#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghu s SER 59 N 0.00 6.74 0.00 1.61 1.04 -1.26 -4.15 113.70 117.68 1ghu s SER 59 Ca 0.00 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1ghu s SER 59 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ghu s SER 59 CO 0.00 -1.03 0.00 -2.67 0.98 0.00 0.00 173.24 170.52 1ghu n TRP 60 N 7.43 0.00 -3.80 5.02 4.27 -1.26 -4.93 117.44 124.18 1ghu n TRP 60 Ca 0.14 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.59 1ghu n TRP 60 Cb 0.47 -1.31 -0.16 0.00 -1.36 0.00 0.00 31.31 28.94 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 -0.66 0.09 -0.32 -2.67 2.19 -1.26 -2.61 117.98 112.75 1ghu s PHE 61 Ca 0.00 0.11 -0.02 0.00 0.33 0.00 0.00 56.93 57.35 1ghu s PHE 61 Cb 0.00 -0.29 0.12 0.00 -1.31 0.00 0.00 43.02 41.54 1ghu s PHE 61 CO 0.00 -0.11 0.17 -0.06 1.83 0.00 0.00 175.22 177.06 1ghu s PHE 62 N 1.14 0.51 0.49 10.12 0.08 -1.13 -2.15 117.98 127.04 1ghu s PHE 62 Ca -0.08 -1.25 -0.01 0.00 0.12 0.00 0.00 56.93 55.71 1ghu s PHE 62 Cb -0.13 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 1ghu s PHE 62 CO -0.03 -0.83 0.73 0.20 -0.10 0.00 0.00 175.22 175.19 1ghu s GLY 63 N 1.58 1.60 -1.19 4.36 0.00 -1.26 -4.05 107.32 108.35 1ghu s GLY 63 Ca 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 1ghu s GLY 63 CO -0.17 -0.80 0.88 0.28 0.00 0.00 0.00 173.10 173.28 1ghu n LYS 64 N -2.20 -4.66 -4.08 2.90 4.76 -1.19 -4.79 118.16 108.90 1ghu n LYS 64 Ca 0.03 0.75 -0.12 0.00 -2.87 0.00 0.00 58.31 56.10 1ghu n LYS 64 Cb 0.58 -5.51 -0.11 0.00 -1.84 0.00 0.00 35.03 28.14 1ghu n LYS 64 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1ghu s ILE 65 N -3.47 0.51 1.08 -0.18 -4.36 -1.23 -4.97 121.20 108.58 1ghu s ILE 65 Ca 0.15 -1.26 -0.17 0.00 -0.26 0.00 0.00 60.65 59.11 1ghu s ILE 65 Cb -0.03 -0.82 0.24 0.00 1.25 0.00 0.00 42.46 43.10 1ghu s ILE 65 CO 0.77 -0.52 1.19 -2.16 0.24 0.00 0.00 174.94 174.46 1ghu s PRO 66 N -2.10 -0.28 0.17 0.37 0.04 -1.26 -4.62 135.00 127.32 1ghu s PRO 66 Ca -0.06 -0.15 -0.11 0.00 0.04 0.00 0.00 61.00 60.72 1ghu s PRO 66 Cb -0.06 -1.71 0.07 0.00 0.04 0.00 0.00 34.50 32.84 1ghu s PRO 66 CO -0.01 -3.07 1.71 -0.09 0.04 0.00 0.00 177.00 175.58 1ghu h ARG 67 N -2.12 0.93 -0.52 4.56 2.43 -2.00 -2.87 114.38 114.79 1ghu h ARG 67 Ca -0.45 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 58.44 1ghu h ARG 67 Cb 1.28 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1ghu h ARG 67 CO 0.39 0.81 -0.02 0.00 -1.51 0.00 0.00 179.97 179.64 1ghu h ALA 68 N 1.07 0.70 -0.55 2.80 0.00 -1.99 -2.42 119.26 118.87 1ghu h ALA 68 Ca 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ghu h ALA 68 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ghu h ALA 68 CO -0.01 0.54 0.19 -0.22 0.00 0.00 0.00 179.25 179.75 1ghu h LYS 69 N 0.80 0.81 -0.26 0.00 1.63 -1.95 -1.77 116.57 115.83 1ghu h LYS 69 Ca 0.14 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1ghu h LYS 69 Cb 0.56 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1ghu h LYS 69 CO 0.03 0.69 0.04 0.00 -3.45 0.00 0.00 179.45 176.76 1ghu h ALA 70 N 1.41 0.35 -0.81 5.00 0.00 -1.47 -2.84 119.26 120.89 1ghu h ALA 70 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ghu h ALA 70 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ghu h ALA 70 CO -0.01 0.04 0.40 0.93 0.00 0.00 0.00 179.25 180.61 1ghu h GLU 71 N 0.25 1.16 -0.40 0.00 5.08 -1.45 -2.85 114.58 116.38 1ghu h GLU 71 Ca 0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ghu h GLU 71 Cb 0.34 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ghu h GLU 71 CO 0.01 0.89 0.25 1.49 -1.00 0.00 0.00 179.01 180.64 1ghu h GLU 72 N 1.16 0.53 0.03 2.33 4.22 -1.36 -1.61 114.58 119.88 1ghu h GLU 72 Ca 0.28 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.68 1ghu h GLU 72 Cb 0.10 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ghu h GLU 72 CO -0.04 0.37 -0.02 0.52 -2.18 0.00 0.00 179.01 177.66 1ghu h MET 73 N 0.53 -0.05 0.00 1.92 2.86 -1.52 -3.32 114.93 115.35 1ghu h MET 73 Ca 0.14 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1ghu h MET 73 Cb -0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1ghu h MET 73 CO -0.03 -0.03 -0.31 -0.07 1.06 0.00 0.00 176.91 177.53 1ghu h LEU 74 N -0.05 0.00 -1.41 1.22 3.38 -1.53 -3.35 115.31 113.57 1ghu h LEU 74 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ghu h LEU 74 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1ghu h LEU 74 CO 0.00 0.31 0.43 0.77 0.09 0.00 0.00 178.44 180.04 1ghu h SER 75 N 0.00 0.66 -0.03 -0.43 4.64 -1.39 -2.64 113.55 114.37 1ghu h SER 75 Ca -0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1ghu h SER 75 Cb 1.04 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1ghu h SER 75 CO 0.04 0.46 -0.06 0.11 -0.87 0.00 0.00 176.83 176.50 1ghu h LYS 76 N 0.77 0.22 -6.23 4.77 1.57 -1.74 -3.45 116.57 112.48 1ghu h LYS 76 Ca 0.26 -0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 58.44 1ghu h LYS 76 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1ghu h LYS 76 CO -0.07 0.30 0.80 -0.65 -0.57 0.00 0.00 179.45 179.26 1ghu s GLN 77 N -4.87 4.29 0.62 3.15 -0.21 -1.00 -4.97 119.66 116.68 1ghu s GLN 77 Ca -0.06 1.66 0.40 0.00 0.02 0.00 0.00 55.36 57.38 1ghu s GLN 77 Cb 0.16 -3.66 2.01 0.00 1.00 0.00 0.00 33.01 32.52 1ghu s GLN 77 CO 0.72 -0.57 2.23 0.07 -2.12 0.00 0.00 175.29 175.61 1ghu h ARG 78 N 7.81 0.00 -6.11 2.91 0.11 -1.88 -3.46 114.38 113.76 1ghu h ARG 78 Ca -0.30 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.21 1ghu h ARG 78 Cb 1.13 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.16 1ghu h ARG 78 CO 0.93 0.01 -0.05 -1.01 0.10 0.00 0.00 179.97 179.95 1ghu s HIS 79 N -4.02 3.72 -0.07 4.08 3.76 -1.26 -5.04 115.29 116.46 1ghu s HIS 79 Ca -0.03 1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 55.77 1ghu s HIS 79 Cb 0.12 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1ghu s HIS 79 CO 0.47 0.45 1.12 0.16 -0.85 0.00 0.00 174.74 176.10 1ghu s ASP 80 N -0.55 7.13 0.00 1.40 -4.77 -1.26 -3.21 116.67 115.41 1ghu s ASP 80 Ca 0.29 1.70 0.00 0.00 -3.30 0.00 0.00 52.55 51.25 1ghu s ASP 80 Cb -0.18 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 1ghu s ASP 80 CO 0.17 -0.53 0.00 0.61 0.70 0.00 0.00 175.17 176.12 1ghu n GLY 81 N 3.26 2.89 3.61 2.12 0.00 -0.10 -4.62 105.19 112.34 1ghu n GLY 81 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1ghu n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu s ALA 82 N -2.58 2.90 0.21 4.61 0.00 -1.17 -1.72 121.76 124.02 1ghu s ALA 82 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 51.96 52.64 1ghu s ALA 82 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 1ghu s ALA 82 CO 0.00 -2.55 -0.18 -0.59 0.00 0.00 0.00 175.76 172.44 1ghu s PHE 83 N 7.16 1.93 -0.03 0.00 -0.71 -1.17 -1.96 117.98 123.21 1ghu s PHE 83 Ca 0.89 -0.46 0.01 0.00 -1.04 0.00 0.00 56.93 56.32 1ghu s PHE 83 Cb -0.29 -0.90 0.02 0.00 -1.21 0.00 0.00 43.02 40.64 1ghu s PHE 83 CO 0.34 0.45 -0.04 -0.48 -1.34 0.00 0.00 175.22 174.16 1ghu s LEU 84 N -3.13 1.51 -0.45 -1.99 0.05 -0.89 -4.53 118.68 109.24 1ghu s LEU 84 Ca 0.22 -0.09 -0.23 0.00 0.05 0.00 0.00 54.13 54.08 1ghu s LEU 84 Cb -0.04 -0.34 0.03 0.00 -2.05 0.00 0.00 46.19 43.79 1ghu s LEU 84 CO 0.09 -0.03 0.77 -0.63 -0.55 0.00 0.00 176.35 176.00 1ghu s ILE 85 N 0.60 4.67 0.12 1.48 1.01 -1.07 -1.92 121.20 126.09 1ghu s ILE 85 Ca -0.07 0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 1ghu s ILE 85 Cb -0.11 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 1ghu s ILE 85 CO -0.00 -0.72 0.51 0.00 0.00 0.00 0.00 174.94 174.74 1ghu s ARG 86 N 3.23 3.96 -0.16 2.79 1.70 -0.91 -2.83 118.95 126.73 1ghu s ARG 86 Ca 0.29 0.45 -0.20 0.00 -0.47 0.00 0.00 55.73 55.80 1ghu s ARG 86 Cb -0.12 -3.00 -0.03 0.00 -0.57 0.00 0.00 34.95 31.23 1ghu s ARG 86 CO 0.22 0.53 0.57 -2.00 -1.08 0.00 0.00 175.30 173.53 1ghu s GLU 87 N -1.79 4.27 0.11 3.89 2.12 -1.26 -1.37 118.70 124.67 1ghu s GLU 87 Ca 0.35 0.55 -0.31 0.00 0.36 0.00 0.00 54.97 55.92 1ghu s GLU 87 Cb -0.15 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.63 1ghu s GLU 87 CO 0.18 -0.08 1.49 -1.12 -0.54 0.00 0.00 175.26 175.20 1ghu s SER 88 N 0.99 6.72 0.03 -1.70 0.01 -0.81 -3.16 113.70 115.78 1ghu s SER 88 Ca 0.28 2.42 -0.22 0.00 1.31 0.00 0.00 55.95 59.74 1ghu s SER 88 Cb -0.16 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.33 1ghu s SER 88 CO 0.11 -0.75 1.37 -0.33 0.41 0.00 0.00 173.24 174.05 1ghu h GLU 89 N 7.13 0.22 -0.62 12.44 5.08 -1.90 -3.19 114.58 133.74 1ghu h GLU 89 Ca -0.42 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1ghu h GLU 89 Cb 1.20 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ghu h GLU 89 CO 0.89 0.58 0.31 0.66 -1.00 0.00 0.00 179.01 180.45 1ghu h SER 90 N -0.16 0.78 -3.74 1.42 4.64 -1.99 -3.39 113.55 111.12 1ghu h SER 90 Ca 0.02 -0.07 -0.64 0.00 -0.47 0.00 0.00 61.79 60.63 1ghu h SER 90 Cb 0.52 -0.20 -0.40 0.00 -0.31 0.00 0.00 62.40 62.01 1ghu h SER 90 CO 0.02 0.66 -0.71 0.00 -0.87 0.00 0.00 176.83 175.93 1ghu s ALA 91 N -5.52 2.69 0.43 5.18 0.00 -1.21 -5.04 121.76 118.29 1ghu s ALA 91 Ca -0.10 -2.56 0.11 0.00 0.00 0.00 0.00 51.96 49.41 1ghu s ALA 91 Cb 0.17 -1.95 0.97 0.00 0.00 0.00 0.00 23.12 22.31 1ghu s ALA 91 CO 0.79 -1.80 2.02 -1.35 0.00 0.00 0.00 175.76 175.42 1ghu h PRO 92 N 7.35 0.43 -1.73 0.00 0.11 -1.77 -2.83 132.00 133.57 1ghu h PRO 92 Ca -0.06 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.73 1ghu h PRO 92 Cb 0.98 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 1ghu h PRO 92 CO 0.55 0.29 0.27 0.41 -0.21 0.00 0.00 178.00 179.31 1ghu n GLY 93 N -1.50 3.78 2.87 -0.55 0.00 -1.26 -4.75 105.19 103.78 1ghu n GLY 93 Ca 0.06 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1ghu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ghu s ASP 94 N 0.68 0.57 0.47 1.61 1.01 -1.07 -4.45 116.67 115.50 1ghu s ASP 94 Ca 0.34 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.73 1ghu s ASP 94 Cb 0.23 0.90 0.01 0.00 1.01 0.00 0.00 42.92 45.08 1ghu s ASP 94 CO -0.04 -0.31 0.67 -0.36 0.21 0.00 0.00 175.17 175.34 1ghu s PHE 95 N 2.48 2.97 -0.15 4.23 0.40 -1.07 -1.92 117.98 124.93 1ghu s PHE 95 Ca 0.11 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1ghu s PHE 95 Cb -0.15 -2.48 0.07 0.00 0.51 0.00 0.00 43.02 40.96 1ghu s PHE 95 CO -0.15 -0.56 0.18 -1.12 0.70 0.00 0.00 175.22 174.27 1ghu s SER 96 N -4.33 1.26 -0.55 1.36 0.01 -0.47 -1.35 113.70 109.63 1ghu s SER 96 Ca 0.53 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.46 1ghu s SER 96 Cb -0.10 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.40 1ghu s SER 96 CO 0.36 -0.30 1.18 -0.22 0.41 0.00 0.00 173.24 174.68 1ghu s LEU 97 N 2.28 3.50 -0.64 2.44 2.96 -0.57 -2.15 118.68 126.51 1ghu s LEU 97 Ca 0.04 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.05 1ghu s LEU 97 Cb -0.14 -3.29 0.16 0.00 0.50 0.00 0.00 46.19 43.42 1ghu s LEU 97 CO -0.09 -1.42 0.56 -0.44 -1.32 0.00 0.00 176.35 173.64 1ghu s SER 98 N 2.84 6.19 -0.24 3.68 0.01 -0.81 -1.58 113.70 123.80 1ghu s SER 98 Ca 0.45 -2.25 -0.06 0.00 1.31 0.00 0.00 55.95 55.40 1ghu s SER 98 Cb -0.07 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1ghu s SER 98 CO 0.27 -0.67 0.02 -0.69 0.41 0.00 0.00 173.24 172.58 1ghu s VAL 99 N 0.86 3.91 -0.75 3.43 1.01 -0.80 -2.10 120.40 125.96 1ghu s VAL 99 Ca 0.10 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 1ghu s VAL 99 Cb -0.21 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1ghu s VAL 99 CO -0.03 0.38 1.05 -0.75 0.00 0.00 0.00 175.10 175.75 1ghu s LYS 100 N 1.53 3.27 -0.34 2.72 2.36 -0.83 -1.24 119.74 127.21 1ghu s LYS 100 Ca 0.06 -1.07 0.04 0.00 -2.55 0.00 0.00 55.97 52.44 1ghu s LYS 100 Cb -0.15 -4.47 0.10 0.00 -1.05 0.00 0.00 37.83 32.26 1ghu s LYS 100 CO 0.01 -1.84 0.05 0.12 1.55 0.00 0.00 175.35 175.24 1ghu s PHE 101 N 3.81 3.67 -0.38 4.03 2.19 -0.99 -0.92 117.98 129.40 1ghu s PHE 101 Ca 0.27 -2.94 -0.03 0.00 0.33 0.00 0.00 56.93 54.56 1ghu s PHE 101 Cb -0.12 -2.86 0.00 0.00 -1.31 0.00 0.00 43.02 38.73 1ghu s PHE 101 CO 0.04 -0.95 0.39 0.41 1.83 0.00 0.00 175.22 176.94 1ghu n GLY 102 N 4.28 -0.91 4.32 13.12 0.00 -1.26 -4.12 105.19 120.62 1ghu n GLY 102 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ghu n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ghu n ASN 103 N -1.13 0.00 -4.22 1.61 3.02 -1.26 -4.97 115.26 108.31 1ghu n ASN 103 Ca 0.02 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.30 1ghu n ASN 103 Cb 0.43 -0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 39.33 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ghu s ASP 104 N -0.71 2.46 -0.37 6.41 1.01 -1.26 -5.09 116.67 119.12 1ghu s ASP 104 Ca 0.00 -0.38 -0.13 0.00 0.71 0.00 0.00 52.55 52.74 1ghu s ASP 104 Cb 0.00 -0.35 0.01 0.00 1.01 0.00 0.00 42.92 43.58 1ghu s ASP 104 CO 0.00 0.24 0.26 -0.69 0.21 0.00 0.00 175.17 175.19 1ghu s VAL 105 N -0.40 5.13 -0.33 -1.27 1.01 -1.26 -2.34 120.40 120.94 1ghu s VAL 105 Ca 0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1ghu s VAL 105 Cb -0.09 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1ghu s VAL 105 CO -0.00 -0.16 0.21 -1.10 0.00 0.00 0.00 175.10 174.04 1ghu s GLN 106 N 1.67 3.48 -0.46 2.72 -0.21 -0.37 -4.87 119.66 121.62 1ghu s GLN 106 Ca 0.05 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.61 1ghu s GLN 106 Cb -0.18 -3.72 0.04 0.00 1.00 0.00 0.00 33.01 30.16 1ghu s GLN 106 CO 0.09 -0.41 0.47 -1.01 -2.12 0.00 0.00 175.29 172.31 1ghu s HIS 107 N 1.69 3.16 -0.27 0.91 3.76 -1.26 -1.91 115.29 121.37 1ghu s HIS 107 Ca 0.06 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.30 1ghu s HIS 107 Cb -0.17 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 1ghu s HIS 107 CO 0.09 -0.81 0.12 -0.06 -0.85 0.00 0.00 174.74 173.23 1ghu s PHE 108 N 2.11 3.14 -0.21 1.40 0.08 -0.61 -4.95 117.98 118.93 1ghu s PHE 108 Ca 0.10 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.57 1ghu s PHE 108 Cb -0.20 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1ghu s PHE 108 CO 0.11 -0.32 1.25 0.21 -0.10 0.00 0.00 175.22 176.38 1ghu s LYS 109 N 1.66 4.14 -0.59 0.44 2.47 -1.26 -1.52 119.74 125.07 1ghu s LYS 109 Ca 0.06 1.51 -0.20 0.00 -1.56 0.00 0.00 55.97 55.77 1ghu s LYS 109 Cb -0.16 -3.79 0.08 0.00 -1.46 0.00 0.00 37.83 32.51 1ghu s LYS 109 CO 0.06 -0.82 0.79 0.08 0.16 0.00 0.00 175.35 175.61 1ghu s VAL 110 N 3.73 4.65 0.26 4.02 1.01 -0.46 -4.49 120.40 129.12 1ghu s VAL 110 Ca 0.54 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1ghu s VAL 110 Cb -0.19 -4.52 -0.08 0.00 0.00 0.00 0.00 36.38 31.58 1ghu s VAL 110 CO 0.16 -1.17 0.71 -0.76 0.00 0.00 0.00 175.10 174.04 1ghu s LEU 111 N 3.19 4.22 0.06 3.92 1.43 -0.80 -2.59 118.68 128.12 1ghu s LEU 111 Ca 0.17 1.31 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1ghu s LEU 111 Cb -0.20 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 1ghu s LEU 111 CO 0.09 -0.06 -0.11 -0.13 0.23 0.00 0.00 176.35 176.37 1ghu s ARG 112 N -2.42 2.24 -0.03 1.70 0.52 -1.26 -1.06 118.95 118.63 1ghu s ARG 112 Ca 0.47 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1ghu s ARG 112 Cb -0.14 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.01 1ghu s ARG 112 CO 0.19 0.54 -0.04 0.16 0.02 0.00 0.00 175.30 176.18 1ghu s ASP 113 N -1.81 0.75 0.93 0.23 -4.77 -1.10 -4.93 116.67 105.97 1ghu s ASP 113 Ca 0.19 -0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 1ghu s ASP 113 Cb -0.11 -0.32 0.00 0.00 -1.09 0.00 0.00 42.92 41.40 1ghu s ASP 113 CO 0.10 -0.04 0.00 0.61 0.70 0.00 0.00 175.17 176.55 1ghu n GLY 114 N 3.81 1.80 0.01 2.12 0.00 -1.26 -2.73 105.19 108.94 1ghu n GLY 114 Ca -0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ghu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu h ALA 115 N 0.00 0.00 -0.27 4.61 0.00 -2.02 -3.47 119.26 118.11 1ghu h ALA 115 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1ghu h ALA 115 Cb 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1ghu h ALA 115 CO 0.00 0.04 -0.43 0.41 0.00 0.00 0.00 179.25 179.26 1ghu n GLY 116 N 1.87 -0.37 3.33 0.00 0.00 -1.26 -5.10 105.19 103.67 1ghu n GLY 116 Ca -0.01 0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.92 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 0.70 3.00 -0.42 1.61 3.01 -1.11 -4.55 119.74 121.99 1ghu s LYS 117 Ca 0.31 -1.58 -0.26 0.00 -1.01 0.00 0.00 55.97 53.42 1ghu s LYS 117 Cb 0.16 -4.27 0.02 0.00 -1.01 0.00 0.00 37.83 32.74 1ghu s LYS 117 CO -0.18 -1.31 0.97 0.71 0.51 0.00 0.00 175.35 176.05 1ghu s TYR 118 N 1.78 2.98 -0.18 3.18 2.02 -0.16 -2.72 117.35 124.26 1ghu s TYR 118 Ca 0.05 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 1ghu s TYR 118 Cb -0.28 -3.89 0.04 0.00 -0.40 0.00 0.00 41.96 37.42 1ghu s TYR 118 CO 0.04 -0.99 -0.10 -0.59 -1.57 0.00 0.00 175.55 172.34 1ghu s PHE 119 N 3.75 2.24 -0.05 2.71 -0.71 -0.23 -1.46 117.98 124.23 1ghu s PHE 119 Ca 0.40 -1.41 0.01 0.00 -1.04 0.00 0.00 56.93 54.89 1ghu s PHE 119 Cb -0.10 -1.57 -0.04 0.00 -1.21 0.00 0.00 43.02 40.09 1ghu s PHE 119 CO 0.23 -0.70 -0.04 1.47 -1.34 0.00 0.00 175.22 174.84 1ghu n LEU 120 N 4.74 2.48 0.00 -1.99 -0.00 -1.26 -1.90 117.00 119.07 1ghu n LEU 120 Ca -0.15 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1ghu n LEU 120 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1ghu n LEU 120 CO 0.20 0.51 0.00 1.87 -0.00 0.00 0.00 177.39 179.97 1ghu n TRP 121 N -2.58 0.00 0.05 1.47 -0.00 -1.26 -4.85 117.44 110.27 1ghu n TRP 121 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1ghu n TRP 121 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.92 1ghu n TRP 121 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ghu n VAL 122 N -1.09 0.05 -2.73 5.87 0.31 -1.26 -5.11 118.33 114.37 1ghu n VAL 122 Ca 0.00 0.02 -0.40 0.00 -0.01 0.00 0.00 64.34 63.94 1ghu n VAL 122 Cb 0.00 -0.29 -0.06 0.00 -0.91 0.00 0.00 33.84 32.59 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 -1.35 4.11 0.78 2.52 0.11 -1.26 -5.03 120.40 120.29 1ghu s VAL 123 Ca 0.00 2.06 -0.12 0.00 -2.93 0.00 0.00 61.98 60.99 1ghu s VAL 123 Cb 0.00 -4.31 0.06 0.00 -1.53 0.00 0.00 36.38 30.60 1ghu s VAL 123 CO 0.00 0.46 1.15 -1.59 -3.33 0.00 0.00 175.10 171.79 1ghu s LYS 124 N -0.99 2.22 -0.19 1.54 0.00 -1.26 -4.64 119.74 116.42 1ghu s LYS 124 Ca 0.42 0.24 -0.04 0.00 0.00 0.00 0.00 55.97 56.60 1ghu s LYS 124 Cb -0.26 -1.97 0.09 0.00 0.00 0.00 0.00 37.83 35.70 1ghu s LYS 124 CO 0.32 -1.44 0.27 -0.06 0.00 0.00 0.00 175.35 174.44 1ghu s PHE 125 N -3.49 -0.46 0.24 1.78 0.08 -0.53 -4.94 117.98 110.67 1ghu s PHE 125 Ca 0.61 0.62 -0.06 0.00 0.12 0.00 0.00 56.93 58.22 1ghu s PHE 125 Cb -0.11 -0.16 0.27 0.00 -0.57 0.00 0.00 43.02 42.44 1ghu s PHE 125 CO 0.50 -0.55 1.91 -0.97 -0.10 0.00 0.00 175.22 176.01 1ghu h ASN 126 N 8.27 1.07 -2.52 1.36 -1.24 -1.86 -0.40 115.58 120.25 1ghu h ASN 126 Ca -0.17 -0.02 -0.57 0.00 0.71 0.00 0.00 56.30 56.25 1ghu h ASN 126 Cb 1.14 -0.26 -0.09 0.00 0.73 0.00 0.00 38.32 39.84 1ghu h ASN 126 CO 0.23 0.76 -0.63 -0.44 -1.29 0.00 0.00 177.43 176.06 1ghu s SER 127 N -6.02 4.83 0.38 1.15 0.01 -1.26 -4.63 113.70 108.16 1ghu s SER 127 Ca -0.13 -0.45 0.12 0.00 1.31 0.00 0.00 55.95 56.80 1ghu s SER 127 Cb 0.18 -1.03 0.77 0.00 0.21 0.00 0.00 66.02 66.15 1ghu s SER 127 CO 0.81 0.04 1.87 -0.07 0.41 0.00 0.00 173.24 176.29 1ghu h LEU 128 N 2.21 0.05 -0.84 2.44 3.38 -1.94 -2.81 115.31 117.80 1ghu h LEU 128 Ca -0.46 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1ghu h LEU 128 Cb 1.23 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1ghu h LEU 128 CO 0.59 0.35 0.33 -1.13 0.09 0.00 0.00 178.44 178.68 1ghu h ASN 129 N 0.05 1.09 -0.64 -0.43 -1.24 -1.98 -2.61 115.58 109.81 1ghu h ASN 129 Ca 0.01 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 1ghu h ASN 129 Cb 0.56 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 1ghu h ASN 129 CO 0.04 0.95 0.39 -0.33 -1.29 0.00 0.00 177.43 177.19 1ghu h GLU 130 N 1.16 0.87 -0.19 6.67 5.08 -1.94 -2.68 114.58 123.55 1ghu h GLU 130 Ca 0.27 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1ghu h GLU 130 Cb 0.20 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1ghu h GLU 130 CO -0.02 0.62 -0.03 1.25 -1.00 0.00 0.00 179.01 179.82 1ghu h LEU 131 N 0.87 -0.15 -0.07 1.33 6.46 -1.43 -2.76 115.31 119.57 1ghu h LEU 131 Ca 0.23 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1ghu h LEU 131 Cb -0.03 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1ghu h LEU 131 CO -0.04 -0.05 0.02 -0.37 -0.62 0.00 0.00 178.44 177.38 1ghu h VAL 132 N 0.02 1.17 -0.19 1.05 -1.51 -1.50 -3.25 116.25 112.03 1ghu h VAL 132 Ca 0.09 -0.50 -0.07 0.00 -1.23 0.00 0.00 66.70 64.99 1ghu h VAL 132 Cb 0.13 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1ghu h VAL 132 CO -0.18 0.14 -0.19 -0.78 -1.23 0.00 0.00 177.57 175.33 1ghu h ASP 133 N -0.08 0.32 0.90 4.19 3.58 -1.52 -1.73 116.42 122.10 1ghu h ASP 133 Ca 0.02 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1ghu h ASP 133 Cb 0.20 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.18 1ghu h ASP 133 CO -0.00 0.53 -0.43 0.22 -2.88 0.00 0.00 179.24 176.68 1ghu h TYR 134 N 0.31 -1.13 0.00 0.28 3.20 -1.59 -3.28 116.97 114.77 1ghu h TYR 134 Ca 0.05 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ghu h TYR 134 Cb 0.51 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1ghu h TYR 134 CO 0.01 -0.70 0.00 0.72 -1.64 0.00 0.00 178.16 176.55 1ghu n HIS 135 N -5.59 0.00 0.08 -3.82 8.25 -1.20 -2.11 115.22 110.83 1ghu n HIS 135 Ca -0.15 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1ghu n HIS 135 Cb 0.48 -0.46 0.53 0.00 1.12 0.00 0.00 29.99 31.66 1ghu n HIS 135 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ghu h ARG 136 N 0.00 0.29 0.00 -0.41 2.43 -1.37 -3.15 114.38 112.18 1ghu h ARG 136 Ca 0.00 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 1ghu h ARG 136 Cb 0.22 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1ghu h ARG 136 CO 0.00 0.19 -2.07 0.43 -1.51 0.00 0.00 179.97 177.01 1ghu n SER 137 N -4.49 1.98 -4.90 -3.80 7.64 -1.16 -4.30 113.62 104.59 1ghu n SER 137 Ca 0.03 -0.06 -0.29 0.00 1.01 0.00 0.00 58.87 59.56 1ghu n SER 137 Cb 0.16 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.38 4.97 0.17 0.44 2.01 -0.90 -5.04 115.64 114.92 1ghu s THR 138 Ca -0.18 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1ghu s THR 138 Cb 0.06 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 1ghu s THR 138 CO 0.52 -0.41 1.12 -0.55 -0.69 0.00 0.00 174.62 174.61 1ghu s SER 139 N -3.27 7.22 -0.05 3.53 0.15 -1.26 -4.45 113.70 115.57 1ghu s SER 139 Ca 0.45 2.11 -0.21 0.00 0.70 0.00 0.00 55.95 59.00 1ghu s SER 139 Cb -0.11 -2.60 -0.16 0.00 -1.71 0.00 0.00 66.02 61.44 1ghu s SER 139 CO 0.31 -0.26 0.87 0.58 1.20 0.00 0.00 173.24 175.95 1ghu h VAL 140 N 3.78 0.86 -3.41 4.45 2.07 -1.81 -3.45 116.25 118.74 1ghu h VAL 140 Ca -0.44 -1.14 -0.62 0.00 0.82 0.00 0.00 66.70 65.32 1ghu h VAL 140 Cb 1.21 1.45 -0.15 0.00 -1.52 0.00 0.00 31.29 32.28 1ghu h VAL 140 CO 0.73 0.22 -0.53 -0.55 0.02 0.00 0.00 177.57 177.46 1ghu s SER 141 N -5.48 5.88 0.41 0.57 0.15 -1.25 -4.92 113.70 109.05 1ghu s SER 141 Ca -0.13 0.10 0.10 0.00 0.70 0.00 0.00 55.95 56.72 1ghu s SER 141 Cb 0.00 -2.03 0.87 0.00 -1.71 0.00 0.00 66.02 63.15 1ghu s SER 141 CO 0.48 0.12 1.98 0.03 1.20 0.00 0.00 173.24 177.05 1ghu h ARG 142 N 7.08 0.27 0.14 5.44 3.08 -2.01 -3.26 114.38 125.10 1ghu h ARG 142 Ca -0.38 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1ghu h ARG 142 Cb 1.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1ghu h ARG 142 CO 0.69 0.32 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.93 1ghu h ASN 143 N 0.26 -0.15 -3.52 7.04 2.35 -2.01 -3.45 115.58 116.10 1ghu h ASN 143 Ca 0.06 0.01 -0.61 0.00 -0.55 0.00 0.00 56.30 55.21 1ghu h ASN 143 Cb 0.23 0.04 -0.12 0.00 0.05 0.00 0.00 38.32 38.52 1ghu h ASN 143 CO 0.01 0.19 0.06 -1.10 -1.65 0.00 0.00 177.43 174.93 1ghu s GLN 144 N -2.09 4.11 -0.50 0.81 1.11 -1.23 -5.03 119.66 116.84 1ghu s GLN 144 Ca -0.03 0.44 -0.28 0.00 0.01 0.00 0.00 55.36 55.50 1ghu s GLN 144 Cb 0.00 -3.63 0.01 0.00 -1.01 0.00 0.00 33.01 28.38 1ghu s GLN 144 CO 0.08 -0.34 1.38 -0.65 0.01 0.00 0.00 175.29 175.77 1ghu s GLN 145 N 2.27 3.45 -0.20 2.91 -0.21 -1.26 -3.91 119.66 122.71 1ghu s GLN 145 Ca 0.24 0.63 -0.03 0.00 0.02 0.00 0.00 55.36 56.22 1ghu s GLN 145 Cb -0.16 -4.06 -0.01 0.00 1.00 0.00 0.00 33.01 29.78 1ghu s GLN 145 CO 0.09 -1.74 -0.05 0.42 -2.12 0.00 0.00 175.29 171.89 1ghu s ILE 146 N 5.63 3.41 -0.08 1.08 -1.09 -1.26 -5.00 121.20 123.89 1ghu s ILE 146 Ca 0.55 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1ghu s ILE 146 Cb -0.11 -2.53 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1ghu s ILE 146 CO 0.29 0.44 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.92 1ghu s PHE 147 N 1.20 1.84 -0.14 3.97 0.08 -1.26 -2.70 117.98 120.97 1ghu s PHE 147 Ca 0.02 -0.74 -0.29 0.00 0.12 0.00 0.00 56.93 56.04 1ghu s PHE 147 Cb -0.14 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1ghu s PHE 147 CO -0.01 -0.35 1.08 -0.51 -0.10 0.00 0.00 175.22 175.33 1ghu s LEU 148 N 0.64 4.20 0.11 -0.37 1.02 -1.19 -4.11 118.68 118.98 1ghu s LEU 148 Ca -0.14 1.55 0.06 0.00 0.02 0.00 0.00 54.13 55.62 1ghu s LEU 148 Cb -0.16 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 1ghu s LEU 148 CO 0.04 -0.57 -0.05 -0.60 0.02 0.00 0.00 176.35 175.19 1ghu s ARG 149 N 2.58 2.31 0.62 1.70 6.06 -0.70 -4.69 118.95 126.84 1ghu s ARG 149 Ca 0.49 -0.98 -0.13 0.00 -2.50 0.00 0.00 55.73 52.61 1ghu s ARG 149 Cb -0.19 -2.39 -0.03 0.00 0.06 0.00 0.00 34.95 32.40 1ghu s ARG 149 CO 0.14 0.51 1.04 -0.51 -2.50 0.00 0.00 175.30 173.99 1ghu s ASP 150 N -2.36 5.86 0.67 -2.12 1.01 -1.26 -3.02 116.67 115.45 1ghu s ASP 150 Ca 0.24 1.64 -0.17 0.00 0.71 0.00 0.00 52.55 54.97 1ghu s ASP 150 Cb -0.11 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1ghu s ASP 150 CO 0.16 -1.11 1.20 0.27 0.21 0.00 0.00 175.17 175.90 1ghu s ILE 151 N -2.81 2.53 -2.57 0.77 -0.00 -1.26 -4.70 121.20 113.16 1ghu s ILE 151 Ca 0.59 0.29 0.27 0.00 -0.00 0.00 0.00 60.65 61.81 1ghu s ILE 151 Cb -0.13 -2.95 0.50 0.00 -0.00 0.00 0.00 42.46 39.88 1ghu s ILE 151 CO 0.45 -0.11 1.68 1.21 -0.00 0.00 0.00 174.94 178.16