#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 6.43 -0.17 1.61 0.15 -1.26 -4.82 113.70 115.64 1ghu s SER 59 Ca 0.00 0.51 -0.20 0.00 0.70 0.00 0.00 55.95 56.97 1ghu s SER 59 Cb 0.00 -2.27 -0.22 0.00 -1.71 0.00 0.00 66.02 61.82 1ghu s SER 59 CO 0.00 -0.25 0.35 4.11 1.20 0.00 0.00 173.24 178.65 1ghu h TRP 60 N 7.93 0.14 -3.57 3.44 5.08 -1.97 -3.46 115.95 123.53 1ghu h TRP 60 Ca -0.30 -0.10 -0.52 0.00 1.08 0.00 0.00 58.89 59.05 1ghu h TRP 60 Cb 1.15 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.28 1ghu h TRP 60 CO 0.74 1.49 0.33 0.12 -1.28 0.00 0.00 178.44 179.84 1ghu s PHE 61 N -2.39 3.82 0.00 0.12 5.36 -1.26 -2.20 117.98 121.43 1ghu s PHE 61 Ca -0.25 1.77 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 1ghu s PHE 61 Cb 0.05 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1ghu s PHE 61 CO 0.65 0.25 0.00 1.19 -1.46 0.00 0.00 175.22 175.85 1ghu n PHE 62 N 2.63 0.00 0.00 10.12 3.72 -1.25 -5.02 117.46 127.66 1ghu n PHE 62 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1ghu n PHE 62 Cb 0.49 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 3.47 -0.67 2.96 1.37 0.00 -1.26 -5.00 105.19 106.06 1ghu n GLY 63 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 2.52 -0.09 1.61 2.20 -1.26 -1.62 119.74 123.09 1ghu s LYS 64 Ca 0.00 -3.13 0.00 0.00 -0.36 0.00 0.00 55.97 52.48 1ghu s LYS 64 Cb 0.00 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1ghu s LYS 64 CO 0.00 -1.24 -0.09 -1.50 -0.36 0.00 0.00 175.35 172.16 1ghu s ILE 65 N -1.11 3.51 0.69 5.43 -1.16 -1.26 -4.95 121.20 122.36 1ghu s ILE 65 Ca 0.23 -0.53 -0.17 0.00 -0.51 0.00 0.00 60.65 59.67 1ghu s ILE 65 Cb -0.11 -2.45 -0.07 0.00 0.61 0.00 0.00 42.46 40.44 1ghu s ILE 65 CO -0.12 0.56 0.36 -2.65 -2.81 0.00 0.00 174.94 170.29 1ghu n PRO 66 N 2.75 0.27 -0.12 3.50 -0.02 -1.26 -4.74 135.00 135.37 1ghu n PRO 66 Ca -0.18 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.36 1ghu n PRO 66 Cb 0.53 -1.65 0.10 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.28 0.85 -0.29 -0.52 2.43 -1.99 -2.55 114.38 112.03 1ghu h ARG 67 Ca -0.45 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 58.34 1ghu h ARG 67 Cb 1.37 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1ghu h ARG 67 CO 0.42 0.91 -0.20 0.00 -1.51 0.00 0.00 179.97 179.58 1ghu h ALA 68 N 1.12 0.42 -0.43 2.80 0.00 -1.99 -1.95 119.26 119.23 1ghu h ALA 68 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ghu h ALA 68 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ghu h ALA 68 CO 0.04 0.36 -0.12 -0.22 0.00 0.00 0.00 179.25 179.31 1ghu h LYS 69 N 0.40 0.79 -0.37 0.00 1.63 -1.96 -2.13 116.57 114.93 1ghu h LYS 69 Ca 0.06 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1ghu h LYS 69 Cb 0.75 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1ghu h LYS 69 CO 0.06 0.87 0.18 0.00 -3.45 0.00 0.00 179.45 177.10 1ghu h ALA 70 N 1.16 0.48 -0.28 5.00 0.00 -1.50 -2.88 119.26 121.24 1ghu h ALA 70 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ghu h ALA 70 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ghu h ALA 70 CO 0.04 0.03 -0.09 0.93 0.00 0.00 0.00 179.25 180.17 1ghu h GLU 71 N 0.46 0.45 -0.04 0.00 5.08 -1.39 -2.62 114.58 116.52 1ghu h GLU 71 Ca 0.13 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ghu h GLU 71 Cb 0.11 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ghu h GLU 71 CO -0.02 0.55 0.02 1.49 -1.00 0.00 0.00 179.01 180.05 1ghu h GLU 72 N 0.43 0.06 -0.23 2.33 4.81 -1.38 -1.91 114.58 118.69 1ghu h GLU 72 Ca 0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1ghu h GLU 72 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1ghu h GLU 72 CO 0.02 0.13 0.10 0.52 -0.73 0.00 0.00 179.01 179.06 1ghu h MET 73 N -0.03 0.33 0.00 1.92 2.86 -1.55 -3.23 114.93 115.23 1ghu h MET 73 Ca 0.01 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1ghu h MET 73 Cb 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1ghu h MET 73 CO -0.00 0.36 -0.21 -0.07 1.06 0.00 0.00 176.91 178.04 1ghu h LEU 74 N 0.22 0.00 -1.38 1.22 4.07 -1.54 -3.04 115.31 114.87 1ghu h LEU 74 Ca 0.08 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1ghu h LEU 74 Cb 0.14 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1ghu h LEU 74 CO -0.01 0.21 0.44 -1.28 -1.08 0.00 0.00 178.44 176.73 1ghu h SER 75 N 0.00 0.71 -0.57 -0.43 0.87 -1.36 -2.68 113.55 110.08 1ghu h SER 75 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ghu h SER 75 Cb 0.58 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1ghu h SER 75 CO 0.03 0.49 0.33 0.11 -0.53 0.00 0.00 176.83 177.26 1ghu h LYS 76 N 0.82 0.81 -6.26 2.24 1.79 -1.61 -3.43 116.57 110.93 1ghu h LYS 76 Ca 0.26 -0.08 -0.55 0.00 -2.18 0.00 0.00 60.65 58.10 1ghu h LYS 76 Cb 0.03 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1ghu h LYS 76 CO -0.07 0.59 1.10 -0.65 -1.08 0.00 0.00 179.45 179.34 1ghu s GLN 77 N -5.57 4.14 0.36 3.15 1.11 -1.01 -4.95 119.66 116.89 1ghu s GLN 77 Ca -0.10 2.15 0.27 0.00 0.01 0.00 0.00 55.36 57.69 1ghu s GLN 77 Cb 0.17 -3.99 0.95 0.00 -1.01 0.00 0.00 33.01 29.12 1ghu s GLN 77 CO 0.77 -0.90 1.79 0.07 0.01 0.00 0.00 175.29 177.03 1ghu h ARG 78 N 9.70 0.00 -6.26 2.91 0.11 -1.85 -3.48 114.38 115.50 1ghu h ARG 78 Ca -0.39 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.12 1ghu h ARG 78 Cb 1.18 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.21 1ghu h ARG 78 CO 0.96 0.00 -0.06 -1.01 0.10 0.00 0.00 179.97 179.96 1ghu s HIS 79 N -3.35 3.73 -0.25 4.08 3.76 -1.26 -4.97 115.29 117.03 1ghu s HIS 79 Ca 0.05 1.19 -0.27 0.00 -0.15 0.00 0.00 55.06 55.88 1ghu s HIS 79 Cb 0.09 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1ghu s HIS 79 CO 0.53 0.53 0.93 -0.51 -0.85 0.00 0.00 174.74 175.36 1ghu s ASP 80 N -1.34 6.94 0.00 1.40 1.11 -1.26 -3.55 116.67 119.96 1ghu s ASP 80 Ca 0.32 1.15 0.00 0.00 0.18 0.00 0.00 52.55 54.20 1ghu s ASP 80 Cb -0.18 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.33 1ghu s ASP 80 CO 0.19 -0.61 0.00 0.61 1.18 0.00 0.00 175.17 176.54 1ghu n GLY 81 N 3.62 1.45 3.60 0.21 0.00 -0.64 -4.78 105.19 108.64 1ghu n GLY 81 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.74 2.77 0.26 4.61 0.00 -1.23 -1.72 121.76 124.71 1ghu s ALA 82 Ca 0.00 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1ghu s ALA 82 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.01 1ghu s ALA 82 CO 0.00 -2.75 -0.06 -0.59 0.00 0.00 0.00 175.76 172.36 1ghu s PHE 83 N 7.85 1.86 -0.02 0.00 -0.71 -1.18 -1.58 117.98 124.20 1ghu s PHE 83 Ca 0.94 -0.71 -0.01 0.00 -1.04 0.00 0.00 56.93 56.11 1ghu s PHE 83 Cb -0.29 -1.04 0.02 0.00 -1.21 0.00 0.00 43.02 40.50 1ghu s PHE 83 CO 0.35 0.24 0.04 -0.48 -1.34 0.00 0.00 175.22 174.03 1ghu s LEU 84 N -3.40 1.36 -0.30 -1.99 0.05 -0.73 -4.59 118.68 109.09 1ghu s LEU 84 Ca 0.28 0.07 -0.22 0.00 0.05 0.00 0.00 54.13 54.32 1ghu s LEU 84 Cb 0.03 0.04 -0.01 0.00 -2.05 0.00 0.00 46.19 44.21 1ghu s LEU 84 CO 0.11 -0.08 0.71 -0.63 -0.55 0.00 0.00 176.35 175.91 1ghu s ILE 85 N 0.66 4.87 -0.04 1.48 1.01 -0.94 -1.72 121.20 126.53 1ghu s ILE 85 Ca -0.05 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.68 1ghu s ILE 85 Cb -0.08 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1ghu s ILE 85 CO -0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 174.94 174.68 1ghu s ARG 86 N 2.77 2.66 0.22 2.79 1.70 -0.99 -3.75 118.95 124.35 1ghu s ARG 86 Ca 0.29 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 1ghu s ARG 86 Cb -0.15 -2.55 -0.08 0.00 -0.57 0.00 0.00 34.95 31.60 1ghu s ARG 86 CO 0.12 0.64 0.95 -2.00 -1.08 0.00 0.00 175.30 173.92 1ghu s GLU 87 N -1.08 4.83 0.10 3.89 2.12 -0.64 -1.31 118.70 126.60 1ghu s GLU 87 Ca 0.15 1.49 -0.31 0.00 0.36 0.00 0.00 54.97 56.66 1ghu s GLU 87 Cb -0.11 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 30.91 1ghu s GLU 87 CO 0.04 0.46 1.43 0.45 -0.54 0.00 0.00 175.26 177.10 1ghu s SER 88 N -0.96 6.79 0.02 -1.70 0.15 -0.66 -4.09 113.70 113.24 1ghu s SER 88 Ca 0.42 2.33 -0.23 0.00 0.70 0.00 0.00 55.95 59.18 1ghu s SER 88 Cb -0.26 -2.58 -0.16 0.00 -1.71 0.00 0.00 66.02 61.31 1ghu s SER 88 CO 0.32 -0.70 1.37 -0.33 1.20 0.00 0.00 173.24 175.10 1ghu h GLU 89 N 7.09 0.19 -0.74 5.44 5.08 -1.91 -3.10 114.58 126.62 1ghu h GLU 89 Ca -0.42 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1ghu h GLU 89 Cb 1.20 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1ghu h GLU 89 CO 0.88 0.55 0.44 1.03 -1.00 0.00 0.00 179.01 180.91 1ghu h SER 90 N -0.19 0.89 -4.16 1.42 0.87 -1.99 -3.38 113.55 107.02 1ghu h SER 90 Ca 0.02 -0.05 -0.65 0.00 -1.23 0.00 0.00 61.79 59.88 1ghu h SER 90 Cb 0.50 -0.22 -0.40 0.00 -0.44 0.00 0.00 62.40 61.83 1ghu h SER 90 CO 0.01 0.69 -0.65 0.00 -0.53 0.00 0.00 176.83 176.35 1ghu s ALA 91 N -5.74 3.20 0.58 6.23 0.00 -1.22 -5.01 121.76 119.78 1ghu s ALA 91 Ca -0.11 -3.05 0.28 0.00 0.00 0.00 0.00 51.96 49.08 1ghu s ALA 91 Cb 0.17 -2.12 1.56 0.00 0.00 0.00 0.00 23.12 22.73 1ghu s ALA 91 CO 0.79 -1.92 2.03 -1.35 0.00 0.00 0.00 175.76 175.31 1ghu h PRO 92 N 6.86 0.00 -1.91 0.00 0.11 -1.72 -2.79 132.00 132.54 1ghu h PRO 92 Ca -0.07 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.55 1ghu h PRO 92 Cb 0.93 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.86 1ghu h PRO 92 CO 0.64 0.00 0.44 0.41 -0.21 0.00 0.00 178.00 179.29 1ghu n GLY 93 N -1.47 4.42 3.64 -0.55 0.00 -1.26 -4.87 105.19 105.11 1ghu n GLY 93 Ca 0.04 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 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 0.19 -1.00 0.48 1.61 2.15 -1.05 -4.66 116.67 114.39 1ghu s ASP 94 Ca 0.55 1.53 0.00 0.00 0.43 0.00 0.00 52.55 55.06 1ghu s ASP 94 Cb 0.37 1.66 0.00 0.00 -0.30 0.00 0.00 42.92 44.66 1ghu s ASP 94 CO -0.20 -0.23 0.71 -0.36 -0.17 0.00 0.00 175.17 174.91 1ghu s PHE 95 N 2.01 3.16 -0.16 -5.34 0.08 -1.11 -1.66 117.98 114.96 1ghu s PHE 95 Ca -0.09 0.22 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1ghu s PHE 95 Cb -0.07 -2.42 0.07 0.00 -0.57 0.00 0.00 43.02 40.03 1ghu s PHE 95 CO -0.20 -0.49 0.17 -1.12 -0.10 0.00 0.00 175.22 173.49 1ghu s SER 96 N -4.26 1.43 -0.51 1.36 0.01 -0.43 -1.55 113.70 109.75 1ghu s SER 96 Ca 0.50 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.31 1ghu s SER 96 Cb -0.10 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.37 1ghu s SER 96 CO 0.38 -0.31 1.16 -0.22 0.41 0.00 0.00 173.24 174.66 1ghu s LEU 97 N 2.27 3.57 -0.62 2.44 2.96 -0.62 -2.34 118.68 126.35 1ghu s LEU 97 Ca 0.05 0.34 -0.16 0.00 -0.22 0.00 0.00 54.13 54.14 1ghu s LEU 97 Cb -0.15 -3.42 0.15 0.00 0.50 0.00 0.00 46.19 43.28 1ghu s LEU 97 CO -0.10 -1.34 0.59 -0.44 -1.32 0.00 0.00 176.35 173.74 1ghu s SER 98 N 2.65 6.35 -0.19 3.68 0.01 -0.70 -1.46 113.70 124.04 1ghu s SER 98 Ca 0.46 -2.02 -0.05 0.00 1.31 0.00 0.00 55.95 55.65 1ghu s SER 98 Cb -0.07 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1ghu s SER 98 CO 0.30 -0.80 0.01 -0.69 0.41 0.00 0.00 173.24 172.47 1ghu s VAL 99 N 1.28 4.11 -0.44 3.43 1.01 -0.79 -1.76 120.40 127.23 1ghu s VAL 99 Ca 0.08 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 1ghu s VAL 99 Cb -0.24 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1ghu s VAL 99 CO -0.00 0.44 1.31 -0.75 0.00 0.00 0.00 175.10 176.10 1ghu s LYS 100 N 0.79 3.62 -0.36 2.72 2.47 -0.62 -1.26 119.74 127.10 1ghu s LYS 100 Ca 0.01 0.77 0.00 0.00 -1.56 0.00 0.00 55.97 55.19 1ghu s LYS 100 Cb -0.14 -3.99 0.14 0.00 -1.46 0.00 0.00 37.83 32.38 1ghu s LYS 100 CO 0.02 -1.52 0.21 0.12 0.16 0.00 0.00 175.35 174.34 1ghu s PHE 101 N 5.10 0.78 -0.27 4.03 5.36 -0.98 -1.62 117.98 130.38 1ghu s PHE 101 Ca 0.56 -1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 54.84 1ghu s PHE 101 Cb -0.11 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 1ghu s PHE 101 CO 0.32 -0.83 0.29 0.41 -1.46 0.00 0.00 175.22 173.96 1ghu n GLY 102 N 4.03 -0.84 4.17 13.12 0.00 -1.26 -4.08 105.19 120.33 1ghu n GLY 102 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.90 0.00 -3.91 1.61 3.02 -1.26 -4.96 115.26 108.86 1ghu n ASN 103 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 1ghu n ASN 103 Cb 0.36 -0.74 -0.13 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.60 0.14 -0.35 6.41 1.01 -1.26 -5.11 116.67 114.92 1ghu s ASP 104 Ca 0.00 -0.14 -0.19 0.00 0.71 0.00 0.00 52.55 52.93 1ghu s ASP 104 Cb 0.00 0.02 -0.00 0.00 1.01 0.00 0.00 42.92 43.95 1ghu s ASP 104 CO 0.00 -0.07 0.56 -0.69 0.21 0.00 0.00 175.17 175.18 1ghu s VAL 105 N -0.39 4.97 -0.30 -1.27 1.01 -1.26 -2.32 120.40 120.84 1ghu s VAL 105 Ca -0.04 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1ghu s VAL 105 Cb -0.03 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ghu s VAL 105 CO -0.00 -0.26 0.37 -1.10 0.00 0.00 0.00 175.10 174.11 1ghu s GLN 106 N 2.51 3.86 -0.56 2.72 -0.21 -0.39 -4.89 119.66 122.69 1ghu s GLN 106 Ca 0.21 -0.13 -0.16 0.00 0.02 0.00 0.00 55.36 55.30 1ghu s GLN 106 Cb -0.15 -3.71 0.13 0.00 1.00 0.00 0.00 33.01 30.28 1ghu s GLN 106 CO 0.14 -0.36 0.54 -1.01 -2.12 0.00 0.00 175.29 172.47 1ghu s HIS 107 N 2.06 3.23 -0.26 0.91 3.76 -1.26 -1.89 115.29 121.84 1ghu s HIS 107 Ca 0.14 -1.27 -0.14 0.00 -0.15 0.00 0.00 55.06 53.64 1ghu s HIS 107 Cb -0.16 -3.83 -0.04 0.00 1.11 0.00 0.00 32.58 29.66 1ghu s HIS 107 CO 0.11 -1.06 0.31 -0.06 -0.85 0.00 0.00 174.74 173.19 1ghu s PHE 108 N 1.70 3.27 -0.27 1.40 0.08 -0.54 -4.92 117.98 118.71 1ghu s PHE 108 Ca 0.05 0.36 -0.29 0.00 0.12 0.00 0.00 56.93 57.17 1ghu s PHE 108 Cb -0.28 -2.49 -0.00 0.00 -0.57 0.00 0.00 43.02 39.68 1ghu s PHE 108 CO 0.03 -0.14 1.29 -1.59 -0.10 0.00 0.00 175.22 174.71 1ghu s LYS 109 N 1.76 3.98 -0.47 0.44 -2.85 -1.26 -1.58 119.74 119.76 1ghu s LYS 109 Ca 0.13 1.33 -0.23 0.00 -1.00 0.00 0.00 55.97 56.20 1ghu s LYS 109 Cb -0.15 -3.85 0.03 0.00 -2.06 0.00 0.00 37.83 31.79 1ghu s LYS 109 CO 0.09 -1.03 0.81 0.08 0.10 0.00 0.00 175.35 175.40 1ghu s VAL 110 N 4.19 4.61 0.13 1.79 1.01 -0.60 -4.77 120.40 126.76 1ghu s VAL 110 Ca 0.56 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1ghu s VAL 110 Cb -0.18 -4.36 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1ghu s VAL 110 CO 0.21 -0.78 0.49 -0.76 0.00 0.00 0.00 175.10 174.26 1ghu s LEU 111 N 3.39 4.33 -0.13 3.92 1.43 -0.93 -2.74 118.68 127.95 1ghu s LEU 111 Ca 0.30 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 1ghu s LEU 111 Cb -0.12 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1ghu s LEU 111 CO 0.22 0.12 -0.18 -0.13 0.23 0.00 0.00 176.35 176.61 1ghu s ARG 112 N -2.01 2.58 -0.44 1.70 0.52 -1.26 -0.95 118.95 119.09 1ghu s ARG 112 Ca 0.37 -0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1ghu s ARG 112 Cb -0.14 -2.16 0.12 0.00 0.52 0.00 0.00 34.95 33.29 1ghu s ARG 112 CO 0.19 -0.07 0.26 0.16 0.02 0.00 0.00 175.30 175.87 1ghu s ASP 113 N 0.98 5.40 -0.06 0.23 -4.77 -1.02 -4.87 116.67 112.56 1ghu s ASP 113 Ca -0.05 -2.04 -0.00 0.00 -3.30 0.00 0.00 52.55 47.15 1ghu s ASP 113 Cb -0.15 -1.89 0.00 0.00 -1.09 0.00 0.00 42.92 39.79 1ghu s ASP 113 CO -0.03 -0.58 0.01 0.61 0.70 0.00 0.00 175.17 175.88 1ghu n GLY 114 N 4.63 -2.96 5.65 2.12 0.00 -1.26 -3.86 105.19 109.51 1ghu n GLY 114 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.09 0.00 -2.73 4.61 0.00 -1.26 -4.13 120.51 117.10 1ghu n ALA 115 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 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 0.00 -0.78 3.23 0.00 0.00 -1.26 -5.05 105.19 101.32 1ghu n GLY 116 Ca 0.00 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 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 0.73 2.66 -0.72 1.61 -0.14 -1.25 -4.74 119.74 117.89 1ghu s LYS 117 Ca 0.29 -1.89 -0.27 0.00 -1.36 0.00 0.00 55.97 52.74 1ghu s LYS 117 Cb 0.12 -4.01 0.03 0.00 -1.68 0.00 0.00 37.83 32.29 1ghu s LYS 117 CO -0.12 -1.22 1.27 0.71 -0.76 0.00 0.00 175.35 175.22 1ghu s TYR 118 N 1.17 2.33 -0.31 3.18 2.02 -0.37 -2.44 117.35 122.93 1ghu s TYR 118 Ca 0.07 0.02 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 1ghu s TYR 118 Cb -0.25 -4.61 0.02 0.00 -0.40 0.00 0.00 41.96 36.72 1ghu s TYR 118 CO -0.01 -2.00 0.08 -0.59 -1.57 0.00 0.00 175.55 171.46 1ghu s PHE 119 N 5.61 3.18 -0.12 2.71 -0.71 -0.12 -1.82 117.98 126.70 1ghu s PHE 119 Ca 0.36 -1.13 -0.06 0.00 -1.04 0.00 0.00 56.93 55.06 1ghu s PHE 119 Cb -0.08 -2.25 -0.05 0.00 -1.21 0.00 0.00 43.02 39.42 1ghu s PHE 119 CO 0.17 -0.63 -0.16 -0.11 -1.34 0.00 0.00 175.22 173.15 1ghu n LEU 120 N 4.84 0.98 -3.79 -1.99 7.94 -1.26 -2.18 117.00 121.54 1ghu n LEU 120 Ca -0.14 0.14 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 1ghu n LEU 120 Cb 0.47 -0.37 -0.15 0.00 0.53 0.00 0.00 43.42 43.90 1ghu n LEU 120 CO 0.31 0.28 -0.34 0.86 -1.11 0.00 0.00 177.39 177.39 1ghu s TRP 121 N -2.23 1.98 0.00 1.96 -0.00 -1.26 -4.99 118.94 114.41 1ghu s TRP 121 Ca -0.17 -1.82 0.00 0.00 -0.00 0.00 0.00 56.10 54.11 1ghu s TRP 121 Cb 0.07 -1.80 0.00 0.00 -0.00 0.00 0.00 33.47 31.74 1ghu s TRP 121 CO 0.22 -0.85 0.00 1.33 -0.00 0.00 0.00 176.95 177.65 1ghu n VAL 122 N 4.77 0.00 -2.80 5.86 0.24 -1.26 -4.84 118.33 120.30 1ghu n VAL 122 Ca -0.03 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.93 1ghu n VAL 122 Cb 0.43 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 1ghu n VAL 122 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ghu s VAL 123 N 0.00 4.32 0.49 3.34 0.11 -1.26 -5.02 120.40 122.38 1ghu s VAL 123 Ca 0.00 1.62 -0.18 0.00 -2.93 0.00 0.00 61.98 60.49 1ghu s VAL 123 Cb 0.00 -3.76 -0.09 0.00 -1.53 0.00 0.00 36.38 31.01 1ghu s VAL 123 CO 0.00 -0.14 0.97 -1.59 -3.33 0.00 0.00 175.10 171.01 1ghu s LYS 124 N -2.75 4.02 -0.10 1.54 -2.85 -1.26 -4.45 119.74 113.89 1ghu s LYS 124 Ca 0.58 1.00 -0.01 0.00 -1.00 0.00 0.00 55.97 56.53 1ghu s LYS 124 Cb -0.13 -2.15 0.03 0.00 -2.06 0.00 0.00 37.83 33.52 1ghu s LYS 124 CO 0.17 -0.21 -0.05 -0.06 0.10 0.00 0.00 175.35 175.30 1ghu s PHE 125 N -2.51 1.25 0.10 1.78 0.40 -0.76 -4.95 117.98 113.29 1ghu s PHE 125 Ca 0.60 -0.57 -0.25 0.00 -0.60 0.00 0.00 56.93 56.11 1ghu s PHE 125 Cb -0.10 -1.11 -0.12 0.00 0.51 0.00 0.00 43.02 42.20 1ghu s PHE 125 CO 0.26 -0.46 1.70 -0.91 0.70 0.00 0.00 175.22 176.52 1ghu h ASN 126 N 8.20 -0.26 -3.05 1.36 2.35 -1.87 -0.98 115.58 121.34 1ghu h ASN 126 Ca -0.27 0.03 -0.60 0.00 -0.55 0.00 0.00 56.30 54.91 1ghu h ASN 126 Cb 1.13 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1ghu h ASN 126 CO 0.37 -0.15 -0.38 -0.44 -1.65 0.00 0.00 177.43 175.18 1ghu s SER 127 N -5.01 6.46 0.24 5.81 0.01 -1.26 -4.63 113.70 115.31 1ghu s SER 127 Ca -0.14 0.49 -0.04 0.00 1.31 0.00 0.00 55.95 57.57 1ghu s SER 127 Cb 0.07 -2.05 0.26 0.00 0.21 0.00 0.00 66.02 64.50 1ghu s SER 127 CO 0.66 0.12 1.72 0.25 0.41 0.00 0.00 173.24 176.40 1ghu h LEU 128 N 3.11 0.83 -1.23 2.44 5.85 -1.92 -2.83 115.31 121.57 1ghu h LEU 128 Ca -0.46 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 57.97 1ghu h LEU 128 Cb 1.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ghu h LEU 128 CO 0.72 0.91 -0.17 -1.13 -0.34 0.00 0.00 178.44 178.43 1ghu h ASN 129 N 0.80 0.31 -0.66 1.25 -0.73 -1.99 -2.84 115.58 111.73 1ghu h ASN 129 Ca 0.15 -0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 1ghu h ASN 129 Cb 0.50 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 1ghu h ASN 129 CO 0.02 0.51 0.26 -0.33 -0.37 0.00 0.00 177.43 177.53 1ghu h GLU 130 N 0.30 0.98 -0.68 6.67 4.39 -1.93 -1.56 114.58 122.75 1ghu h GLU 130 Ca 0.06 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1ghu h GLU 130 Cb 0.48 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1ghu h GLU 130 CO 0.03 0.82 0.43 1.25 -1.16 0.00 0.00 179.01 180.38 1ghu h LEU 131 N 0.93 0.70 0.52 1.33 5.85 -1.47 -2.63 115.31 120.54 1ghu h LEU 131 Ca 0.22 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1ghu h LEU 131 Cb 0.20 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ghu h LEU 131 CO -0.02 0.49 -0.29 0.58 -0.34 0.00 0.00 178.44 178.86 1ghu h VAL 132 N 0.84 0.00 -0.12 1.05 2.07 -1.45 -3.08 116.25 115.56 1ghu h VAL 132 Ca 0.27 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.80 1ghu h VAL 132 Cb 0.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1ghu h VAL 132 CO -0.11 0.00 0.08 0.44 0.02 0.00 0.00 177.57 178.01 1ghu h ASP 133 N -0.76 0.10 0.34 0.57 3.32 -1.34 -2.10 116.42 116.56 1ghu h ASP 133 Ca -0.07 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1ghu h ASP 133 Cb 0.60 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1ghu h ASP 133 CO 0.09 0.07 -0.16 0.22 -1.72 0.00 0.00 179.24 177.74 1ghu h TYR 134 N 0.12 -0.42 0.00 4.55 3.20 -1.58 -3.29 116.97 119.55 1ghu h TYR 134 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ghu h TYR 134 Cb 0.05 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1ghu h TYR 134 CO -0.00 -0.16 0.00 0.72 -1.64 0.00 0.00 178.16 177.08 1ghu n HIS 135 N -5.21 0.00 -0.33 -3.82 8.25 -0.94 -2.57 115.22 110.60 1ghu n HIS 135 Ca -0.10 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.51 1ghu n HIS 135 Cb 0.25 -0.47 0.37 0.00 1.12 0.00 0.00 29.99 31.26 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 0.66 0.00 -0.41 -0.00 -1.47 -2.95 114.38 110.22 1ghu h ARG 136 Ca 0.00 -0.04 -0.32 0.00 -0.50 0.00 0.00 59.98 59.12 1ghu h ARG 136 Cb 0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 29.97 29.99 1ghu h ARG 136 CO 0.00 0.44 -2.22 0.43 0.00 0.00 0.00 179.97 178.62 1ghu n SER 137 N -4.71 1.35 -4.88 7.04 7.64 -1.21 -4.01 113.62 114.83 1ghu n SER 137 Ca 0.23 -0.05 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 1ghu n SER 137 Cb 0.61 0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 64.19 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 -2.43 4.92 0.20 0.44 2.01 -1.06 -4.96 115.64 114.76 1ghu s THR 138 Ca -0.17 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1ghu s THR 138 Cb 0.06 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 1ghu s THR 138 CO 0.63 -0.24 1.11 -0.55 -0.69 0.00 0.00 174.62 174.88 1ghu s SER 139 N -2.77 7.24 -0.04 3.53 0.15 -1.26 -4.48 113.70 116.07 1ghu s SER 139 Ca 0.47 2.15 -0.26 0.00 0.70 0.00 0.00 55.95 59.02 1ghu s SER 139 Cb -0.11 -2.61 -0.20 0.00 -1.71 0.00 0.00 66.02 61.39 1ghu s SER 139 CO 0.26 -0.23 1.12 0.58 1.20 0.00 0.00 173.24 176.17 1ghu h VAL 140 N 3.60 1.34 -3.29 4.45 2.07 -1.79 -3.47 116.25 119.15 1ghu h VAL 140 Ca -0.45 -1.31 -0.51 0.00 0.82 0.00 0.00 66.70 65.25 1ghu h VAL 140 Cb 1.21 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1ghu h VAL 140 CO 0.72 0.33 -0.10 -0.44 0.02 0.00 0.00 177.57 178.10 1ghu s SER 141 N -5.72 6.46 -0.04 0.57 0.01 -1.25 -4.77 113.70 108.96 1ghu s SER 141 Ca -0.16 0.79 -0.22 0.00 1.31 0.00 0.00 55.95 57.67 1ghu s SER 141 Cb 0.01 -2.18 -0.16 0.00 0.21 0.00 0.00 66.02 63.90 1ghu s SER 141 CO 0.64 -0.23 0.95 0.03 0.41 0.00 0.00 173.24 175.04 1ghu h ARG 142 N 1.63 -0.22 0.36 12.44 -0.00 -2.02 -3.39 114.38 123.18 1ghu h ARG 142 Ca -0.48 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.00 1ghu h ARG 142 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1ghu h ARG 142 CO 0.66 0.21 -0.17 -0.97 0.00 0.00 0.00 179.97 179.70 1ghu h ASN 143 N -0.82 -0.41 -4.08 7.04 -1.24 -2.02 -3.47 115.58 110.58 1ghu h ASN 143 Ca -0.02 -0.01 -0.44 0.00 0.71 0.00 0.00 56.30 56.53 1ghu h ASN 143 Cb 0.53 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1ghu h ASN 143 CO 0.04 0.04 0.35 -1.10 -1.29 0.00 0.00 177.43 175.46 1ghu s GLN 144 N -3.21 4.18 -0.61 6.67 -0.21 -1.26 -5.04 119.66 120.17 1ghu s GLN 144 Ca -0.08 1.10 -0.14 0.00 0.02 0.00 0.00 55.36 56.26 1ghu s GLN 144 Cb 0.01 -2.17 0.15 0.00 1.00 0.00 0.00 33.01 32.00 1ghu s GLN 144 CO 0.24 -0.07 0.55 -1.14 -2.12 0.00 0.00 175.29 172.75 1ghu s GLN 145 N -3.30 3.07 -0.33 2.91 0.74 -1.26 -3.94 119.66 117.53 1ghu s GLN 145 Ca 0.62 -1.95 -0.07 0.00 0.05 0.00 0.00 55.36 54.01 1ghu s GLN 145 Cb -0.09 -4.26 0.03 0.00 1.10 0.00 0.00 33.01 29.79 1ghu s GLN 145 CO 0.16 -1.29 0.11 0.42 -0.55 0.00 0.00 175.29 174.13 1ghu s ILE 146 N 1.11 3.85 -0.10 -2.34 1.09 -1.26 -5.01 121.20 118.55 1ghu s ILE 146 Ca 0.08 -1.05 -0.02 0.00 -1.10 0.00 0.00 60.65 58.56 1ghu s ILE 146 Cb -0.24 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1ghu s ILE 146 CO -0.01 -0.14 -0.02 -0.36 -0.10 0.00 0.00 174.94 174.30 1ghu s PHE 147 N 1.42 3.07 -0.08 3.97 0.08 -1.26 -2.62 117.98 122.57 1ghu s PHE 147 Ca -0.01 0.03 -0.24 0.00 0.12 0.00 0.00 56.93 56.83 1ghu s PHE 147 Cb -0.19 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 1ghu s PHE 147 CO 0.03 0.31 0.75 -0.51 -0.10 0.00 0.00 175.22 175.70 1ghu s LEU 148 N -0.54 4.30 0.36 -0.37 1.02 -1.12 -4.17 118.68 118.17 1ghu s LEU 148 Ca 0.09 1.24 0.03 0.00 0.02 0.00 0.00 54.13 55.51 1ghu s LEU 148 Cb -0.12 -3.16 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 1ghu s LEU 148 CO 0.02 -0.18 0.09 -0.13 0.02 0.00 0.00 176.35 176.17 1ghu s ARG 149 N 1.05 1.78 0.50 1.70 3.00 -0.70 -4.58 118.95 121.70 1ghu s ARG 149 Ca 0.39 -2.04 -0.09 0.00 0.00 0.00 0.00 55.73 53.99 1ghu s ARG 149 Cb -0.18 -0.74 -0.05 0.00 0.00 0.00 0.00 34.95 33.98 1ghu s ARG 149 CO 0.18 -0.33 0.86 0.16 0.00 0.00 0.00 175.30 176.18 1ghu s ASP 150 N -3.54 6.36 0.55 0.23 1.47 -1.26 -3.10 116.67 117.38 1ghu s ASP 150 Ca 0.30 1.17 -0.17 0.00 1.18 0.00 0.00 52.55 55.03 1ghu s ASP 150 Cb 0.06 -2.35 -0.06 0.00 -0.34 0.00 0.00 42.92 40.23 1ghu s ASP 150 CO 0.14 -0.60 1.04 0.27 0.68 0.00 0.00 175.17 176.70 1ghu s ILE 151 N -2.73 3.91 -2.31 2.11 -4.36 -1.26 -4.49 121.20 112.06 1ghu s ILE 151 Ca 0.51 1.00 0.29 0.00 -0.26 0.00 0.00 60.65 62.20 1ghu s ILE 151 Cb -0.10 -3.45 0.68 0.00 1.25 0.00 0.00 42.46 40.84 1ghu s ILE 151 CO 0.42 -0.44 1.93 1.21 0.24 0.00 0.00 174.94 178.29