#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 6.37 -0.01 1.61 0.15 -1.26 -4.88 113.70 115.68 1ghu s SER 59 Ca 0.00 -0.24 -0.00 0.00 0.70 0.00 0.00 55.95 56.40 1ghu s SER 59 Cb 0.00 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1ghu s SER 59 CO 0.00 -0.97 -0.01 -2.67 1.20 0.00 0.00 173.24 170.79 1ghu n TRP 60 N 6.79 0.00 -2.74 3.44 2.14 -1.26 -4.88 117.44 120.93 1ghu n TRP 60 Ca 0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.17 1ghu n TRP 60 Cb 0.48 -0.04 -0.05 0.00 -0.81 0.00 0.00 31.31 30.89 1ghu n TRP 60 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1ghu s PHE 61 N -2.02 3.83 0.00 -2.67 5.36 -1.26 -1.67 117.98 119.54 1ghu s PHE 61 Ca -0.02 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1ghu s PHE 61 Cb 0.01 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 1ghu s PHE 61 CO 0.02 0.24 0.00 1.19 -1.46 0.00 0.00 175.22 175.21 1ghu n PHE 62 N 2.63 0.00 0.00 10.12 3.72 -1.20 -4.99 117.46 127.74 1ghu n PHE 62 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1ghu n PHE 62 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1ghu n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ghu n GLY 63 N 3.81 -0.90 3.50 1.37 0.00 -1.26 -5.03 105.19 106.68 1ghu n GLY 63 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1ghu n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghu s LYS 64 N -0.07 3.67 0.10 1.61 1.02 -1.26 -1.40 119.74 123.41 1ghu s LYS 64 Ca 0.00 -1.59 0.10 0.00 0.02 0.00 0.00 55.97 54.50 1ghu s LYS 64 Cb 0.00 -5.15 -0.04 0.00 -0.52 0.00 0.00 37.83 32.12 1ghu s LYS 64 CO 0.00 -1.98 -0.24 0.96 -0.92 0.00 0.00 175.35 173.16 1ghu s ILE 65 N 3.62 2.40 0.69 2.17 -4.36 -1.26 -5.01 121.20 119.45 1ghu s ILE 65 Ca 0.40 -1.58 -0.13 0.00 -0.26 0.00 0.00 60.65 59.09 1ghu s ILE 65 Cb -0.02 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1ghu s ILE 65 CO -0.08 0.18 1.08 -2.16 0.24 0.00 0.00 174.94 174.20 1ghu s PRO 66 N -1.84 2.74 0.16 0.37 0.04 -1.26 -4.84 135.00 130.37 1ghu s PRO 66 Ca 0.14 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1ghu s PRO 66 Cb -0.10 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1ghu s PRO 66 CO 0.06 -1.27 1.59 -0.09 0.04 0.00 0.00 177.00 177.34 1ghu h ARG 67 N -0.45 0.95 -0.47 4.56 2.43 -2.00 -2.90 114.38 116.50 1ghu h ARG 67 Ca -0.45 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.32 1ghu h ARG 67 Cb 1.23 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1ghu h ARG 67 CO 0.54 0.99 0.04 0.00 -1.51 0.00 0.00 179.97 180.03 1ghu h ALA 68 N 0.93 0.63 -0.22 2.80 0.00 -1.99 -1.96 119.26 119.44 1ghu h ALA 68 Ca 0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1ghu h ALA 68 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ghu h ALA 68 CO 0.04 0.39 -0.27 0.87 0.00 0.00 0.00 179.25 180.28 1ghu h LYS 69 N 0.66 0.43 -0.50 0.00 1.79 -1.98 -2.14 116.57 114.83 1ghu h LYS 69 Ca 0.14 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1ghu h LYS 69 Cb 0.45 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1ghu h LYS 69 CO 0.02 0.67 0.19 0.00 -1.08 0.00 0.00 179.45 179.24 1ghu h ALA 70 N 1.34 0.65 -0.70 3.86 0.00 -1.46 -2.64 119.26 120.29 1ghu h ALA 70 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ghu h ALA 70 Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ghu h ALA 70 CO 0.05 0.27 0.45 0.93 0.00 0.00 0.00 179.25 180.94 1ghu h GLU 71 N 0.66 0.94 0.16 0.00 5.08 -1.36 -2.82 114.58 117.24 1ghu h GLU 71 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ghu h GLU 71 Cb 0.21 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ghu h GLU 71 CO -0.01 0.65 -0.08 1.49 -1.00 0.00 0.00 179.01 180.06 1ghu h GLU 72 N 0.96 -0.21 -0.31 2.33 4.81 -1.38 -2.23 114.58 118.55 1ghu h GLU 72 Ca 0.26 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1ghu h GLU 72 Cb -0.07 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1ghu h GLU 72 CO -0.05 -0.07 0.16 0.52 -0.73 0.00 0.00 179.01 178.84 1ghu h MET 73 N -0.30 0.44 -0.39 1.92 2.86 -1.56 -3.25 114.93 114.66 1ghu h MET 73 Ca -0.02 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 1ghu h MET 73 Cb 0.23 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1ghu h MET 73 CO 0.04 0.39 -0.12 -0.07 1.06 0.00 0.00 176.91 178.21 1ghu h LEU 74 N 0.38 0.67 -1.98 1.22 4.07 -1.58 -3.11 115.31 114.98 1ghu h LEU 74 Ca 0.11 -0.19 0.11 0.00 0.08 0.00 0.00 57.88 57.98 1ghu h LEU 74 Cb 0.08 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1ghu h LEU 74 CO -0.02 0.82 0.28 -1.28 -1.08 0.00 0.00 178.44 177.16 1ghu h SER 75 N 0.62 0.02 -0.50 -0.43 0.87 -1.43 -2.62 113.55 110.08 1ghu h SER 75 Ca 0.11 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ghu h SER 75 Cb 0.56 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1ghu h SER 75 CO 0.04 0.01 0.30 0.11 -0.53 0.00 0.00 176.83 176.76 1ghu h LYS 76 N 0.02 0.69 -6.54 2.24 1.79 -1.58 -3.45 116.57 109.74 1ghu h LYS 76 Ca 0.18 -0.06 -0.53 0.00 -2.18 0.00 0.00 60.65 58.07 1ghu h LYS 76 Cb 0.71 -0.15 0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1ghu h LYS 76 CO -0.01 0.49 0.78 -0.65 -1.08 0.00 0.00 179.45 178.99 1ghu s GLN 77 N -5.53 4.29 0.46 3.15 1.11 -0.99 -4.97 119.66 117.19 1ghu s GLN 77 Ca -0.09 2.14 0.32 0.00 0.01 0.00 0.00 55.36 57.74 1ghu s GLN 77 Cb 0.17 -3.27 1.46 0.00 -1.01 0.00 0.00 33.01 30.37 1ghu s GLN 77 CO 0.75 -0.50 1.95 0.07 0.01 0.00 0.00 175.29 177.57 1ghu h ARG 78 N 6.95 0.00 -6.13 2.91 0.11 -1.88 -3.47 114.38 112.87 1ghu h ARG 78 Ca -0.42 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.09 1ghu h ARG 78 Cb 1.21 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.24 1ghu h ARG 78 CO 0.88 0.00 -0.04 -1.01 0.10 0.00 0.00 179.97 179.90 1ghu s HIS 79 N -3.66 3.74 -0.58 4.08 3.76 -1.26 -5.03 115.29 116.33 1ghu s HIS 79 Ca 0.00 1.21 -0.28 0.00 -0.15 0.00 0.00 55.06 55.84 1ghu s HIS 79 Cb 0.09 -2.53 0.02 0.00 1.11 0.00 0.00 32.58 31.27 1ghu s HIS 79 CO 0.42 0.47 1.30 0.16 -0.85 0.00 0.00 174.74 176.25 1ghu s ASP 80 N -0.63 6.28 0.00 1.40 -4.77 -1.26 -2.87 116.67 114.82 1ghu s ASP 80 Ca 0.29 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.70 1ghu s ASP 80 Cb -0.19 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 1ghu s ASP 80 CO 0.17 -1.61 0.00 0.61 0.70 0.00 0.00 175.17 175.04 1ghu n GLY 81 N 5.17 1.10 3.60 2.12 0.00 0.03 -4.63 105.19 112.59 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 -2.00 2.76 0.21 4.61 0.00 -1.13 -1.67 121.76 124.54 1ghu s ALA 82 Ca 0.00 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1ghu s ALA 82 Cb 0.00 -4.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 1ghu s ALA 82 CO 0.00 -2.75 -0.10 -0.59 0.00 0.00 0.00 175.76 172.32 1ghu s PHE 83 N 7.99 1.61 0.02 0.00 -0.71 -1.18 -1.39 117.98 124.32 1ghu s PHE 83 Ca 0.96 -0.70 -0.05 0.00 -1.04 0.00 0.00 56.93 56.11 1ghu s PHE 83 Cb -0.31 -0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 40.67 1ghu s PHE 83 CO 0.35 0.21 0.08 -0.48 -1.34 0.00 0.00 175.22 174.04 1ghu s LEU 84 N -3.30 1.83 -0.29 -1.99 0.05 -0.65 -4.54 118.68 109.79 1ghu s LEU 84 Ca 0.23 -0.41 -0.10 0.00 0.05 0.00 0.00 54.13 53.90 1ghu s LEU 84 Cb 0.02 0.50 -0.03 0.00 -2.05 0.00 0.00 46.19 44.63 1ghu s LEU 84 CO 0.06 -0.41 0.16 -0.63 -0.55 0.00 0.00 176.35 174.99 1ghu s ILE 85 N -1.88 4.91 -0.09 1.48 1.09 -0.67 -1.24 121.20 124.80 1ghu s ILE 85 Ca -0.11 -0.13 -0.05 0.00 -1.10 0.00 0.00 60.65 59.26 1ghu s ILE 85 Cb -0.06 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1ghu s ILE 85 CO -0.01 0.18 0.12 0.00 -0.10 0.00 0.00 174.94 175.12 1ghu s ARG 86 N 1.68 3.34 0.12 2.79 1.70 -0.86 -3.26 118.95 124.46 1ghu s ARG 86 Ca 0.06 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 1ghu s ARG 86 Cb -0.16 -3.09 -0.06 0.00 -0.57 0.00 0.00 34.95 31.07 1ghu s ARG 86 CO 0.08 0.75 0.96 -2.00 -1.08 0.00 0.00 175.30 174.01 1ghu s GLU 87 N -1.16 4.71 0.28 3.89 2.12 -0.49 -1.34 118.70 126.70 1ghu s GLU 87 Ca 0.17 1.46 -0.29 0.00 0.36 0.00 0.00 54.97 56.66 1ghu s GLU 87 Cb -0.12 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.81 1ghu s GLU 87 CO 0.06 0.23 1.16 -1.12 -0.54 0.00 0.00 175.26 175.05 1ghu s SER 88 N -0.07 7.12 -0.02 -1.70 0.01 -0.77 -4.03 113.70 114.24 1ghu s SER 88 Ca 0.47 2.36 -0.23 0.00 1.31 0.00 0.00 55.95 59.86 1ghu s SER 88 Cb -0.24 -2.63 -0.16 0.00 0.21 0.00 0.00 66.02 63.21 1ghu s SER 88 CO 0.30 -0.27 1.04 -0.33 0.41 0.00 0.00 173.24 174.40 1ghu h GLU 89 N 3.94 -0.30 -0.72 12.44 3.07 -1.90 -3.23 114.58 127.89 1ghu h GLU 89 Ca -0.47 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 1ghu h GLU 89 Cb 1.22 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.16 1ghu h GLU 89 CO 0.68 0.07 0.37 0.66 -1.40 0.00 0.00 179.01 179.39 1ghu h SER 90 N -0.81 0.91 -3.67 1.42 4.64 -1.99 -3.39 113.55 110.66 1ghu h SER 90 Ca -0.03 -0.11 -0.70 0.00 -0.47 0.00 0.00 61.79 60.48 1ghu h SER 90 Cb 0.51 -0.23 -0.34 0.00 -0.31 0.00 0.00 62.40 62.03 1ghu h SER 90 CO 0.05 0.76 -0.46 0.00 -0.87 0.00 0.00 176.83 176.32 1ghu s ALA 91 N -5.79 3.34 0.46 5.18 0.00 -1.25 -5.00 121.76 118.70 1ghu s ALA 91 Ca -0.13 -2.79 0.23 0.00 0.00 0.00 0.00 51.96 49.28 1ghu s ALA 91 Cb 0.14 -2.57 1.37 0.00 0.00 0.00 0.00 23.12 22.06 1ghu s ALA 91 CO 0.80 -1.92 2.08 -1.00 0.00 0.00 0.00 175.76 175.71 1ghu h PRO 92 N 7.77 0.00 -2.01 0.00 0.13 -1.76 -3.04 132.00 133.09 1ghu h PRO 92 Ca -0.10 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.50 1ghu h PRO 92 Cb 1.02 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.97 1ghu h PRO 92 CO 0.73 0.12 0.47 0.41 -0.23 0.00 0.00 178.00 179.50 1ghu n GLY 93 N -0.90 4.46 3.65 1.56 0.00 -1.26 -4.79 105.19 107.91 1ghu n GLY 93 Ca -0.02 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 0.23 -1.14 0.49 1.61 -1.08 -1.15 -4.54 116.67 111.08 1ghu s ASP 94 Ca 0.58 1.58 0.07 0.00 -0.52 0.00 0.00 52.55 54.26 1ghu s ASP 94 Cb 0.39 2.28 0.04 0.00 -1.46 0.00 0.00 42.92 44.16 1ghu s ASP 94 CO -0.24 -0.22 0.67 -0.36 0.52 0.00 0.00 175.17 175.54 1ghu s PHE 95 N 2.86 2.46 -0.20 -5.34 0.40 -0.98 -1.85 117.98 115.33 1ghu s PHE 95 Ca -0.06 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1ghu s PHE 95 Cb -0.12 -2.43 0.10 0.00 0.51 0.00 0.00 43.02 41.09 1ghu s PHE 95 CO -0.19 -0.71 0.30 -1.12 0.70 0.00 0.00 175.22 174.20 1ghu s SER 96 N -4.45 0.66 -0.57 1.36 0.01 -0.45 -1.67 113.70 108.59 1ghu s SER 96 Ca 0.57 0.18 -0.25 0.00 1.31 0.00 0.00 55.95 57.76 1ghu s SER 96 Cb -0.09 0.78 0.04 0.00 0.21 0.00 0.00 66.02 66.96 1ghu s SER 96 CO 0.36 -0.29 1.00 -0.22 0.41 0.00 0.00 173.24 174.49 1ghu s LEU 97 N 2.44 3.98 -0.42 2.44 2.96 -0.42 -2.02 118.68 127.65 1ghu s LEU 97 Ca 0.07 -0.34 -0.22 0.00 -0.22 0.00 0.00 54.13 53.43 1ghu s LEU 97 Cb -0.15 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.73 1ghu s LEU 97 CO -0.13 -1.31 0.71 -0.44 -1.32 0.00 0.00 176.35 173.86 1ghu s SER 98 N 2.97 6.40 -0.12 3.68 0.01 -0.37 -1.53 113.70 124.74 1ghu s SER 98 Ca 0.32 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1ghu s SER 98 Cb -0.12 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.78 1ghu s SER 98 CO 0.19 -0.79 -0.11 -0.69 0.41 0.00 0.00 173.24 172.25 1ghu s VAL 99 N 3.01 1.25 -0.86 3.43 1.01 -0.81 -1.64 120.40 125.80 1ghu s VAL 99 Ca 0.27 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1ghu s VAL 99 Cb -0.13 -1.21 0.12 0.00 0.00 0.00 0.00 36.38 35.15 1ghu s VAL 99 CO 0.19 0.40 1.08 -0.75 0.00 0.00 0.00 175.10 176.02 1ghu s LYS 100 N 1.50 3.48 -0.23 2.72 2.36 -0.49 -1.13 119.74 127.96 1ghu s LYS 100 Ca 0.03 -1.56 0.01 0.00 -2.55 0.00 0.00 55.97 51.90 1ghu s LYS 100 Cb -0.13 -4.75 0.06 0.00 -1.05 0.00 0.00 37.83 31.95 1ghu s LYS 100 CO -0.08 -1.77 -0.07 0.12 1.55 0.00 0.00 175.35 175.10 1ghu s PHE 101 N 2.96 2.44 -0.42 4.03 2.19 -0.99 -0.79 117.98 127.40 1ghu s PHE 101 Ca 0.30 -1.74 -0.01 0.00 0.33 0.00 0.00 56.93 55.81 1ghu s PHE 101 Cb -0.08 -1.61 0.00 0.00 -1.31 0.00 0.00 43.02 40.02 1ghu s PHE 101 CO -0.05 -0.77 0.41 0.41 1.83 0.00 0.00 175.22 177.05 1ghu n GLY 102 N 4.66 -0.88 4.10 13.12 0.00 -1.26 -4.03 105.19 120.90 1ghu n GLY 102 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.34 0.00 -4.02 1.61 4.13 -1.26 -4.97 115.26 109.40 1ghu n ASN 103 Ca 0.01 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.07 1ghu n ASN 103 Cb 0.48 -0.54 -0.15 0.00 -1.54 0.00 0.00 39.78 38.03 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1ghu s ASP 104 N -2.38 1.13 -0.42 6.41 1.01 -1.26 -5.10 116.67 116.06 1ghu s ASP 104 Ca 0.00 -0.17 -0.20 0.00 0.71 0.00 0.00 52.55 52.88 1ghu s ASP 104 Cb 0.00 -0.19 0.02 0.00 1.01 0.00 0.00 42.92 43.76 1ghu s ASP 104 CO 0.00 0.10 0.62 -0.69 0.21 0.00 0.00 175.17 175.40 1ghu s VAL 105 N -0.07 4.87 -0.32 -1.27 1.01 -1.26 -2.34 120.40 121.02 1ghu s VAL 105 Ca 0.01 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1ghu s VAL 105 Cb -0.05 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1ghu s VAL 105 CO -0.00 -0.51 0.16 -1.10 0.00 0.00 0.00 175.10 173.65 1ghu s GLN 106 N 2.72 3.26 -0.67 2.72 -0.21 -0.28 -4.85 119.66 122.36 1ghu s GLN 106 Ca 0.22 -0.77 -0.18 0.00 0.02 0.00 0.00 55.36 54.64 1ghu s GLN 106 Cb -0.14 -3.59 0.13 0.00 1.00 0.00 0.00 33.01 30.40 1ghu s GLN 106 CO 0.17 -0.46 0.75 -1.01 -2.12 0.00 0.00 175.29 172.63 1ghu s HIS 107 N 1.60 3.14 -0.24 0.91 3.76 -1.26 -1.93 115.29 121.27 1ghu s HIS 107 Ca 0.04 -1.19 -0.15 0.00 -0.15 0.00 0.00 55.06 53.62 1ghu s HIS 107 Cb -0.17 -4.01 -0.04 0.00 1.11 0.00 0.00 32.58 29.47 1ghu s HIS 107 CO 0.06 -1.26 0.35 -0.06 -0.85 0.00 0.00 174.74 172.99 1ghu s PHE 108 N 2.25 3.29 -0.29 1.40 0.08 -0.58 -4.92 117.98 119.21 1ghu s PHE 108 Ca 0.14 0.45 -0.29 0.00 0.12 0.00 0.00 56.93 57.35 1ghu s PHE 108 Cb -0.20 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 1ghu s PHE 108 CO 0.02 -0.12 1.26 0.15 -0.10 0.00 0.00 175.22 176.43 1ghu s LYS 109 N 1.71 3.98 -0.54 0.44 -0.14 -1.26 -1.30 119.74 122.62 1ghu s LYS 109 Ca 0.15 1.27 -0.21 0.00 -1.36 0.00 0.00 55.97 55.83 1ghu s LYS 109 Cb -0.15 -3.84 0.06 0.00 -1.68 0.00 0.00 37.83 32.21 1ghu s LYS 109 CO 0.09 -1.04 0.75 0.08 -0.76 0.00 0.00 175.35 174.48 1ghu s VAL 110 N 4.16 4.68 -0.10 3.17 1.01 -0.67 -4.61 120.40 128.03 1ghu s VAL 110 Ca 0.54 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 1ghu s VAL 110 Cb -0.17 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1ghu s VAL 110 CO 0.21 -0.99 0.47 -0.76 0.00 0.00 0.00 175.10 174.03 1ghu s LEU 111 N 3.15 4.31 0.05 3.92 1.43 -0.73 -2.31 118.68 128.49 1ghu s LEU 111 Ca 0.20 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1ghu s LEU 111 Cb -0.18 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1ghu s LEU 111 CO 0.13 0.05 0.04 -0.13 0.23 0.00 0.00 176.35 176.67 1ghu s ARG 112 N 0.37 2.81 -0.03 1.70 0.52 -1.26 -1.31 118.95 121.75 1ghu s ARG 112 Ca 0.25 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1ghu s ARG 112 Cb -0.15 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.65 1ghu s ARG 112 CO 0.11 0.58 -0.01 0.16 0.02 0.00 0.00 175.30 176.16 1ghu s ASP 113 N -2.10 0.50 0.92 0.23 -4.77 -1.12 -4.95 116.67 105.38 1ghu s ASP 113 Ca 0.25 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.46 1ghu s ASP 113 Cb -0.12 -0.25 0.00 0.00 -1.09 0.00 0.00 42.92 41.46 1ghu s ASP 113 CO 0.17 -0.09 0.00 0.61 0.70 0.00 0.00 175.17 176.56 1ghu n GLY 114 N 4.12 1.79 0.00 2.12 0.00 -1.26 -2.93 105.19 109.04 1ghu n GLY 114 Ca -0.26 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 7.23 0.00 -2.77 4.61 0.00 -1.26 -4.93 120.51 123.40 1ghu n ALA 115 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1ghu n ALA 115 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.02 3.33 0.00 0.00 -1.26 -5.09 105.19 104.15 1ghu n GLY 116 Ca 0.00 0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 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 0.67 3.21 -0.67 1.61 -0.14 -1.15 -4.41 119.74 118.87 1ghu s LYS 117 Ca 0.32 -1.88 -0.23 0.00 -1.36 0.00 0.00 55.97 52.81 1ghu s LYS 117 Cb 0.19 -4.36 0.06 0.00 -1.68 0.00 0.00 37.83 32.04 1ghu s LYS 117 CO -0.21 -1.37 1.02 0.71 -0.76 0.00 0.00 175.35 174.74 1ghu s TYR 118 N 1.38 2.60 -0.20 3.18 2.02 -0.33 -2.78 117.35 123.23 1ghu s TYR 118 Ca 0.10 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1ghu s TYR 118 Cb -0.22 -4.35 -0.01 0.00 -0.40 0.00 0.00 41.96 36.98 1ghu s TYR 118 CO -0.01 -1.72 -0.07 -0.59 -1.57 0.00 0.00 175.55 171.59 1ghu s PHE 119 N 4.38 2.92 0.00 2.71 -0.71 -0.42 -1.99 117.98 124.87 1ghu s PHE 119 Ca 0.25 -0.90 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 1ghu s PHE 119 Cb -0.15 -2.03 0.00 0.00 -1.21 0.00 0.00 43.02 39.63 1ghu s PHE 119 CO 0.12 -0.48 0.00 1.47 -1.34 0.00 0.00 175.22 174.99 1ghu n LEU 120 N 4.46 0.23 0.00 -1.99 -0.00 -1.26 -1.78 117.00 116.66 1ghu n LEU 120 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1ghu n LEU 120 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1ghu n LEU 120 CO 0.29 0.04 0.00 1.87 -0.00 0.00 0.00 177.39 179.59 1ghu n TRP 121 N -1.15 0.00 0.00 1.47 -0.00 -1.26 -4.89 117.44 111.61 1ghu n TRP 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1ghu n TRP 121 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.44 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 -1.61 0.00 -2.97 5.87 0.31 -1.26 -5.12 118.33 113.56 1ghu n VAL 122 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1ghu n VAL 122 Cb 0.00 -0.41 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 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 -0.64 4.44 0.48 2.52 0.11 -1.26 -5.02 120.40 121.03 1ghu s VAL 123 Ca 0.00 1.44 -0.18 0.00 -2.93 0.00 0.00 61.98 60.31 1ghu s VAL 123 Cb 0.00 -3.85 -0.09 0.00 -1.53 0.00 0.00 36.38 30.91 1ghu s VAL 123 CO 0.00 0.07 0.97 -1.59 -3.33 0.00 0.00 175.10 171.23 1ghu s LYS 124 N -2.27 4.04 -0.10 1.54 0.00 -1.26 -4.54 119.74 117.16 1ghu s LYS 124 Ca 0.49 1.04 -0.00 0.00 0.00 0.00 0.00 55.97 57.50 1ghu s LYS 124 Cb -0.16 -2.15 0.02 0.00 0.00 0.00 0.00 37.83 35.55 1ghu s LYS 124 CO 0.20 -0.19 -0.07 -0.06 0.00 0.00 0.00 175.35 175.23 1ghu s PHE 125 N -2.42 1.40 0.05 1.78 0.08 -0.84 -4.90 117.98 113.12 1ghu s PHE 125 Ca 0.61 -0.66 -0.24 0.00 0.12 0.00 0.00 56.93 56.75 1ghu s PHE 125 Cb -0.10 -1.17 -0.17 0.00 -0.57 0.00 0.00 43.02 41.01 1ghu s PHE 125 CO 0.24 -0.47 1.56 -0.97 -0.10 0.00 0.00 175.22 175.48 1ghu h ASN 126 N 8.04 -0.01 -3.21 1.36 -1.24 -1.89 -0.87 115.58 117.76 1ghu h ASN 126 Ca -0.29 -0.18 -0.57 0.00 0.71 0.00 0.00 56.30 55.96 1ghu h ASN 126 Cb 1.14 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.15 1ghu h ASN 126 CO 0.40 0.18 -0.25 -0.55 -1.29 0.00 0.00 177.43 175.93 1ghu s SER 127 N -5.37 6.57 0.25 1.15 0.15 -1.26 -4.65 113.70 110.54 1ghu s SER 127 Ca -0.14 0.73 0.01 0.00 0.70 0.00 0.00 55.95 57.25 1ghu s SER 127 Cb 0.04 -2.15 0.31 0.00 -1.71 0.00 0.00 66.02 62.52 1ghu s SER 127 CO 0.66 0.06 1.65 0.25 1.20 0.00 0.00 173.24 177.07 1ghu h LEU 128 N 3.04 0.51 -0.83 3.45 5.85 -1.91 -2.80 115.31 122.62 1ghu h LEU 128 Ca -0.47 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1ghu h LEU 128 Cb 1.17 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1ghu h LEU 128 CO 0.70 0.82 0.46 0.78 -0.34 0.00 0.00 178.44 180.87 1ghu h ASN 129 N 0.41 1.03 -0.65 1.25 2.35 -1.99 -2.74 115.58 115.24 1ghu h ASN 129 Ca 0.05 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1ghu h ASN 129 Cb 0.81 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 1ghu h ASN 129 CO 0.07 0.82 0.40 -0.08 -1.65 0.00 0.00 177.43 176.99 1ghu h GLU 130 N 1.15 0.77 -0.46 0.81 4.81 -1.97 -2.05 114.58 117.64 1ghu h GLU 130 Ca 0.29 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1ghu h GLU 130 Cb 0.01 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.16 1ghu h GLU 130 CO -0.05 0.51 0.09 1.25 -0.73 0.00 0.00 179.01 180.08 1ghu h LEU 131 N 0.79 0.01 0.74 1.64 6.46 -1.42 -2.63 115.31 120.90 1ghu h LEU 131 Ca 0.26 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 1ghu h LEU 131 Cb 0.01 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1ghu h LEU 131 CO -0.10 0.04 -0.46 0.58 -0.62 0.00 0.00 178.44 177.88 1ghu h VAL 132 N 0.23 0.00 0.00 1.05 2.07 -1.38 -3.07 116.25 115.15 1ghu h VAL 132 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1ghu h VAL 132 Cb 0.29 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1ghu h VAL 132 CO -0.29 0.00 -0.05 -2.24 0.02 0.00 0.00 177.57 175.01 1ghu h ASP 133 N -1.13 0.00 0.66 0.57 3.04 -1.39 -1.56 116.42 116.62 1ghu h ASP 133 Ca -0.10 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.66 1ghu h ASP 133 Cb 0.90 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.20 1ghu h ASP 133 CO 0.10 0.05 -0.32 0.22 -2.04 0.00 0.00 179.24 177.25 1ghu h TYR 134 N 0.00 -0.82 0.00 4.15 3.20 -1.55 -3.31 116.97 118.64 1ghu h TYR 134 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ghu h TYR 134 Cb 0.09 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1ghu h TYR 134 CO 0.00 -0.48 0.00 0.72 -1.64 0.00 0.00 178.16 176.76 1ghu n HIS 135 N -5.38 0.00 0.24 -3.82 8.25 -1.13 -2.13 115.22 111.24 1ghu n HIS 135 Ca -0.12 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.42 1ghu n HIS 135 Cb 0.37 -0.46 0.62 0.00 1.12 0.00 0.00 29.99 31.63 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 0.04 0.00 -0.41 2.43 -1.37 -3.19 114.38 111.88 1ghu h ARG 136 Ca 0.00 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1ghu h ARG 136 Cb 0.18 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1ghu h ARG 136 CO 0.00 0.04 -1.78 0.43 -1.51 0.00 0.00 179.97 177.15 1ghu n SER 137 N -4.52 2.32 -4.90 -3.80 7.64 -1.14 -4.19 113.62 105.02 1ghu n SER 137 Ca -0.03 -0.01 -0.28 0.00 1.01 0.00 0.00 58.87 59.56 1ghu n SER 137 Cb 0.10 0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 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 -2.27 4.99 0.15 0.44 2.01 -0.90 -5.02 115.64 115.04 1ghu s THR 138 Ca -0.07 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1ghu s THR 138 Cb 0.04 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 1ghu s THR 138 CO 0.44 -0.42 1.30 -0.55 -0.69 0.00 0.00 174.62 174.71 1ghu s SER 139 N -3.33 6.93 0.02 3.53 0.15 -1.26 -4.48 113.70 115.26 1ghu s SER 139 Ca 0.45 2.31 -0.23 0.00 0.70 0.00 0.00 55.95 59.18 1ghu s SER 139 Cb -0.10 -2.60 -0.16 0.00 -1.71 0.00 0.00 66.02 61.45 1ghu s SER 139 CO 0.32 -0.53 1.37 0.58 1.20 0.00 0.00 173.24 176.17 1ghu h VAL 140 N 3.99 1.33 0.00 4.45 2.07 -1.81 -3.46 116.25 122.82 1ghu h VAL 140 Ca -0.44 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1ghu h VAL 140 Cb 1.21 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1ghu h VAL 140 CO 0.80 0.30 0.00 -0.24 0.02 0.00 0.00 177.57 178.45 1ghu n SER 141 N -4.74 0.00 0.00 0.57 2.88 -1.26 -4.73 113.62 106.33 1ghu n SER 141 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ghu n SER 141 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1ghu n SER 141 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ghu n ARG 142 N 0.00 0.00 0.39 -1.46 3.00 -1.26 -4.95 116.66 112.37 1ghu n ARG 142 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 1ghu n ARG 142 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 1ghu n ARG 142 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1ghu h ASN 143 N 0.00 -0.81 1.59 6.15 -0.73 -2.01 -3.22 115.58 116.54 1ghu h ASN 143 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1ghu h ASN 143 Cb 0.00 0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1ghu h ASN 143 CO 0.00 -0.58 0.00 1.56 -0.37 0.00 0.00 177.43 178.04 1ghu h GLN 144 N -0.96 0.00 -5.33 6.67 4.20 -2.00 -3.49 115.11 114.20 1ghu h GLN 144 Ca -0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1ghu h GLN 144 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1ghu h GLN 144 CO 0.16 0.00 -0.41 1.04 -0.67 0.00 0.00 178.83 178.95 1ghu n GLN 145 N -2.47 -2.16 -2.89 1.46 6.02 -1.22 -4.96 117.38 111.17 1ghu n GLN 145 Ca 0.05 1.98 -0.41 0.00 -0.01 0.00 0.00 57.00 58.61 1ghu n GLN 145 Cb 0.45 -5.62 -0.04 0.00 1.02 0.00 0.00 30.24 26.05 1ghu n GLN 145 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ghu s ILE 146 N -2.67 4.89 -0.15 5.09 1.09 -1.26 -4.93 121.20 123.25 1ghu s ILE 146 Ca 0.20 1.64 -0.00 0.00 -1.10 0.00 0.00 60.65 61.39 1ghu s ILE 146 Cb -0.05 -4.14 0.03 0.00 -1.06 0.00 0.00 42.46 37.24 1ghu s ILE 146 CO 0.77 0.04 -0.09 -0.36 -0.10 0.00 0.00 174.94 175.21 1ghu s PHE 147 N 2.04 1.87 0.26 3.97 0.08 -1.26 -2.90 117.98 122.04 1ghu s PHE 147 Ca 0.39 -1.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.03 1ghu s PHE 147 Cb -0.17 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 1ghu s PHE 147 CO 0.13 -0.62 1.24 -0.51 -0.10 0.00 0.00 175.22 175.36 1ghu s LEU 148 N 1.58 4.46 0.03 -0.37 1.02 -1.21 -4.05 118.68 120.14 1ghu s LEU 148 Ca 0.02 2.43 0.02 0.00 0.02 0.00 0.00 54.13 56.62 1ghu s LEU 148 Cb -0.14 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.42 1ghu s LEU 148 CO -0.09 -0.41 -0.07 -0.13 0.02 0.00 0.00 176.35 175.67 1ghu s ARG 149 N -0.97 0.52 0.45 1.70 1.81 -0.67 -4.74 118.95 117.07 1ghu s ARG 149 Ca 0.51 -0.59 -0.22 0.00 -1.72 0.00 0.00 55.73 53.71 1ghu s ARG 149 Cb -0.36 -0.37 -0.08 0.00 -0.45 0.00 0.00 34.95 33.69 1ghu s ARG 149 CO 0.43 0.08 1.10 -0.51 -0.68 0.00 0.00 175.30 175.73 1ghu s ASP 150 N -1.11 6.33 0.52 0.23 1.01 -1.26 -3.08 116.67 119.30 1ghu s ASP 150 Ca -0.06 2.15 -0.21 0.00 0.71 0.00 0.00 52.55 55.14 1ghu s ASP 150 Cb -0.07 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 1ghu s ASP 150 CO 0.00 -0.80 1.17 0.27 0.21 0.00 0.00 175.17 176.02 1ghu s ILE 151 N -1.68 2.99 -2.57 0.77 -4.36 -1.26 -4.82 121.20 110.27 1ghu s ILE 151 Ca 0.63 0.68 0.27 0.00 -0.26 0.00 0.00 60.65 61.98 1ghu s ILE 151 Cb -0.24 -3.31 0.50 0.00 1.25 0.00 0.00 42.46 40.66 1ghu s ILE 151 CO 0.29 -0.08 1.68 1.21 0.24 0.00 0.00 174.94 178.28