#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 -3.73 0.12 1.61 7.64 -1.26 -4.61 113.62 113.40 1ghu n SER 59 Ca 0.00 0.38 -0.24 0.00 1.01 0.00 0.00 58.87 60.02 1ghu n SER 59 Cb 0.00 -1.98 -0.16 0.00 -1.01 0.00 0.00 64.21 61.06 1ghu n SER 59 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1ghu h TRP 60 N 1.02 0.88 -3.32 1.43 5.08 -1.96 -3.39 115.95 115.69 1ghu h TRP 60 Ca 0.00 -0.64 -0.57 0.00 1.08 0.00 0.00 58.89 58.76 1ghu h TRP 60 Cb 0.00 -0.04 -0.05 0.00 -3.00 0.00 0.00 29.16 26.07 1ghu h TRP 60 CO 0.00 1.59 0.37 0.12 -1.28 0.00 0.00 178.44 179.24 1ghu s PHE 61 N -2.60 3.50 0.00 0.12 5.36 -1.26 -3.11 117.98 119.99 1ghu s PHE 61 Ca -0.11 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1ghu s PHE 61 Cb 0.05 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1ghu s PHE 61 CO 0.91 -0.15 0.00 1.19 -1.46 0.00 0.00 175.22 175.72 1ghu n PHE 62 N 4.76 0.00 -0.15 10.12 3.01 -1.19 -4.97 117.46 129.04 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 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 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 2.39 -1.65 3.63 1.37 0.00 -1.13 -4.88 105.19 104.92 1ghu n GLY 63 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ghu n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ghu n LYS 64 N 0.94 0.00 -1.82 1.61 3.00 -1.26 -4.77 118.16 115.85 1ghu n LYS 64 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1ghu n LYS 64 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 35.03 33.20 1ghu n LYS 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1ghu s ILE 65 N -2.06 2.26 1.07 3.15 2.07 -1.26 -4.90 121.20 121.53 1ghu s ILE 65 Ca 0.00 0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 59.28 1ghu s ILE 65 Cb 0.00 -3.13 0.12 0.00 0.13 0.00 0.00 42.46 39.58 1ghu s ILE 65 CO 0.00 0.02 0.31 -2.65 -1.91 0.00 0.00 174.94 170.71 1ghu n PRO 66 N 3.48 -1.33 -0.18 3.50 -0.02 -1.26 -4.73 135.00 134.46 1ghu n PRO 66 Ca 0.13 -0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.16 1ghu n PRO 66 Cb 0.37 -1.84 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1ghu n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ghu h ARG 67 N -2.02 0.84 -0.38 -0.52 2.43 -1.95 -2.20 114.38 110.58 1ghu h ARG 67 Ca -0.52 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 58.34 1ghu h ARG 67 Cb 1.33 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1ghu h ARG 67 CO 0.39 0.82 -0.15 0.00 -1.51 0.00 0.00 179.97 179.52 1ghu h ALA 68 N 0.98 0.53 -0.36 2.80 0.00 -1.99 -2.14 119.26 119.07 1ghu h ALA 68 Ca 0.16 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1ghu h ALA 68 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ghu h ALA 68 CO 0.01 0.44 -0.16 0.87 0.00 0.00 0.00 179.25 180.41 1ghu h LYS 69 N 0.56 0.65 -0.29 0.00 1.57 -1.94 -2.14 116.57 114.98 1ghu h LYS 69 Ca 0.09 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1ghu h LYS 69 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1ghu h LYS 69 CO 0.05 0.78 0.10 0.00 -0.57 0.00 0.00 179.45 179.80 1ghu h ALA 70 N 1.24 0.38 -0.50 3.86 0.00 -1.42 -2.65 119.26 120.18 1ghu h ALA 70 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ghu h ALA 70 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ghu h ALA 70 CO 0.04 0.01 0.31 0.93 0.00 0.00 0.00 179.25 180.54 1ghu h GLU 71 N 0.32 0.60 -0.23 0.00 5.08 -1.43 -2.75 114.58 116.18 1ghu h GLU 71 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ghu h GLU 71 Cb 0.23 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1ghu h GLU 71 CO -0.00 0.40 0.13 1.49 -1.00 0.00 0.00 179.01 180.03 1ghu h GLU 72 N 0.62 0.31 -0.45 2.33 4.81 -1.42 -2.01 114.58 118.78 1ghu h GLU 72 Ca 0.20 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1ghu h GLU 72 Cb -0.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1ghu h GLU 72 CO -0.07 0.27 0.00 0.52 -0.73 0.00 0.00 179.01 179.00 1ghu h MET 73 N 0.27 0.73 0.00 1.92 2.86 -1.53 -3.35 114.93 115.83 1ghu h MET 73 Ca 0.08 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1ghu h MET 73 Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ghu h MET 73 CO -0.01 0.74 -1.20 1.28 1.06 0.00 0.00 176.91 178.77 1ghu n LEU 74 N -4.23 0.85 -0.15 1.22 4.32 -1.04 -4.39 117.00 113.58 1ghu n LEU 74 Ca 0.02 0.35 -0.09 0.00 -0.02 0.00 0.00 56.01 56.27 1ghu n LEU 74 Cb 0.28 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.08 1ghu n LEU 74 CO 0.41 -0.03 0.89 0.28 -1.22 0.00 0.00 177.39 177.71 1ghu h SER 75 N 0.00 0.65 0.81 -1.43 0.02 -1.49 -3.18 113.55 108.94 1ghu h SER 75 Ca -0.08 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1ghu h SER 75 Cb 1.27 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ghu h SER 75 CO 0.02 0.70 -0.08 0.07 -1.14 0.00 0.00 176.83 176.40 1ghu h LYS 76 N 0.57 0.00 -6.81 3.45 -0.00 -1.78 -3.44 116.57 108.57 1ghu h LYS 76 Ca 0.14 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 60.26 1ghu h LYS 76 Cb 0.29 0.00 0.08 0.00 -0.00 0.00 0.00 32.23 32.60 1ghu h LYS 76 CO -0.00 0.08 0.87 -0.65 -0.00 0.00 0.00 179.45 179.75 1ghu s GLN 77 N -3.78 4.13 0.41 0.07 -0.21 -1.20 -4.97 119.66 114.11 1ghu s GLN 77 Ca -0.00 2.56 0.25 0.00 0.02 0.00 0.00 55.36 58.18 1ghu s GLN 77 Cb 0.10 -3.03 0.52 0.00 1.00 0.00 0.00 33.01 31.61 1ghu s GLN 77 CO 0.56 -0.61 1.67 0.07 -2.12 0.00 0.00 175.29 174.87 1ghu h ARG 78 N 4.77 0.00 -5.56 2.91 0.11 -1.89 -3.47 114.38 111.25 1ghu h ARG 78 Ca -0.47 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 58.99 1ghu h ARG 78 Cb 1.22 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.17 1ghu h ARG 78 CO 0.78 0.00 0.21 -1.01 0.10 0.00 0.00 179.97 180.05 1ghu s HIS 79 N -3.24 3.15 -0.25 4.08 3.76 -1.26 -4.94 115.29 116.59 1ghu s HIS 79 Ca 0.07 0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 55.13 1ghu s HIS 79 Cb 0.07 -3.18 -0.02 0.00 1.11 0.00 0.00 32.58 30.55 1ghu s HIS 79 CO 0.64 -0.63 1.67 -0.51 -0.85 0.00 0.00 174.74 175.07 1ghu s ASP 80 N 1.77 6.24 0.00 1.40 1.11 -1.26 -2.33 116.67 123.60 1ghu s ASP 80 Ca 0.26 1.54 0.00 0.00 0.18 0.00 0.00 52.55 54.53 1ghu s ASP 80 Cb -0.14 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1ghu s ASP 80 CO 0.15 -1.39 0.00 0.61 1.18 0.00 0.00 175.17 175.72 1ghu n GLY 81 N 4.90 1.05 3.61 0.21 0.00 -0.40 -4.83 105.19 109.72 1ghu n GLY 81 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.11 0.31 4.61 0.00 -0.98 -1.56 121.76 125.25 1ghu s ALA 82 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 51.96 51.91 1ghu s ALA 82 Cb 0.00 -3.91 -0.06 0.00 0.00 0.00 0.00 23.12 19.15 1ghu s ALA 82 CO 0.00 -2.28 -0.13 -0.59 0.00 0.00 0.00 175.76 172.76 1ghu s PHE 83 N 5.14 2.32 -0.02 0.00 -0.71 -0.97 -2.53 117.98 121.21 1ghu s PHE 83 Ca 0.59 -0.45 0.01 0.00 -1.04 0.00 0.00 56.93 56.03 1ghu s PHE 83 Cb -0.13 -1.21 0.01 0.00 -1.21 0.00 0.00 43.02 40.48 1ghu s PHE 83 CO 0.31 0.61 -0.01 -0.48 -1.34 0.00 0.00 175.22 174.31 1ghu s LEU 84 N -3.56 1.56 -0.50 -1.99 0.05 -0.97 -4.33 118.68 108.94 1ghu s LEU 84 Ca 0.31 -0.03 -0.21 0.00 0.05 0.00 0.00 54.13 54.25 1ghu s LEU 84 Cb -0.00 -0.17 0.04 0.00 -2.05 0.00 0.00 46.19 44.01 1ghu s LEU 84 CO 0.15 -0.04 0.72 -0.63 -0.55 0.00 0.00 176.35 176.00 1ghu s ILE 85 N 0.51 4.73 0.41 1.48 1.01 -1.18 -1.55 121.20 126.62 1ghu s ILE 85 Ca -0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1ghu s ILE 85 Cb -0.08 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1ghu s ILE 85 CO -0.01 -0.83 0.73 0.00 0.00 0.00 0.00 174.94 174.82 1ghu s ARG 86 N 3.04 3.63 0.08 2.79 1.70 -0.96 -2.86 118.95 126.37 1ghu s ARG 86 Ca 0.21 0.22 -0.23 0.00 -0.47 0.00 0.00 55.73 55.46 1ghu s ARG 86 Cb -0.16 -2.45 -0.06 0.00 -0.57 0.00 0.00 34.95 31.71 1ghu s ARG 86 CO 0.16 -0.05 0.68 -2.00 -1.08 0.00 0.00 175.30 173.01 1ghu s GLU 87 N -4.22 4.40 -1.01 3.89 2.12 -1.26 -1.35 118.70 121.27 1ghu s GLU 87 Ca 0.48 0.94 -0.23 0.00 0.36 0.00 0.00 54.97 56.51 1ghu s GLU 87 Cb -0.10 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 31.02 1ghu s GLU 87 CO 0.37 0.48 1.59 0.45 -0.54 0.00 0.00 175.26 177.61 1ghu s SER 88 N -0.67 6.17 0.00 -1.70 0.15 -1.02 -4.33 113.70 112.31 1ghu s SER 88 Ca 0.34 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1ghu s SER 88 Cb -0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1ghu s SER 88 CO 0.22 -1.81 0.00 -0.62 1.20 0.00 0.00 173.24 172.22 1ghu n GLU 89 N 8.85 0.00 -2.90 5.44 1.02 -1.26 -3.04 120.64 128.74 1ghu n GLU 89 Ca 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1ghu n GLU 89 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.96 1ghu n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ghu n SER 90 N 4.87 -1.25 -4.05 1.62 2.88 -1.26 -4.79 113.62 111.63 1ghu n SER 90 Ca 0.00 -3.40 -0.33 0.00 -1.33 0.00 0.00 58.87 53.82 1ghu n SER 90 Cb 0.00 0.98 -0.14 0.00 -0.75 0.00 0.00 64.21 64.30 1ghu n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ghu s ALA 91 N -0.63 2.99 0.06 -1.46 0.00 -1.17 -5.11 121.76 116.45 1ghu s ALA 91 Ca 0.29 -2.55 -0.31 0.00 0.00 0.00 0.00 51.96 49.39 1ghu s ALA 91 Cb 0.30 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.24 1ghu s ALA 91 CO -0.08 -1.73 1.30 -1.25 0.00 0.00 0.00 175.76 174.00 1ghu s PRO 92 N 0.96 4.36 0.00 0.00 0.04 -1.26 -2.53 135.00 136.57 1ghu s PRO 92 Ca 0.10 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ghu s PRO 92 Cb -0.20 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1ghu s PRO 92 CO -0.07 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1ghu n GLY 93 N 3.40 3.06 3.48 0.56 0.00 -1.26 -5.01 105.19 109.41 1ghu n GLY 93 Ca 0.11 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 6.22 0.42 1.61 1.01 -1.05 -4.61 116.67 120.27 1ghu s ASP 94 Ca 0.00 -0.78 0.07 0.00 0.71 0.00 0.00 52.55 52.55 1ghu s ASP 94 Cb 0.00 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1ghu s ASP 94 CO 0.00 -1.40 0.20 -0.36 0.21 0.00 0.00 175.17 173.82 1ghu s PHE 95 N 4.13 2.54 -0.13 4.23 0.08 -1.02 -2.42 117.98 125.39 1ghu s PHE 95 Ca 0.25 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.68 1ghu s PHE 95 Cb -0.15 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1ghu s PHE 95 CO 0.13 0.13 0.01 -1.12 -0.10 0.00 0.00 175.22 174.26 1ghu s SER 96 N -3.94 2.23 -0.50 1.36 0.01 -0.46 -1.42 113.70 110.98 1ghu s SER 96 Ca 0.40 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1ghu s SER 96 Cb 0.03 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.74 1ghu s SER 96 CO 0.22 -0.24 1.16 -0.22 0.41 0.00 0.00 173.24 174.57 1ghu s LEU 97 N 1.90 3.60 -0.78 2.44 2.96 -0.41 -2.26 118.68 126.12 1ghu s LEU 97 Ca 0.02 0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 54.25 1ghu s LEU 97 Cb -0.14 -3.48 0.20 0.00 0.50 0.00 0.00 46.19 43.27 1ghu s LEU 97 CO -0.07 -1.30 0.68 -0.44 -1.32 0.00 0.00 176.35 173.90 1ghu s SER 98 N 2.59 6.22 -0.20 3.68 0.01 -0.59 -1.40 113.70 124.01 1ghu s SER 98 Ca 0.48 -2.89 -0.08 0.00 1.31 0.00 0.00 55.95 54.77 1ghu s SER 98 Cb -0.07 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1ghu s SER 98 CO 0.31 -0.45 0.08 -0.69 0.41 0.00 0.00 173.24 172.89 1ghu s VAL 99 N -0.13 4.79 0.32 3.43 1.01 -0.84 -2.30 120.40 126.68 1ghu s VAL 99 Ca 0.19 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1ghu s VAL 99 Cb -0.13 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1ghu s VAL 99 CO -0.07 0.42 1.04 -1.59 0.00 0.00 0.00 175.10 174.90 1ghu s LYS 100 N 0.67 4.52 -0.28 2.72 0.00 -1.05 -1.36 119.74 124.97 1ghu s LYS 100 Ca 0.04 1.61 0.00 0.00 0.00 0.00 0.00 55.97 57.62 1ghu s LYS 100 Cb -0.13 -2.96 0.16 0.00 0.00 0.00 0.00 37.83 34.90 1ghu s LYS 100 CO 0.02 0.16 0.42 0.12 0.00 0.00 0.00 175.35 176.06 1ghu s PHE 101 N -1.37 -1.04 0.00 1.78 5.36 -0.98 -1.28 117.98 120.45 1ghu s PHE 101 Ca 0.49 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1ghu s PHE 101 Cb -0.26 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.39 1ghu s PHE 101 CO 0.33 -0.90 0.00 0.41 -1.46 0.00 0.00 175.22 173.61 1ghu n GLY 102 N 5.37 1.94 0.00 13.12 0.00 -1.26 -3.65 105.19 120.71 1ghu n GLY 102 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ghu n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ghu n ASN 103 N 5.13 0.68 -4.79 1.61 2.85 -1.26 -4.94 115.26 114.54 1ghu n ASN 103 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 1ghu n ASN 103 Cb 0.00 0.08 -0.06 0.00 1.24 0.00 0.00 39.78 41.04 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1ghu s ASP 104 N -1.05 7.28 -0.27 1.20 1.01 -1.24 -4.42 116.67 119.18 1ghu s ASP 104 Ca 0.00 1.52 -0.09 0.00 0.71 0.00 0.00 52.55 54.69 1ghu s ASP 104 Cb 0.00 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1ghu s ASP 104 CO 0.00 0.23 0.12 -0.69 0.21 0.00 0.00 175.17 175.04 1ghu s VAL 105 N -1.15 4.68 -0.29 -1.27 1.01 -1.26 -2.31 120.40 119.81 1ghu s VAL 105 Ca 0.34 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1ghu s VAL 105 Cb -0.22 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1ghu s VAL 105 CO 0.24 0.27 0.33 -1.10 0.00 0.00 0.00 175.10 174.83 1ghu s GLN 106 N 1.66 3.88 -0.42 2.72 -0.21 -0.46 -4.89 119.66 121.93 1ghu s GLN 106 Ca 0.06 -0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.13 1ghu s GLN 106 Cb -0.16 -3.70 0.04 0.00 1.00 0.00 0.00 33.01 30.19 1ghu s GLN 106 CO 0.06 -0.32 0.32 -1.01 -2.12 0.00 0.00 175.29 172.22 1ghu s HIS 107 N 1.98 3.24 -0.21 0.91 3.76 -1.26 -1.99 115.29 121.73 1ghu s HIS 107 Ca 0.12 -0.72 -0.05 0.00 -0.15 0.00 0.00 55.06 54.26 1ghu s HIS 107 Cb -0.16 -2.74 -0.02 0.00 1.11 0.00 0.00 32.58 30.77 1ghu s HIS 107 CO 0.11 -0.65 -0.00 -0.06 -0.85 0.00 0.00 174.74 173.28 1ghu s PHE 108 N 1.66 3.02 -0.11 1.40 0.08 -0.49 -4.94 117.98 118.59 1ghu s PHE 108 Ca 0.04 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 1ghu s PHE 108 Cb -0.20 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1ghu s PHE 108 CO 0.09 -0.31 1.06 0.21 -0.10 0.00 0.00 175.22 176.17 1ghu s LYS 109 N 1.13 4.38 -0.47 0.44 2.47 -1.26 -1.29 119.74 125.14 1ghu s LYS 109 Ca 0.03 1.45 -0.17 0.00 -1.56 0.00 0.00 55.97 55.72 1ghu s LYS 109 Cb -0.14 -3.56 0.05 0.00 -1.46 0.00 0.00 37.83 32.71 1ghu s LYS 109 CO 0.01 -0.39 0.48 0.08 0.16 0.00 0.00 175.35 175.68 1ghu s VAL 110 N 2.24 5.08 0.56 4.02 1.01 -0.51 -4.62 120.40 128.18 1ghu s VAL 110 Ca 0.50 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1ghu s VAL 110 Cb -0.19 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1ghu s VAL 110 CO 0.17 -0.60 0.77 -0.76 0.00 0.00 0.00 175.10 174.67 1ghu s LEU 111 N 2.09 3.25 -0.04 3.92 1.43 -0.71 -2.42 118.68 126.20 1ghu s LEU 111 Ca 0.10 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1ghu s LEU 111 Cb -0.21 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1ghu s LEU 111 CO 0.10 -1.26 -0.20 -0.13 0.23 0.00 0.00 176.35 175.09 1ghu s ARG 112 N -4.68 1.99 -0.05 1.70 1.81 -1.26 -1.95 118.95 116.51 1ghu s ARG 112 Ca 0.60 -0.73 -0.01 0.00 -1.72 0.00 0.00 55.73 53.87 1ghu s ARG 112 Cb -0.07 -1.76 0.03 0.00 -0.45 0.00 0.00 34.95 32.70 1ghu s ARG 112 CO 0.38 0.34 0.00 0.16 -0.68 0.00 0.00 175.30 175.50 1ghu s ASP 113 N -0.15 1.13 0.24 0.23 -4.77 -0.98 -4.99 116.67 107.38 1ghu s ASP 113 Ca -0.01 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.19 1ghu s ASP 113 Cb -0.11 -0.34 0.00 0.00 -1.09 0.00 0.00 42.92 41.38 1ghu s ASP 113 CO 0.02 -0.16 0.00 0.61 0.70 0.00 0.00 175.17 176.34 1ghu n GLY 114 N 4.77 1.00 0.00 2.12 0.00 -1.26 -3.96 105.19 107.85 1ghu n GLY 114 Ca -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 3.82 0.00 -3.18 4.61 0.00 -1.26 -4.89 120.51 119.62 1ghu n ALA 115 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1ghu n ALA 115 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 2.43 3.64 3.07 0.00 0.00 -1.26 -5.09 105.19 107.97 1ghu n GLY 116 Ca 0.00 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.20 2.42 -0.12 1.61 3.01 -1.25 -4.70 119.74 118.51 1ghu s LYS 117 Ca 0.39 -1.12 -0.20 0.00 -1.01 0.00 0.00 55.97 54.04 1ghu s LYS 117 Cb 0.29 -2.72 -0.04 0.00 -1.01 0.00 0.00 37.83 34.35 1ghu s LYS 117 CO -0.09 -0.44 0.57 0.71 0.51 0.00 0.00 175.35 176.61 1ghu s TYR 118 N 1.20 3.50 -0.09 3.18 2.02 -0.77 -2.31 117.35 124.07 1ghu s TYR 118 Ca -0.04 0.99 0.03 0.00 -0.37 0.00 0.00 57.07 57.68 1ghu s TYR 118 Cb -0.17 -2.68 0.01 0.00 -0.40 0.00 0.00 41.96 38.71 1ghu s TYR 118 CO -0.08 0.06 -0.17 -0.59 -1.57 0.00 0.00 175.55 173.20 1ghu s PHE 119 N 0.99 2.01 -0.08 2.71 -0.71 -0.82 -0.91 117.98 121.18 1ghu s PHE 119 Ca 0.30 -0.84 -0.03 0.00 -1.04 0.00 0.00 56.93 55.31 1ghu s PHE 119 Cb -0.16 -1.41 -0.01 0.00 -1.21 0.00 0.00 43.02 40.23 1ghu s PHE 119 CO 0.13 -0.39 -0.07 1.25 -1.34 0.00 0.00 175.22 174.80 1ghu h LEU 120 N 6.99 0.00 0.00 -1.99 6.46 -1.82 -1.88 115.31 123.07 1ghu h LEU 120 Ca -0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1ghu h LEU 120 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1ghu h LEU 120 CO 0.48 0.40 0.00 0.79 -0.62 0.00 0.00 178.44 179.49 1ghu n TRP 121 N -3.68 0.00 0.06 1.25 8.01 -1.26 -4.82 117.44 117.00 1ghu n TRP 121 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 1ghu n TRP 121 Cb 0.10 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 1ghu n TRP 121 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 1ghu n VAL 122 N -1.80 0.00 -2.70 -0.99 3.14 -1.26 -5.13 118.33 109.59 1ghu n VAL 122 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1ghu n VAL 122 Cb 0.00 -0.09 -0.05 0.00 -1.06 0.00 0.00 33.84 32.64 1ghu n VAL 122 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ghu s VAL 123 N -2.00 4.13 0.53 1.55 0.11 -1.26 -4.93 120.40 118.54 1ghu s VAL 123 Ca 0.00 1.99 -0.16 0.00 -2.93 0.00 0.00 61.98 60.89 1ghu s VAL 123 Cb 0.00 -4.27 -0.07 0.00 -1.53 0.00 0.00 36.38 30.51 1ghu s VAL 123 CO 0.00 0.41 1.00 -1.59 -3.33 0.00 0.00 175.10 171.59 1ghu s LYS 124 N -0.77 3.87 -0.24 1.54 -2.85 -1.26 -4.54 119.74 115.49 1ghu s LYS 124 Ca 0.44 0.93 -0.04 0.00 -1.00 0.00 0.00 55.97 56.30 1ghu s LYS 124 Cb -0.26 -2.12 0.09 0.00 -2.06 0.00 0.00 37.83 33.47 1ghu s LYS 124 CO 0.32 -0.34 0.13 -0.06 0.10 0.00 0.00 175.35 175.51 1ghu s PHE 125 N -2.70 0.16 0.20 1.78 0.08 -0.09 -4.98 117.98 112.43 1ghu s PHE 125 Ca 0.58 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 56.95 1ghu s PHE 125 Cb -0.10 -0.74 0.18 0.00 -0.57 0.00 0.00 43.02 41.78 1ghu s PHE 125 CO 0.35 -0.70 1.62 -2.95 -0.10 0.00 0.00 175.22 173.44 1ghu h ASN 126 N 8.39 -0.73 -1.91 1.36 -1.07 -1.89 -2.05 115.58 117.68 1ghu h ASN 126 Ca -0.17 0.19 -0.46 0.00 0.07 0.00 0.00 56.30 55.92 1ghu h ASN 126 Cb 1.08 0.42 -0.01 0.00 -2.07 0.00 0.00 38.32 37.74 1ghu h ASN 126 CO 0.36 -0.24 -0.40 -0.44 0.07 0.00 0.00 177.43 176.79 1ghu s SER 127 N -5.19 5.85 0.23 6.14 0.01 -1.26 -4.30 113.70 115.18 1ghu s SER 127 Ca -0.14 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 1ghu s SER 127 Cb 0.17 -1.31 0.23 0.00 0.21 0.00 0.00 66.02 65.33 1ghu s SER 127 CO 0.72 -0.31 1.70 0.25 0.41 0.00 0.00 173.24 176.00 1ghu h LEU 128 N 1.07 0.84 -1.14 2.44 5.85 -1.93 -2.76 115.31 119.68 1ghu h LEU 128 Ca -0.47 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 57.95 1ghu h LEU 128 Cb 1.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1ghu h LEU 128 CO 0.56 0.94 -0.15 -1.13 -0.34 0.00 0.00 178.44 178.32 1ghu h ASN 129 N 0.79 0.41 -0.63 1.25 -0.73 -1.96 -2.78 115.58 111.92 1ghu h ASN 129 Ca 0.14 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1ghu h ASN 129 Cb 0.54 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1ghu h ASN 129 CO 0.03 0.59 0.32 -0.08 -0.37 0.00 0.00 177.43 177.92 1ghu h GLU 130 N 0.39 0.90 -0.49 6.67 4.57 -1.89 -1.18 114.58 123.56 1ghu h GLU 130 Ca 0.07 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ghu h GLU 130 Cb 0.49 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1ghu h GLU 130 CO 0.03 0.71 0.31 1.25 -1.18 0.00 0.00 179.01 180.14 1ghu h LEU 131 N 0.87 0.57 0.45 1.64 6.46 -1.49 -2.42 115.31 121.39 1ghu h LEU 131 Ca 0.22 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1ghu h LEU 131 Cb 0.10 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1ghu h LEU 131 CO -0.03 0.43 -0.45 0.58 -0.62 0.00 0.00 178.44 178.36 1ghu h VAL 132 N 0.66 0.00 -0.55 1.05 2.07 -1.47 -3.08 116.25 114.94 1ghu h VAL 132 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1ghu h VAL 132 Cb -0.05 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1ghu h VAL 132 CO -0.04 0.00 0.36 -0.78 0.02 0.00 0.00 177.57 177.14 1ghu h ASP 133 N -0.89 0.53 0.43 0.57 3.58 -1.24 -1.81 116.42 117.58 1ghu h ASP 133 Ca -0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1ghu h ASP 133 Cb 0.77 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1ghu h ASP 133 CO -0.05 0.36 -0.32 0.22 -2.88 0.00 0.00 179.24 176.57 1ghu h TYR 134 N 0.61 -0.85 0.00 0.28 3.20 -1.50 -3.18 116.97 115.53 1ghu h TYR 134 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ghu h TYR 134 Cb 0.13 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1ghu h TYR 134 CO -0.00 -0.47 0.00 0.72 -1.64 0.00 0.00 178.16 176.77 1ghu n HIS 135 N -5.44 0.00 0.07 -3.82 8.25 -1.01 -1.75 115.22 111.51 1ghu n HIS 135 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1ghu n HIS 135 Cb 0.34 -0.45 0.32 0.00 1.12 0.00 0.00 29.99 31.32 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 0.33 0.06 -0.41 3.08 -1.32 -3.15 114.38 112.98 1ghu h ARG 136 Ca 0.00 -0.09 -0.38 0.00 0.07 0.00 0.00 59.98 59.58 1ghu h ARG 136 Cb 0.27 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1ghu h ARG 136 CO 0.00 0.50 -2.23 0.43 -1.07 0.00 0.00 179.97 177.59 1ghu n SER 137 N -4.21 2.05 -4.87 7.04 7.64 -1.15 -4.41 113.62 115.70 1ghu n SER 137 Ca -0.00 0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.60 1ghu n SER 137 Cb 0.32 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 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 -2.54 4.92 0.12 0.44 2.01 -0.72 -5.07 115.64 114.81 1ghu s THR 138 Ca -0.29 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1ghu s THR 138 Cb 0.08 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1ghu s THR 138 CO 0.68 -0.01 1.02 -0.94 -0.69 0.00 0.00 174.62 174.68 1ghu s SER 139 N -2.24 7.39 0.02 3.53 1.04 -1.26 -4.39 113.70 117.78 1ghu s SER 139 Ca 0.46 1.89 -0.25 0.00 0.48 0.00 0.00 55.95 58.52 1ghu s SER 139 Cb -0.12 -2.59 -0.17 0.00 0.10 0.00 0.00 66.02 63.24 1ghu s SER 139 CO 0.21 -0.16 1.38 0.58 0.98 0.00 0.00 173.24 176.23 1ghu h VAL 140 N 4.04 0.94 -2.79 5.02 2.07 -1.74 -3.43 116.25 120.37 1ghu h VAL 140 Ca -0.43 -0.58 -0.64 0.00 0.82 0.00 0.00 66.70 65.86 1ghu h VAL 140 Cb 1.21 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1ghu h VAL 140 CO 0.73 0.13 -0.44 -0.44 0.02 0.00 0.00 177.57 177.57 1ghu s SER 141 N -5.24 6.44 -0.06 0.57 0.01 -1.26 -5.00 113.70 109.16 1ghu s SER 141 Ca -0.15 0.49 -0.25 0.00 1.31 0.00 0.00 55.95 57.36 1ghu s SER 141 Cb 0.03 -2.07 -0.20 0.00 0.21 0.00 0.00 66.02 64.00 1ghu s SER 141 CO 0.61 0.32 1.00 0.03 0.41 0.00 0.00 173.24 175.61 1ghu h ARG 142 N 4.34 -0.08 0.58 12.44 -0.00 -2.01 -3.36 114.38 126.29 1ghu h ARG 142 Ca -0.52 0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 58.94 1ghu h ARG 142 Cb 1.21 0.02 0.01 0.00 0.00 0.00 0.00 29.97 31.20 1ghu h ARG 142 CO 0.64 0.49 -0.28 -0.91 0.00 0.00 0.00 179.97 179.91 1ghu h ASN 143 N -0.74 -0.66 -3.49 7.04 2.35 -2.00 -3.40 115.58 114.69 1ghu h ASN 143 Ca -0.01 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.16 1ghu h ASN 143 Cb 0.61 0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.07 1ghu h ASN 143 CO 0.01 -0.26 0.76 -1.10 -1.65 0.00 0.00 177.43 175.20 1ghu s GLN 144 N -4.22 3.88 -0.71 0.81 -0.21 -1.26 -5.00 119.66 112.94 1ghu s GLN 144 Ca -0.12 0.73 -0.27 0.00 0.02 0.00 0.00 55.36 55.72 1ghu s GLN 144 Cb 0.01 -3.81 0.03 0.00 1.00 0.00 0.00 33.01 30.24 1ghu s GLN 144 CO 0.37 -1.05 1.26 1.14 -2.12 0.00 0.00 175.29 174.90 1ghu s GLN 145 N 3.79 3.25 -0.46 2.91 -2.07 -1.26 -4.06 119.66 121.75 1ghu s GLN 145 Ca 0.43 -0.16 -0.15 0.00 -1.82 0.00 0.00 55.36 53.65 1ghu s GLN 145 Cb -0.11 -4.15 0.06 0.00 -1.09 0.00 0.00 33.01 27.72 1ghu s GLN 145 CO 0.21 -2.06 0.37 0.42 -1.32 0.00 0.00 175.29 172.91 1ghu s ILE 146 N 5.57 5.22 -0.16 3.63 -1.09 -1.26 -4.98 121.20 128.14 1ghu s ILE 146 Ca 0.36 -0.98 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 1ghu s ILE 146 Cb -0.08 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1ghu s ILE 146 CO 0.17 -0.52 -0.10 -0.36 -1.23 0.00 0.00 174.94 172.91 1ghu s PHE 147 N 1.65 2.88 0.07 3.97 0.08 -1.26 -2.26 117.98 123.11 1ghu s PHE 147 Ca 0.04 -0.68 -0.30 0.00 0.12 0.00 0.00 56.93 56.11 1ghu s PHE 147 Cb -0.23 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1ghu s PHE 147 CO 0.07 -0.27 1.11 -0.51 -0.10 0.00 0.00 175.22 175.52 1ghu s LEU 148 N 0.64 4.40 0.03 -0.37 1.02 -1.19 -4.26 118.68 118.95 1ghu s LEU 148 Ca -0.05 1.92 0.02 0.00 0.02 0.00 0.00 54.13 56.04 1ghu s LEU 148 Cb -0.15 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 1ghu s LEU 148 CO 0.03 -0.35 -0.07 -0.60 0.02 0.00 0.00 176.35 175.37 1ghu s ARG 149 N 0.73 0.50 0.97 1.70 3.52 -0.60 -4.72 118.95 121.05 1ghu s ARG 149 Ca 0.55 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 1ghu s ARG 149 Cb -0.27 -0.28 0.17 0.00 -1.56 0.00 0.00 34.95 33.01 1ghu s ARG 149 CO 0.30 0.05 1.09 -0.51 -0.81 0.00 0.00 175.30 175.42 1ghu s ASP 150 N -1.36 2.72 0.93 -2.12 1.01 -1.26 -2.29 116.67 114.29 1ghu s ASP 150 Ca -0.09 1.67 -0.11 0.00 0.71 0.00 0.00 52.55 54.74 1ghu s ASP 150 Cb -0.09 -2.31 0.15 0.00 1.01 0.00 0.00 42.92 41.68 1ghu s ASP 150 CO 0.00 -3.14 1.10 0.27 0.21 0.00 0.00 175.17 173.62 1ghu s ILE 151 N -2.74 2.42 -2.00 0.77 -5.25 -1.26 -4.57 121.20 108.57 1ghu s ILE 151 Ca 0.65 0.14 0.24 0.00 -0.99 0.00 0.00 60.65 60.69 1ghu s ILE 151 Cb -0.21 -2.34 0.69 0.00 2.95 0.00 0.00 42.46 43.55 1ghu s ILE 151 CO 0.59 -0.18 1.81 1.21 -1.79 0.00 0.00 174.94 176.59