86 -6.31 4.77 1.57 -1.61 -3.42 116.57 113.22 1ghu h LYS 76 Ca 0.20 -0.07 -0.54 0.00 -1.87 0.00 0.00 60.65 58.36 1ghu h LYS 76 Cb 0.09 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1ghu h LYS 76 CO -0.03 0.60 1.13 -0.65 -0.57 0.00 0.00 179.45 179.93 1ghu s GLN 77 N -5.65 4.17 0.28 3.15 1.11 -1.11 -4.95 119.66 116.65 1ghu s GLN 77 Ca -0.10 2.34 0.26 0.00 0.01 0.00 0.00 55.36 57.86 1ghu s GLN 77 Cb 0.17 -4.01 0.78 0.00 -1.01 0.00 0.00 33.01 28.95 1ghu s GLN 77 CO 0.77 -0.87 1.75 0.07 0.01 0.00 0.00 175.29 177.02 1ghu h ARG 78 N 9.76 0.00 -6.45 2.91 0.11 -1.84 -3.49 114.38 115.38 1ghu h ARG 78 Ca -0.43 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.11 1ghu h ARG 78 Cb 1.20 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.25 1ghu h ARG 78 CO 0.95 0.00 -0.06 -1.01 0.10 0.00 0.00 179.97 179.95 1ghu s HIS 79 N -3.18 3.49 -0.10 4.08 3.76 -1.26 -4.91 115.29 117.17 1ghu s HIS 79 Ca 0.08 1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 55.72 1ghu s HIS 79 Cb 0.10 -2.36 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1ghu s HIS 79 CO 0.58 0.30 1.12 -0.51 -0.85 0.00 0.00 174.74 175.38 1ghu s ASP 80 N -2.07 7.12 0.00 1.40 1.11 -1.26 -3.35 116.67 119.62 1ghu s ASP 80 Ca 0.45 1.66 0.00 0.00 0.18 0.00 0.00 52.55 54.83 1ghu s ASP 80 Cb -0.13 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.31 1ghu s ASP 80 CO 0.20 -0.55 0.00 0.61 1.18 0.00 0.00 175.17 176.60 1ghu n GLY 81 N 3.28 2.28 3.57 0.21 0.00 -0.19 -4.68 105.19 109.66 1ghu n GLY 81 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 1ghu n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu n ALA 82 N -0.01 1.36 -2.29 4.61 0.00 -1.16 -1.70 120.51 121.32 1ghu n ALA 82 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 1ghu n ALA 82 Cb 0.00 -2.70 -0.10 0.00 0.00 0.00 0.00 19.45 16.65 1ghu n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ghu s PHE 83 N 6.90 1.43 -0.04 0.00 -0.71 -1.15 -1.31 117.98 123.09 1ghu s PHE 83 Ca 1.01 -0.75 -0.02 0.00 -1.04 0.00 0.00 56.93 56.13 1ghu s PHE 83 Cb -0.58 -0.74 0.03 0.00 -1.21 0.00 0.00 43.02 40.52 1ghu s PHE 83 CO 0.43 0.12 0.09 -0.48 -1.34 0.00 0.00 175.22 174.04 1ghu s LEU 84 N -3.23 1.09 -0.21 -1.99 0.05 -0.56 -4.62 118.68 109.21 1ghu s LEU 84 Ca 0.20 0.18 -0.23 0.00 0.05 0.00 0.00 54.13 54.33 1ghu s LEU 84 Cb 0.03 0.19 -0.02 0.00 -2.05 0.00 0.00 46.19 44.34 1ghu s LEU 84 CO 0.04 -0.11 0.74 -0.63 -0.55 0.00 0.00 176.35 175.83 1ghu s ILE 85 N 0.85 4.93 0.13 1.48 1.01 -0.36 -1.75 121.20 127.48 1ghu s ILE 85 Ca -0.07 1.40 0.04 0.00 0.00 0.00 0.00 60.65 62.02 1ghu s ILE 85 Cb -0.09 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1ghu s ILE 85 CO -0.03 0.03 0.14 0.00 0.00 0.00 0.00 174.94 175.08 1ghu s ARG 86 N 2.31 3.01 -0.18 2.79 1.70 -0.89 -3.03 118.95 124.66 1ghu s ARG 86 Ca 0.33 -0.74 -0.21 0.00 -0.47 0.00 0.00 55.73 54.63 1ghu s ARG 86 Cb -0.16 -2.75 -0.03 0.00 -0.57 0.00 0.00 34.95 31.45 1ghu s ARG 86 CO 0.10 0.52 0.64 -2.00 -1.08 0.00 0.00 175.30 173.48 1ghu s GLU 87 N -2.85 4.24 0.03 3.89 2.12 -0.70 -1.59 118.70 123.84 1ghu s GLU 87 Ca 0.31 0.65 -0.30 0.00 0.36 0.00 0.00 54.97 55.99 1ghu s GLU 87 Cb -0.11 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.64 1ghu s GLU 87 CO 0.24 -0.21 1.82 -1.12 -0.54 0.00 0.00 175.26 175.45 1ghu s SER 88 N 1.15 6.53 0.04 -1.70 0.01 -0.59 -3.47 113.70 115.67 1ghu s SER 88 Ca 0.30 2.53 -0.21 0.00 1.31 0.00 0.00 55.95 59.88 1ghu s SER 88 Cb -0.16 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.39 1ghu s SER 88 CO 0.11 -0.99 1.41 -0.08 0.41 0.00 0.00 173.24 174.10 1ghu h GLU 89 N 9.72 0.29 -0.13 12.44 4.81 -1.90 -3.10 114.58 136.72 1ghu h GLU 89 Ca -0.45 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 58.59 1ghu h GLU 89 Cb 1.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1ghu h GLU 89 CO 0.94 0.61 -0.22 1.03 -0.73 0.00 0.00 179.01 180.64 1ghu h SER 90 N -0.04 0.21 -3.98 1.04 0.87 -1.94 -3.40 113.55 106.31 1ghu h SER 90 Ca 0.03 -0.05 -0.66 0.00 -1.23 0.00 0.00 61.79 59.88 1ghu h SER 90 Cb 0.51 -0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 62.02 1ghu h SER 90 CO 0.02 0.44 -0.64 0.00 -0.53 0.00 0.00 176.83 176.11 1ghu s ALA 91 N -4.54 3.14 0.41 6.23 0.00 -1.17 -5.03 121.76 120.79 1ghu s ALA 91 Ca -0.05 -2.89 0.12 0.00 0.00 0.00 0.00 51.96 49.14 1ghu s ALA 91 Cb 0.15 -2.14 0.95 0.00 0.00 0.00 0.00 23.12 22.08 1ghu s ALA 91 CO 0.74 -1.86 1.95 -1.35 0.00 0.00 0.00 175.76 175.24 1ghu h PRO 92 N 7.16 0.50 -2.01 0.00 0.11 -1.78 -2.84 132.00 133.13 1ghu h PRO 92 Ca -0.06 -0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.59 1ghu h PRO 92 Cb 0.97 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 31.81 1ghu h PRO 92 CO 0.62 0.33 0.22 0.41 -0.21 0.00 0.00 178.00 179.36 1ghu n GLY 93 N -1.50 4.01 3.60 -0.55 0.00 -1.26 -4.85 105.19 104.64 1ghu n GLY 93 Ca 0.11 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 1ghu n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ghu s ASP 94 N 0.77 -0.72 0.29 1.61 2.15 -1.07 -4.74 116.67 114.96 1ghu s ASP 94 Ca 0.61 1.28 0.10 0.00 0.43 0.00 0.00 52.55 54.97 1ghu s ASP 94 Cb 0.37 1.26 -0.05 0.00 -0.30 0.00 0.00 42.92 44.20 1ghu s ASP 94 CO -0.17 -0.32 -0.08 -0.36 -0.17 0.00 0.00 175.17 174.07 1ghu s PHE 95 N 0.05 2.49 -0.09 -5.34 0.40 -1.18 -1.55 117.98 112.77 1ghu s PHE 95 Ca -0.02 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1ghu s PHE 95 Cb -0.04 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.35 1ghu s PHE 95 CO 0.03 0.63 0.04 -1.12 0.70 0.00 0.00 175.22 175.49 1ghu s SER 96 N -3.62 1.72 -0.46 1.36 0.01 -0.62 -1.73 113.70 110.37 1ghu s SER 96 Ca 0.32 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 1ghu s SER 96 Cb -0.04 -0.34 0.03 0.00 0.21 0.00 0.00 66.02 65.88 1ghu s SER 96 CO 0.18 -0.25 1.12 -0.22 0.41 0.00 0.00 173.24 174.48 1ghu s LEU 97 N 2.04 3.68 -0.33 2.44 2.96 -0.50 -2.09 118.68 126.89 1ghu s LEU 97 Ca 0.04 0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 54.33 1ghu s LEU 97 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1ghu s LEU 97 CO -0.05 -1.20 0.34 -0.44 -1.32 0.00 0.00 176.35 173.68 1ghu s SER 98 N 2.35 6.17 -0.12 3.68 0.01 -0.72 -1.32 113.70 123.76 1ghu s SER 98 Ca 0.47 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1ghu s SER 98 Cb -0.08 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.98 1ghu s SER 98 CO 0.30 -0.30 -0.13 -0.69 0.41 0.00 0.00 173.24 172.83 1ghu s VAL 99 N 1.99 1.39 -0.21 3.43 1.01 -0.74 -1.50 120.40 125.78 1ghu s VAL 99 Ca 0.11 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1ghu s VAL 99 Cb -0.16 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1ghu s VAL 99 CO 0.11 0.42 0.96 -0.75 0.00 0.00 0.00 175.10 175.84 1ghu s LYS 100 N 1.25 4.27 -0.30 2.72 2.47 -0.43 -1.42 119.74 128.30 1ghu s LYS 100 Ca -0.02 1.22 -0.03 0.00 -1.56 0.00 0.00 55.97 55.58 1ghu s LYS 100 Cb -0.14 -3.62 0.10 0.00 -1.46 0.00 0.00 37.83 32.71 1ghu s LYS 100 CO -0.05 -0.52 0.13 0.12 0.16 0.00 0.00 175.35 175.19 1ghu s PHE 101 N 2.82 0.47 0.00 4.03 2.19 -1.07 -1.02 117.98 125.40 1ghu s PHE 101 Ca 0.42 -1.00 0.00 0.00 0.33 0.00 0.00 56.93 56.67 1ghu s PHE 101 Cb -0.16 -0.98 0.00 0.00 -1.31 0.00 0.00 43.02 40.57 1ghu s PHE 101 CO 0.09 -0.83 0.00 0.41 1.83 0.00 0.00 175.22 176.71 1ghu n GLY 102 N 5.15 1.35 0.25 13.12 0.00 -1.26 -4.02 105.19 119.78 1ghu n GLY 102 Ca -0.05 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.53 1ghu n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ghu n ASN 103 N 3.03 1.27 -3.81 1.61 0.23 -1.26 -4.91 115.26 111.42 1ghu n ASN 103 Ca 0.00 -2.54 -0.12 0.00 -0.53 0.00 0.00 54.58 51.39 1ghu n ASN 103 Cb 0.00 -0.31 -0.12 0.00 -2.08 0.00 0.00 39.78 37.27 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1ghu s ASP 104 N -1.95 -0.17 -0.45 0.53 1.01 -1.26 -5.13 116.67 109.26 1ghu s ASP 104 Ca 0.17 0.31 -0.18 0.00 0.71 0.00 0.00 52.55 53.56 1ghu s ASP 104 Cb 0.14 0.37 0.04 0.00 1.01 0.00 0.00 42.92 44.48 1ghu s ASP 104 CO 0.02 -0.11 0.49 -0.69 0.21 0.00 0.00 175.17 175.08 1ghu s VAL 105 N -0.10 5.04 -0.20 -1.27 1.01 -1.26 -2.60 120.40 121.02 1ghu s VAL 105 Ca -0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1ghu s VAL 105 Cb -0.02 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1ghu s VAL 105 CO 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 175.10 174.63 1ghu s GLN 106 N 2.22 3.91 -0.49 2.72 -2.07 -0.51 -4.87 119.66 120.57 1ghu s GLN 106 Ca 0.12 -0.37 -0.13 0.00 -1.82 0.00 0.00 55.36 53.16 1ghu s GLN 106 Cb -0.18 -3.25 0.11 0.00 -1.09 0.00 0.00 33.01 28.60 1ghu s GLN 106 CO 0.13 0.17 0.41 -1.01 -1.32 0.00 0.00 175.29 173.66 1ghu s HIS 107 N 0.66 3.32 -0.12 9.60 3.76 -1.26 -1.78 115.29 129.46 1ghu s HIS 107 Ca 0.04 -1.45 -0.25 0.00 -0.15 0.00 0.00 55.06 53.24 1ghu s HIS 107 Cb -0.13 -3.52 -0.02 0.00 1.11 0.00 0.00 32.58 30.02 1ghu s HIS 107 CO 0.02 -0.96 0.79 -0.06 -0.85 0.00 0.00 174.74 173.68 1ghu s PHE 108 N 1.51 3.49 -0.25 1.40 0.08 -0.43 -4.95 117.98 118.83 1ghu s PHE 108 Ca 0.04 1.28 -0.26 0.00 0.12 0.00 0.00 56.93 58.10 1ghu s PHE 108 Cb -0.27 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1ghu s PHE 108 CO 0.02 -0.11 0.92 0.15 -0.10 0.00 0.00 175.22 176.10 1ghu s LYS 109 N 1.60 4.19 -0.60 0.44 -0.14 -1.26 -1.41 119.74 122.56 1ghu s LYS 109 Ca 0.39 1.08 -0.24 0.00 -1.36 0.00 0.00 55.97 55.84 1ghu s LYS 109 Cb -0.17 -3.66 0.05 0.00 -1.68 0.00 0.00 37.83 32.37 1ghu s LYS 109 CO 0.16 -0.60 0.98 0.08 -0.76 0.00 0.00 175.35 175.20 1ghu s VAL 110 N 3.05 4.32 0.10 3.17 1.01 -0.70 -4.71 120.40 126.63 1ghu s VAL 110 Ca 0.39 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1ghu s VAL 110 Cb -0.15 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 1ghu s VAL 110 CO 0.08 -1.27 0.36 -0.76 0.00 0.00 0.00 175.10 173.50 1ghu s LEU 111 N 4.12 4.31 -0.18 3.92 1.43 -0.95 -3.09 118.68 128.24 1ghu s LEU 111 Ca 0.28 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1ghu s LEU 111 Cb -0.13 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1ghu s LEU 111 CO 0.16 0.12 -0.14 -0.13 0.23 0.00 0.00 176.35 176.60 1ghu s ARG 112 N -2.29 3.19 -0.28 1.70 0.52 -1.26 -0.77 118.95 119.77 1ghu s ARG 112 Ca 0.36 -0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 54.73 1ghu s ARG 112 Cb -0.13 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1ghu s ARG 112 CO 0.21 -0.10 0.17 0.16 0.02 0.00 0.00 175.30 175.76 1ghu s ASP 113 N 1.12 5.85 0.90 0.23 -4.77 -1.00 -4.92 116.67 114.08 1ghu s ASP 113 Ca 0.00 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 1ghu s ASP 113 Cb -0.14 -2.08 0.00 0.00 -1.09 0.00 0.00 42.92 39.60 1ghu s ASP 113 CO -0.05 -0.06 0.00 0.61 0.70 0.00 0.00 175.17 176.37 1ghu n GLY 114 N 5.04 1.72 0.00 2.12 0.00 -1.26 -3.48 105.19 109.33 1ghu n GLY 114 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1ghu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu n ALA 115 N 6.93 0.00 -2.82 4.61 0.00 -1.26 -4.95 120.51 123.02 1ghu n ALA 115 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1ghu n ALA 115 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1ghu n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghu n GLY 116 N 1.96 0.33 3.26 0.00 0.00 -1.26 -5.06 105.19 104.43 1ghu n GLY 116 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1ghu n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghu s LYS 117 N 0.48 2.58 -0.71 1.61 3.01 -1.23 -4.69 119.74 120.79 1ghu s LYS 117 Ca 0.32 -1.48 -0.25 0.00 -1.01 0.00 0.00 55.97 53.56 1ghu s LYS 117 Cb 0.18 -3.77 0.05 0.00 -1.01 0.00 0.00 37.83 33.28 1ghu s LYS 117 CO -0.20 -0.96 1.13 0.71 0.51 0.00 0.00 175.35 176.53 1ghu s TYR 118 N 1.41 2.49 -0.34 3.18 2.02 -0.64 -2.38 117.35 123.10 1ghu s TYR 118 Ca 0.03 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 1ghu s TYR 118 Cb -0.23 -4.46 -0.00 0.00 -0.40 0.00 0.00 41.96 36.86 1ghu s TYR 118 CO 0.02 -1.86 0.20 -0.59 -1.57 0.00 0.00 175.55 171.75 1ghu s PHE 119 N 4.87 3.21 -0.18 2.71 -0.71 0.05 -1.96 117.98 125.97 1ghu s PHE 119 Ca 0.29 -0.50 -0.11 0.00 -1.04 0.00 0.00 56.93 55.57 1ghu s PHE 119 Cb -0.12 -2.43 -0.08 0.00 -1.21 0.00 0.00 43.02 39.18 1ghu s PHE 119 CO 0.12 -0.46 -0.26 -0.11 -1.34 0.00 0.00 175.22 173.17 1ghu n LEU 120 N 5.04 1.47 -3.72 -1.99 -0.00 -1.26 -2.23 117.00 114.31 1ghu n LEU 120 Ca -0.13 0.25 -0.28 0.00 -0.00 0.00 0.00 56.01 55.86 1ghu n LEU 120 Cb 0.49 -0.60 -0.16 0.00 -0.00 0.00 0.00 43.42 43.15 1ghu n LEU 120 CO 0.36 0.24 -0.36 0.86 -0.00 0.00 0.00 177.39 178.49 1ghu s TRP 121 N -2.43 0.95 0.00 1.96 -0.00 -1.26 -4.98 118.94 113.18 1ghu s TRP 121 Ca -0.26 -0.84 0.00 0.00 -0.00 0.00 0.00 56.10 54.99 1ghu s TRP 121 Cb 0.09 -1.02 0.00 0.00 -0.00 0.00 0.00 33.47 32.54 1ghu s TRP 121 CO 0.34 -0.62 0.00 0.28 -0.00 0.00 0.00 176.95 176.95 1ghu n VAL 122 N 5.07 0.00 -2.31 5.86 0.31 -1.26 -4.77 118.33 121.22 1ghu n VAL 122 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.93 1ghu n VAL 122 Cb 0.47 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 1ghu n VAL 122 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ghu s VAL 123 N 0.00 4.56 0.40 2.52 0.11 -1.26 -5.08 120.40 121.65 1ghu s VAL 123 Ca 0.00 1.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.99 1ghu s VAL 123 Cb 0.00 -3.74 -0.11 0.00 -1.53 0.00 0.00 36.38 31.00 1ghu s VAL 123 CO 0.00 -0.76 0.95 -1.59 -3.33 0.00 0.00 175.10 170.38 1ghu s LYS 124 N -4.24 4.31 -0.25 1.54 -2.85 -1.26 -4.46 119.74 112.53 1ghu s LYS 124 Ca 0.58 1.19 0.00 0.00 -1.00 0.00 0.00 55.97 56.74 1ghu s LYS 124 Cb -0.10 -2.35 0.07 0.00 -2.06 0.00 0.00 37.83 33.39 1ghu s LYS 124 CO 0.35 0.04 0.00 -0.06 0.10 0.00 0.00 175.35 175.78 1ghu s PHE 125 N -2.01 2.12 0.18 1.78 0.08 -0.83 -4.96 117.98 114.33 1ghu s PHE 125 Ca 0.59 -1.69 -0.17 0.00 0.12 0.00 0.00 56.93 55.79 1ghu s PHE 125 Cb -0.12 -1.62 0.13 0.00 -0.57 0.00 0.00 43.02 40.84 1ghu s PHE 125 CO 0.16 -0.78 1.65 -0.97 -0.10 0.00 0.00 175.22 175.19 1ghu h ASN 126 N 8.01 -0.47 -2.17 1.36 -0.73 -1.89 -1.70 115.58 117.99 1ghu h ASN 126 Ca -0.15 0.14 -0.55 0.00 1.87 0.00 0.00 56.30 57.61 1ghu h ASN 126 Cb 1.07 0.30 -0.09 0.00 0.27 0.00 0.00 38.32 39.87 1ghu h ASN 126 CO 0.42 -0.17 -0.62 -0.94 -0.37 0.00 0.00 177.43 175.76 1ghu s SER 127 N -5.21 4.70 0.29 1.15 1.04 -1.26 -4.15 113.70 110.26 1ghu s SER 127 Ca -0.14 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1ghu s SER 127 Cb 0.16 -0.91 0.45 0.00 0.10 0.00 0.00 66.02 65.82 1ghu s SER 127 CO 0.71 -0.04 1.75 -0.07 0.98 0.00 0.00 173.24 176.58 1ghu h LEU 128 N 1.79 0.47 -0.36 2.42 3.38 -1.94 -2.28 115.31 118.80 1ghu h LEU 128 Ca -0.45 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 1ghu h LEU 128 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1ghu h LEU 128 CO 0.61 0.69 0.11 -1.13 0.09 0.00 0.00 178.44 178.81 1ghu h ASN 129 N 0.43 0.54 -0.30 -0.43 -1.24 -1.98 -2.51 115.58 110.09 1ghu h ASN 129 Ca 0.07 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 56.88 1ghu h ASN 129 Cb 0.61 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1ghu h ASN 129 CO 0.04 0.61 0.17 -0.08 -1.29 0.00 0.00 177.43 176.88 1ghu h GLU 130 N 0.44 0.34 -0.26 6.67 4.22 -1.96 -2.86 114.58 121.17 1ghu h GLU 130 Ca 0.12 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.60 1ghu h GLU 130 Cb 0.27 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1ghu h GLU 130 CO -0.00 0.22 -0.21 1.25 -2.18 0.00 0.00 179.01 178.09 1ghu h LEU 131 N 0.35 -0.68 0.02 1.64 5.85 -1.45 -2.48 115.31 118.56 1ghu h LEU 131 Ca 0.12 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1ghu h LEU 131 Cb 0.01 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1ghu h LEU 131 CO -0.06 -0.25 -0.01 1.62 -0.34 0.00 0.00 178.44 179.40 1ghu h VAL 132 N -0.20 1.26 -0.08 1.05 3.04 -1.47 -2.54 116.25 117.32 1ghu h VAL 132 Ca 0.14 -0.86 -0.04 0.00 -1.01 0.00 0.00 66.70 64.93 1ghu h VAL 132 Cb 0.42 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1ghu h VAL 132 CO -0.38 0.22 -0.15 0.44 -1.01 0.00 0.00 177.57 176.70 1ghu h ASP 133 N -0.40 0.11 0.41 3.17 3.32 -1.61 -1.80 116.42 119.63 1ghu h ASP 133 Ca -0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ghu h ASP 133 Cb 0.38 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1ghu h ASP 133 CO 0.00 0.27 -0.20 0.22 -1.72 0.00 0.00 179.24 177.82 1ghu h TYR 134 N 0.11 -0.51 0.00 4.55 3.20 -1.47 -3.31 116.97 119.55 1ghu h TYR 134 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ghu h TYR 134 Cb 0.33 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ghu h TYR 134 CO 0.00 -0.25 0.00 0.72 -1.64 0.00 0.00 178.16 176.99 1ghu n HIS 135 N -5.28 0.00 0.28 -3.82 8.25 -0.96 -2.07 115.22 111.63 1ghu n HIS 135 Ca -0.11 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.52 1ghu n HIS 135 Cb 0.26 -0.49 0.80 0.00 1.12 0.00 0.00 29.99 31.68 1ghu n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ghu h ARG 136 N 0.00 0.00 0.00 -0.41 3.08 -1.41 -3.20 114.38 112.44 1ghu h ARG 136 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1ghu h ARG 136 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1ghu h ARG 136 CO 0.00 0.05 -2.18 0.43 -1.07 0.00 0.00 179.97 177.20 1ghu n SER 137 N -3.24 2.07 -4.90 7.04 7.64 -1.16 -4.37 113.62 116.71 1ghu n SER 137 Ca -0.01 0.04 -0.29 0.00 1.01 0.00 0.00 58.87 59.62 1ghu n SER 137 Cb 0.25 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1ghu n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ghu s THR 138 N -2.40 4.95 0.02 0.44 2.01 -0.88 -5.00 115.64 114.77 1ghu s THR 138 Ca -0.29 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1ghu s THR 138 Cb 0.09 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1ghu s THR 138 CO 0.43 -0.44 0.97 -0.55 -0.69 0.00 0.00 174.62 174.35 1ghu s SER 139 N -3.29 7.38 0.11 3.53 0.15 -1.26 -4.45 113.70 115.87 1ghu s SER 139 Ca 0.46 1.67 -0.14 0.00 0.70 0.00 0.00 55.95 58.64 1ghu s SER 139 Cb -0.10 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 1ghu s SER 139 CO 0.32 -0.23 1.47 -0.37 1.20 0.00 0.00 173.24 175.63 1ghu h VAL 140 N 4.68 1.29 -3.48 4.45 -1.51 -1.81 -3.44 116.25 116.43 1ghu h VAL 140 Ca -0.41 -1.36 -0.54 0.00 -1.23 0.00 0.00 66.70 63.17 1ghu h VAL 140 Cb 1.22 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 1ghu h VAL 140 CO 0.74 0.44 0.21 -0.55 -1.23 0.00 0.00 177.57 177.19 1ghu s SER 141 N -6.50 7.31 0.05 4.19 0.15 -1.26 -4.81 113.70 112.83 1ghu s SER 141 Ca -0.12 1.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.89 1ghu s SER 141 Cb 0.09 -2.50 -0.14 0.00 -1.71 0.00 0.00 66.02 61.77 1ghu s SER 141 CO 0.83 0.02 1.35 0.08 1.20 0.00 0.00 173.24 176.72 1ghu h ARG 142 N 5.47 0.42 0.03 5.44 0.11 -2.00 -3.39 114.38 120.46 1ghu h ARG 142 Ca -0.44 -0.23 -0.00 0.00 0.10 0.00 0.00 59.98 59.41 1ghu h ARG 142 Cb 1.21 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ghu h ARG 142 CO 0.70 0.80 -0.01 -0.91 0.10 0.00 0.00 179.97 180.65 1ghu h ASN 143 N 0.06 -0.03 -4.18 0.08 2.35 -2.00 -3.47 115.58 108.40 1ghu h ASN 143 Ca 0.02 -0.43 -0.47 0.00 -0.55 0.00 0.00 56.30 54.88 1ghu h ASN 143 Cb 0.73 0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1ghu h ASN 143 CO 0.04 0.67 0.37 -1.10 -1.65 0.00 0.00 177.43 175.77 1ghu s GLN 144 N -2.04 3.97 -0.71 0.81 -0.21 -1.26 -5.04 119.66 115.18 1ghu s GLN 144 Ca -0.09 0.98 -0.19 0.00 0.02 0.00 0.00 55.36 56.08 1ghu s GLN 144 Cb -0.01 -2.14 0.12 0.00 1.00 0.00 0.00 33.01 31.98 1ghu s GLN 144 CO 0.32 -0.26 0.86 -0.65 -2.12 0.00 0.00 175.29 173.44 1ghu s GLN 145 N -3.98 3.25 -0.27 2.91 -0.21 -1.26 -4.36 119.66 115.73 1ghu s GLN 145 Ca 0.59 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1ghu s GLN 145 Cb -0.10 -4.43 0.05 0.00 1.00 0.00 0.00 33.01 29.53 1ghu s GLN 145 CO 0.30 -1.62 -0.07 0.42 -2.12 0.00 0.00 175.29 172.19 1ghu s ILE 146 N 2.65 2.49 -0.13 1.08 -1.09 -1.26 -5.07 121.20 119.87 1ghu s ILE 146 Ca 0.19 -1.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.15 1ghu s ILE 146 Cb -0.17 -2.42 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 1ghu s ILE 146 CO 0.01 -0.01 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.19 1ghu s PHE 147 N 1.18 2.74 -0.07 3.97 0.08 -1.26 -2.82 117.98 121.80 1ghu s PHE 147 Ca -0.06 -0.92 -0.30 0.00 0.12 0.00 0.00 56.93 55.77 1ghu s PHE 147 Cb -0.19 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1ghu s PHE 147 CO -0.04 -0.38 1.08 -0.51 -0.10 0.00 0.00 175.22 175.27 1ghu s LEU 148 N 0.55 4.28 0.24 -0.37 1.02 -1.21 -4.00 118.68 119.19 1ghu s LEU 148 Ca -0.10 1.67 0.07 0.00 0.02 0.00 0.00 54.13 55.78 1ghu s LEU 148 Cb -0.16 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.44 1ghu s LEU 148 CO 0.04 -0.47 -0.09 -0.13 0.02 0.00 0.00 176.35 175.72 1ghu s ARG 149 N 1.91 1.42 0.43 1.70 1.81 -0.69 -4.51 118.95 121.03 1ghu s ARG 149 Ca 0.52 -1.68 -0.22 0.00 -1.72 0.00 0.00 55.73 52.63 1ghu s ARG 149 Cb -0.21 -1.06 -0.10 0.00 -0.45 0.00 0.00 34.95 33.13 1ghu s ARG 149 CO 0.21 0.08 1.00 0.34 -0.68 0.00 0.00 175.30 176.25 1ghu s ASP 150 N -3.37 6.74 0.76 0.23 -1.08 -1.26 -2.96 116.67 115.74 1ghu s ASP 150 Ca 0.26 1.85 -0.11 0.00 -0.52 0.00 0.00 52.55 54.04 1ghu s ASP 150 Cb 0.02 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.97 1ghu s ASP 150 CO 0.09 -0.50 1.09 0.27 0.52 0.00 0.00 175.17 176.64 1ghu s ILE 151 N -1.95 3.35 -2.55 4.11 -4.36 -1.26 -4.63 121.20 113.90 1ghu s ILE 151 Ca 0.62 0.45 0.28 0.00 -0.26 0.00 0.00 60.65 61.73 1ghu s ILE 151 Cb -0.15 -2.95 0.51 0.00 1.25 0.00 0.00 42.46 41.13 1ghu s ILE 151 CO 0.19 -0.56 1.70 1.21 0.24 0.00 0.00 174.94 177.72