#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 6.80 -0.12 1.61 1.04 -1.26 -4.85 113.70 116.93 1ghu s SER 59 Ca 0.00 0.91 -0.24 0.00 0.48 0.00 0.00 55.95 57.10 1ghu s SER 59 Cb 0.00 -2.45 -0.21 0.00 0.10 0.00 0.00 66.02 63.45 1ghu s SER 59 CO 0.00 -0.65 0.70 4.11 0.98 0.00 0.00 173.24 178.38 1ghu h TRP 60 N 7.93 -0.01 -3.67 5.02 5.08 -1.98 -3.46 115.95 124.84 1ghu h TRP 60 Ca -0.23 -0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.24 1ghu h TRP 60 Cb 1.08 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.22 1ghu h TRP 60 CO 0.78 0.77 0.27 0.12 -1.28 0.00 0.00 178.44 179.10 1ghu s PHE 61 N -2.34 3.90 0.00 0.12 5.36 -1.26 -2.82 117.98 120.94 1ghu s PHE 61 Ca -0.16 1.77 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 1ghu s PHE 61 Cb -0.02 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1ghu s PHE 61 CO 0.57 0.44 0.00 1.19 -1.46 0.00 0.00 175.22 175.97 1ghu n PHE 62 N 1.37 0.00 0.00 10.12 3.01 -1.19 -4.99 117.46 125.77 1ghu n PHE 62 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1ghu n PHE 62 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 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 4.40 1.61 2.46 1.37 0.00 -1.26 -5.05 105.19 108.71 1ghu n GLY 63 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -1.08 -4.22 1.61 3.00 -1.26 -4.87 118.16 111.34 1ghu n LYS 64 Ca 0.00 1.28 -0.20 0.00 -0.00 0.00 0.00 58.31 59.39 1ghu n LYS 64 Cb 0.00 -4.23 -0.12 0.00 0.00 0.00 0.00 35.03 30.68 1ghu n LYS 64 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1ghu s ILE 65 N -2.67 1.34 0.95 3.15 -4.36 -1.24 -4.92 121.20 113.44 1ghu s ILE 65 Ca 0.05 -1.47 -0.14 0.00 -0.26 0.00 0.00 60.65 58.84 1ghu s ILE 65 Cb -0.02 -1.31 0.16 0.00 1.25 0.00 0.00 42.46 42.54 1ghu s ILE 65 CO 0.49 -0.22 1.17 -2.16 0.24 0.00 0.00 174.94 174.45 1ghu s PRO 66 N -2.00 0.81 0.15 0.37 0.04 -1.26 -4.61 135.00 128.50 1ghu s PRO 66 Ca 0.03 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.08 1ghu s PRO 66 Cb -0.09 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ghu s PRO 66 CO 0.03 -2.39 1.58 -0.09 0.04 0.00 0.00 177.00 176.17 1ghu h ARG 67 N -1.63 0.92 -0.42 4.56 2.43 -2.00 -2.82 114.38 115.42 1ghu h ARG 67 Ca -0.49 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 58.27 1ghu h ARG 67 Cb 1.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1ghu h ARG 67 CO 0.55 0.99 -0.06 0.00 -1.51 0.00 0.00 179.97 179.94 1ghu h ALA 68 N 0.90 0.57 -0.42 2.80 0.00 -1.99 -2.08 119.26 119.03 1ghu h ALA 68 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ghu h ALA 68 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ghu h ALA 68 CO 0.04 0.40 -0.02 0.87 0.00 0.00 0.00 179.25 180.55 1ghu h LYS 69 N 0.60 0.69 -0.36 0.00 1.57 -1.97 -2.16 116.57 114.93 1ghu h LYS 69 Ca 0.11 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ghu h LYS 69 Cb 0.57 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1ghu h LYS 69 CO 0.03 0.71 0.12 0.00 -0.57 0.00 0.00 179.45 179.75 1ghu h ALA 70 N 1.34 0.48 -0.73 3.86 0.00 -1.49 -2.87 119.26 119.85 1ghu h ALA 70 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ghu h ALA 70 Cb 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ghu h ALA 70 CO 0.02 0.11 0.33 0.93 0.00 0.00 0.00 179.25 180.63 1ghu h GLU 71 N 0.44 1.05 0.04 0.00 5.08 -1.40 -2.82 114.58 116.97 1ghu h GLU 71 Ca 0.12 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ghu h GLU 71 Cb 0.24 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ghu h GLU 71 CO -0.01 0.82 -0.02 1.49 -1.00 0.00 0.00 179.01 180.30 1ghu h GLU 72 N 1.04 -0.05 -0.43 2.33 4.81 -1.41 -1.94 114.58 118.93 1ghu h GLU 72 Ca 0.25 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1ghu h GLU 72 Cb 0.14 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1ghu h GLU 72 CO -0.03 0.03 0.21 1.98 -0.73 0.00 0.00 179.01 180.47 1ghu h MET 73 N -0.12 0.40 0.00 1.92 4.05 -1.56 -3.17 114.93 116.45 1ghu h MET 73 Ca -0.01 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1ghu h MET 73 Cb 0.11 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1ghu h MET 73 CO 0.01 0.27 -0.26 -0.07 0.23 0.00 0.00 176.91 177.09 1ghu h LEU 74 N 0.42 0.00 -1.46 3.39 4.07 -1.53 -3.18 115.31 117.01 1ghu h LEU 74 Ca 0.19 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1ghu h LEU 74 Cb 0.11 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1ghu h LEU 74 CO -0.14 0.26 0.44 0.28 -1.08 0.00 0.00 178.44 178.20 1ghu h SER 75 N 0.00 0.57 -0.83 -0.43 0.02 -1.31 -2.57 113.55 109.00 1ghu h SER 75 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ghu h SER 75 Cb 0.73 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1ghu h SER 75 CO 0.03 0.36 0.52 0.11 -1.14 0.00 0.00 176.83 176.72 1ghu h LYS 76 N 0.64 1.12 -6.31 3.45 1.57 -1.65 -3.44 116.57 111.95 1ghu h LYS 76 Ca 0.30 -0.08 -0.55 0.00 -1.87 0.00 0.00 60.65 58.44 1ghu h LYS 76 Cb 0.33 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ghu h LYS 76 CO -0.09 0.76 0.98 -0.65 -0.57 0.00 0.00 179.45 179.88 1ghu s GLN 77 N -5.89 4.22 0.37 3.15 1.11 -0.97 -4.96 119.66 116.69 1ghu s GLN 77 Ca -0.12 2.10 0.25 0.00 0.01 0.00 0.00 55.36 57.60 1ghu s GLN 77 Cb 0.18 -3.78 0.64 0.00 -1.01 0.00 0.00 33.01 29.04 1ghu s GLN 77 CO 0.80 -0.74 1.71 0.07 0.01 0.00 0.00 175.29 177.14 1ghu h ARG 78 N 8.72 0.00 -6.43 2.91 0.11 -1.85 -3.49 114.38 114.34 1ghu h ARG 78 Ca -0.38 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.16 1ghu h ARG 78 Cb 1.17 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.22 1ghu h ARG 78 CO 0.94 0.00 -0.06 -1.01 0.10 0.00 0.00 179.97 179.94 1ghu s HIS 79 N -3.24 3.51 -0.28 4.08 3.76 -1.26 -4.87 115.29 116.99 1ghu s HIS 79 Ca 0.07 1.04 -0.27 0.00 -0.15 0.00 0.00 55.06 55.74 1ghu s HIS 79 Cb 0.08 -2.37 0.01 0.00 1.11 0.00 0.00 32.58 31.41 1ghu s HIS 79 CO 0.62 0.32 0.99 0.34 -0.85 0.00 0.00 174.74 176.15 1ghu s ASP 80 N -2.02 6.92 0.00 1.40 -1.08 -1.24 -3.43 116.67 117.22 1ghu s ASP 80 Ca 0.44 1.07 0.00 0.00 -0.52 0.00 0.00 52.55 53.53 1ghu s ASP 80 Cb -0.13 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1ghu s ASP 80 CO 0.20 -0.73 0.00 0.61 0.52 0.00 0.00 175.17 175.76 1ghu n GLY 81 N 3.77 1.34 3.57 2.66 0.00 -0.20 -4.69 105.19 111.64 1ghu n GLY 81 Ca 0.10 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.86 2.09 0.31 4.61 0.00 -1.18 -2.02 121.76 124.70 1ghu s ALA 82 Ca 0.00 0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.33 1ghu s ALA 82 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 1ghu s ALA 82 CO 0.00 -3.78 -0.14 -0.59 0.00 0.00 0.00 175.76 171.24 1ghu s PHE 83 N 10.49 2.30 -0.03 0.00 -0.71 -1.15 -1.66 117.98 127.22 1ghu s PHE 83 Ca 0.97 -0.44 0.01 0.00 -1.04 0.00 0.00 56.93 56.43 1ghu s PHE 83 Cb -0.23 -1.16 0.02 0.00 -1.21 0.00 0.00 43.02 40.44 1ghu s PHE 83 CO 0.29 0.62 -0.04 -0.48 -1.34 0.00 0.00 175.22 174.27 1ghu s LEU 84 N -3.54 1.46 -0.36 -1.99 0.05 -0.54 -4.45 118.68 109.31 1ghu s LEU 84 Ca 0.31 -0.10 -0.20 0.00 0.05 0.00 0.00 54.13 54.19 1ghu s LEU 84 Cb -0.01 -0.37 0.00 0.00 -2.05 0.00 0.00 46.19 43.76 1ghu s LEU 84 CO 0.15 -0.03 0.60 -0.63 -0.55 0.00 0.00 176.35 175.89 1ghu s ILE 85 N 0.68 4.92 0.17 1.48 1.01 -1.13 -1.71 121.20 126.63 1ghu s ILE 85 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.06 1ghu s ILE 85 Cb -0.12 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1ghu s ILE 85 CO -0.00 -0.31 0.29 0.00 0.00 0.00 0.00 174.94 174.92 1ghu s ARG 86 N 2.62 3.40 -0.11 2.79 1.70 -0.92 -3.20 118.95 125.23 1ghu s ARG 86 Ca 0.22 -0.66 -0.22 0.00 -0.47 0.00 0.00 55.73 54.60 1ghu s ARG 86 Cb -0.15 -2.92 -0.03 0.00 -0.57 0.00 0.00 34.95 31.28 1ghu s ARG 86 CO 0.15 0.50 0.67 -2.00 -1.08 0.00 0.00 175.30 173.53 1ghu s GLU 87 N -3.39 4.36 0.34 3.89 2.12 -1.26 -1.40 118.70 123.36 1ghu s GLU 87 Ca 0.34 0.78 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 1ghu s GLU 87 Cb -0.10 -3.48 -0.11 0.00 0.26 0.00 0.00 34.13 30.69 1ghu s GLU 87 CO 0.28 -0.02 1.54 0.45 -0.54 0.00 0.00 175.26 176.97 1ghu s SER 88 N 0.89 6.35 -0.14 -1.70 0.15 -0.32 -3.72 113.70 115.21 1ghu s SER 88 Ca 0.34 3.02 -0.29 0.00 0.70 0.00 0.00 55.95 59.71 1ghu s SER 88 Cb -0.17 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.46 1ghu s SER 88 CO 0.15 -0.90 1.37 -1.83 1.20 0.00 0.00 173.24 173.23 1ghu s GLU 89 N -1.39 4.21 0.00 5.44 1.03 -1.26 -2.22 118.70 124.51 1ghu s GLU 89 Ca 0.58 1.79 0.00 0.00 0.03 0.00 0.00 54.97 57.37 1ghu s GLU 89 Cb -0.47 -3.83 0.00 0.00 -0.80 0.00 0.00 34.13 29.03 1ghu s GLU 89 CO 0.57 -0.76 0.00 0.45 -1.33 0.00 0.00 175.26 174.19 1ghu n SER 90 N 6.78 0.00 -4.17 0.83 2.88 -1.26 -5.01 113.62 113.67 1ghu n SER 90 Ca 0.15 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.29 1ghu n SER 90 Cb 0.44 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.33 3.63 0.14 -1.46 0.00 -0.94 -5.09 121.76 116.70 1ghu s ALA 91 Ca 0.00 -3.09 -0.30 0.00 0.00 0.00 0.00 51.96 48.57 1ghu s ALA 91 Cb 0.00 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 1ghu s ALA 91 CO 0.00 -2.08 1.19 -1.25 0.00 0.00 0.00 175.76 173.62 1ghu s PRO 92 N 0.35 4.48 0.00 0.00 0.04 -1.26 -2.98 135.00 135.63 1ghu s PRO 92 Ca 0.14 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1ghu s PRO 92 Cb -0.19 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1ghu s PRO 92 CO -0.04 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1ghu n GLY 93 N 2.59 2.97 3.72 0.56 0.00 -1.26 -5.06 105.19 108.71 1ghu n GLY 93 Ca 0.06 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 0.54 7.40 0.33 1.61 2.15 -1.16 -4.74 116.67 122.81 1ghu s ASP 94 Ca 0.00 1.74 0.09 0.00 0.43 0.00 0.00 52.55 54.81 1ghu s ASP 94 Cb 0.00 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1ghu s ASP 94 CO 0.00 -0.20 -0.02 -0.36 -0.17 0.00 0.00 175.17 174.42 1ghu s PHE 95 N 0.61 2.52 -0.14 -5.34 0.08 -1.07 -1.18 117.98 113.46 1ghu s PHE 95 Ca 0.50 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 57.10 1ghu s PHE 95 Cb -0.22 -1.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1ghu s PHE 95 CO 0.29 0.52 0.17 -1.12 -0.10 0.00 0.00 175.22 174.98 1ghu s SER 96 N -3.68 1.18 -0.59 1.36 0.01 -0.49 -1.73 113.70 109.76 1ghu s SER 96 Ca 0.34 0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.36 1ghu s SER 96 Cb -0.01 0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.51 1ghu s SER 96 CO 0.19 -0.29 1.06 -0.22 0.41 0.00 0.00 173.24 174.39 1ghu s LEU 97 N 2.28 3.82 -0.46 2.44 2.96 -0.25 -2.16 118.68 127.33 1ghu s LEU 97 Ca 0.04 -0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 53.50 1ghu s LEU 97 Cb -0.14 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.70 1ghu s LEU 97 CO -0.08 -1.38 0.59 -0.44 -1.32 0.00 0.00 176.35 173.72 1ghu s SER 98 N 3.03 6.26 -0.16 3.68 0.01 -0.69 -1.63 113.70 124.20 1ghu s SER 98 Ca 0.34 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1ghu s SER 98 Cb -0.11 -2.29 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ghu s SER 98 CO 0.20 -0.77 -0.15 -0.69 0.41 0.00 0.00 173.24 172.24 1ghu s VAL 99 N 2.62 2.66 -0.23 3.43 1.01 -0.66 -1.46 120.40 127.76 1ghu s VAL 99 Ca 0.18 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1ghu s VAL 99 Cb -0.16 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1ghu s VAL 99 CO 0.16 0.51 0.86 -0.75 0.00 0.00 0.00 175.10 175.88 1ghu s LYS 100 N 0.91 4.22 0.00 2.72 2.47 -0.66 -1.62 119.74 127.77 1ghu s LYS 100 Ca -0.03 1.02 0.00 0.00 -1.56 0.00 0.00 55.97 55.40 1ghu s LYS 100 Cb -0.15 -3.63 0.00 0.00 -1.46 0.00 0.00 37.83 32.59 1ghu s LYS 100 CO -0.02 -0.50 0.00 1.19 0.16 0.00 0.00 175.35 176.18 1ghu n PHE 101 N 5.92 0.00 0.00 4.03 3.01 -0.47 -1.03 117.46 128.92 1ghu n PHE 101 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1ghu n PHE 101 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1ghu n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ghu n GLY 102 N 5.00 -2.56 2.25 1.37 0.00 -1.26 -3.65 105.19 106.34 1ghu n GLY 102 Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.94 0.90 -3.61 1.61 5.15 -1.26 -4.84 115.26 111.27 1ghu n ASN 103 Ca 0.00 -2.97 -0.15 0.00 -0.60 0.00 0.00 54.58 50.86 1ghu n ASN 103 Cb 0.00 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.58 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ghu s ASP 104 N -2.52 -0.74 -0.36 1.20 1.01 -1.26 -5.15 116.67 108.86 1ghu s ASP 104 Ca 0.38 1.33 -0.08 0.00 0.71 0.00 0.00 52.55 54.89 1ghu s ASP 104 Cb 0.36 1.32 0.04 0.00 1.01 0.00 0.00 42.92 45.65 1ghu s ASP 104 CO -0.06 -0.31 0.15 -0.69 0.21 0.00 0.00 175.17 174.47 1ghu s VAL 105 N 0.13 4.12 -0.22 -1.27 1.01 -1.26 -1.37 120.40 121.55 1ghu s VAL 105 Ca -0.02 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 1ghu s VAL 105 Cb -0.04 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1ghu s VAL 105 CO 0.02 -0.22 0.11 -1.10 0.00 0.00 0.00 175.10 173.92 1ghu s GLN 106 N 1.46 4.01 -0.61 2.72 1.11 -0.64 -4.90 119.66 122.82 1ghu s GLN 106 Ca -0.00 -0.31 -0.14 0.00 0.01 0.00 0.00 55.36 54.92 1ghu s GLN 106 Cb -0.19 -3.40 0.15 0.00 -1.01 0.00 0.00 33.01 28.56 1ghu s GLN 106 CO 0.04 0.14 0.54 -1.01 0.01 0.00 0.00 175.29 175.01 1ghu s HIS 107 N 0.80 3.42 -0.09 0.91 3.76 -1.26 -1.66 115.29 121.18 1ghu s HIS 107 Ca 0.06 -1.64 -0.24 0.00 -0.15 0.00 0.00 55.06 53.09 1ghu s HIS 107 Cb -0.13 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.80 1ghu s HIS 107 CO 0.02 -1.00 0.71 -0.06 -0.85 0.00 0.00 174.74 173.57 1ghu s PHE 108 N 1.11 3.55 -0.28 1.40 0.40 -0.65 -4.95 117.98 118.57 1ghu s PHE 108 Ca 0.08 1.23 -0.19 0.00 -0.60 0.00 0.00 56.93 57.45 1ghu s PHE 108 Cb -0.24 -2.83 -0.02 0.00 0.51 0.00 0.00 43.02 40.44 1ghu s PHE 108 CO -0.01 0.03 0.58 0.15 0.70 0.00 0.00 175.22 176.67 1ghu s LYS 109 N 1.03 4.00 -0.45 0.44 -0.14 -1.26 -1.09 119.74 122.27 1ghu s LYS 109 Ca 0.37 0.35 -0.25 0.00 -1.36 0.00 0.00 55.97 55.08 1ghu s LYS 109 Cb -0.18 -3.68 0.03 0.00 -1.68 0.00 0.00 37.83 32.32 1ghu s LYS 109 CO 0.17 -0.46 0.89 0.08 -0.76 0.00 0.00 175.35 175.27 1ghu s VAL 110 N 2.47 4.52 -0.14 3.17 1.01 -0.70 -4.72 120.40 126.00 1ghu s VAL 110 Ca 0.24 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 1ghu s VAL 110 Cb -0.15 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1ghu s VAL 110 CO 0.10 -0.79 0.05 -0.76 0.00 0.00 0.00 175.10 173.70 1ghu s LEU 111 N 3.63 3.81 -0.18 3.92 1.43 -1.00 -2.61 118.68 127.67 1ghu s LEU 111 Ca 0.35 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.50 1ghu s LEU 111 Cb -0.11 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1ghu s LEU 111 CO 0.25 0.27 0.15 -0.13 0.23 0.00 0.00 176.35 177.12 1ghu s ARG 112 N -0.21 4.09 -0.15 1.70 0.52 -1.26 -1.13 118.95 122.50 1ghu s ARG 112 Ca 0.07 -0.17 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 1ghu s ARG 112 Cb -0.12 -3.39 -0.13 0.00 0.52 0.00 0.00 34.95 31.83 1ghu s ARG 112 CO 0.01 0.36 0.21 0.38 0.02 0.00 0.00 175.30 176.28 1ghu h ASP 113 N 6.42 0.00 0.00 0.23 3.04 -1.97 -3.50 116.42 120.65 1ghu h ASP 113 Ca -0.43 -0.40 0.00 0.00 -3.24 0.00 0.00 57.03 52.96 1ghu h ASP 113 Cb 1.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 1ghu h ASP 113 CO 0.73 0.99 0.00 0.61 -2.04 0.00 0.00 179.24 179.54 1ghu n GLY 114 N 1.59 1.25 5.85 7.15 0.00 -1.26 -5.07 105.19 114.69 1ghu n GLY 114 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.00 0.00 -2.84 4.61 0.00 -1.26 -4.05 120.51 116.97 1ghu n ALA 115 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1ghu n ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.08 3.02 0.00 0.00 -1.26 -5.15 105.19 101.72 1ghu n GLY 116 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.25 -0.29 1.61 -0.14 -1.26 -4.59 119.74 116.03 1ghu s LYS 117 Ca 0.31 -0.10 -0.04 0.00 -1.36 0.00 0.00 55.97 54.78 1ghu s LYS 117 Cb 0.05 0.11 0.10 0.00 -1.68 0.00 0.00 37.83 36.40 1ghu s LYS 117 CO -0.10 -0.05 0.12 0.71 -0.76 0.00 0.00 175.35 175.27 1ghu s TYR 118 N -0.55 0.51 -0.47 3.18 2.02 -0.64 -3.97 117.35 117.42 1ghu s TYR 118 Ca -0.06 -0.97 -0.16 0.00 -0.37 0.00 0.00 57.07 55.52 1ghu s TYR 118 Cb -0.04 -1.00 0.07 0.00 -0.40 0.00 0.00 41.96 40.59 1ghu s TYR 118 CO 0.00 -0.82 0.40 -0.59 -1.57 0.00 0.00 175.55 172.97 1ghu s PHE 119 N 2.04 3.24 -0.26 2.71 -0.71 -0.28 -1.57 117.98 123.14 1ghu s PHE 119 Ca 0.09 -0.90 -0.13 0.00 -1.04 0.00 0.00 56.93 54.95 1ghu s PHE 119 Cb -0.16 -3.15 -0.11 0.00 -1.21 0.00 0.00 43.02 38.39 1ghu s PHE 119 CO -0.34 -0.79 -0.33 -0.11 -1.34 0.00 0.00 175.22 172.31 1ghu n LEU 120 N 5.22 1.81 -3.80 -1.99 -0.00 -1.26 -2.38 117.00 114.59 1ghu n LEU 120 Ca -0.12 0.31 -0.30 0.00 -0.00 0.00 0.00 56.01 55.90 1ghu n LEU 120 Cb 0.44 -0.75 -0.15 0.00 -0.00 0.00 0.00 43.42 42.95 1ghu n LEU 120 CO 0.47 0.53 -0.34 0.86 -0.00 0.00 0.00 177.39 178.91 1ghu s TRP 121 N -2.47 2.08 0.00 1.96 -0.00 -1.26 -4.91 118.94 114.34 1ghu s TRP 121 Ca -0.36 -1.89 0.00 0.00 -0.00 0.00 0.00 56.10 53.85 1ghu s TRP 121 Cb 0.14 -1.86 0.00 0.00 -0.00 0.00 0.00 33.47 31.75 1ghu s TRP 121 CO 0.45 -0.86 0.00 1.55 -0.00 0.00 0.00 176.95 178.09 1ghu n VAL 122 N 4.74 0.00 -2.00 5.86 3.14 -1.26 -4.81 118.33 124.01 1ghu n VAL 122 Ca -0.02 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.04 1ghu n VAL 122 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 1ghu n VAL 122 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1ghu s VAL 123 N 0.00 4.61 0.48 1.55 -7.23 -1.26 -5.00 120.40 113.56 1ghu s VAL 123 Ca 0.00 0.96 -0.18 0.00 -1.81 0.00 0.00 61.98 60.94 1ghu s VAL 123 Cb 0.00 -3.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.05 1ghu s VAL 123 CO 0.00 -1.00 0.98 -1.59 -0.31 0.00 0.00 175.10 173.17 1ghu s LYS 124 N -4.86 4.03 -0.20 4.82 -2.85 -1.26 -4.39 119.74 115.03 1ghu s LYS 124 Ca 0.56 1.03 -0.03 0.00 -1.00 0.00 0.00 55.97 56.53 1ghu s LYS 124 Cb -0.11 -2.15 0.06 0.00 -2.06 0.00 0.00 37.83 33.57 1ghu s LYS 124 CO 0.48 -0.20 0.05 -0.06 0.10 0.00 0.00 175.35 175.72 1ghu s PHE 125 N -2.44 0.86 0.10 1.78 0.08 -0.61 -4.94 117.98 112.80 1ghu s PHE 125 Ca 0.60 -0.78 -0.27 0.00 0.12 0.00 0.00 56.93 56.61 1ghu s PHE 125 Cb -0.10 -0.98 -0.12 0.00 -0.57 0.00 0.00 43.02 41.25 1ghu s PHE 125 CO 0.24 -0.60 1.67 -0.97 -0.10 0.00 0.00 175.22 175.46 1ghu h ASN 126 N 8.28 -0.51 -3.01 1.36 -1.24 -1.84 -1.71 115.58 116.90 1ghu h ASN 126 Ca -0.16 0.05 -0.60 0.00 0.71 0.00 0.00 56.30 56.29 1ghu h ASN 126 Cb 1.12 0.17 -0.04 0.00 0.73 0.00 0.00 38.32 40.30 1ghu h ASN 126 CO 0.33 -0.29 -0.42 -0.44 -1.29 0.00 0.00 177.43 175.32 1ghu s SER 127 N -4.83 6.42 0.37 1.15 0.01 -1.26 -4.09 113.70 111.47 1ghu s SER 127 Ca -0.15 0.42 0.10 0.00 1.31 0.00 0.00 55.95 57.63 1ghu s SER 127 Cb 0.06 -2.02 0.73 0.00 0.21 0.00 0.00 66.02 65.00 1ghu s SER 127 CO 0.65 0.13 1.86 0.25 0.41 0.00 0.00 173.24 176.54 1ghu h LEU 128 N 3.05 0.14 -0.50 2.44 5.85 -1.97 -2.86 115.31 121.47 1ghu h LEU 128 Ca -0.46 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.07 1ghu h LEU 128 Cb 1.16 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1ghu h LEU 128 CO 0.74 0.40 -0.45 -1.13 -0.34 0.00 0.00 178.44 177.66 1ghu h ASN 129 N 0.13 0.79 -0.00 1.25 -0.73 -1.98 -3.22 115.58 111.82 1ghu h ASN 129 Ca 0.02 -0.38 -0.02 0.00 1.87 0.00 0.00 56.30 57.79 1ghu h ASN 129 Cb 0.53 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1ghu h ASN 129 CO 0.04 1.12 -0.05 1.05 -0.37 0.00 0.00 177.43 179.22 1ghu h GLU 130 N 0.59 0.14 -0.64 6.67 4.11 -1.95 -2.87 114.58 120.63 1ghu h GLU 130 Ca 0.04 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.49 1ghu h GLU 130 Cb 1.00 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1ghu h GLU 130 CO 0.10 0.20 0.37 1.25 0.07 0.00 0.00 179.01 181.00 1ghu h LEU 131 N 0.14 0.58 0.57 3.06 5.85 -1.51 -1.79 115.31 122.21 1ghu h LEU 131 Ca 0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ghu h LEU 131 Cb 0.18 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ghu h LEU 131 CO 0.01 0.40 -0.27 1.62 -0.34 0.00 0.00 178.44 179.85 1ghu h VAL 132 N 0.72 0.29 0.00 1.05 3.04 -1.57 -3.15 116.25 116.62 1ghu h VAL 132 Ca 0.27 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1ghu h VAL 132 Cb 0.10 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1ghu h VAL 132 CO -0.14 0.04 -0.01 -2.24 -1.01 0.00 0.00 177.57 174.21 1ghu h ASP 133 N -1.03 0.00 0.61 3.17 3.04 -1.58 -2.03 116.42 118.60 1ghu h ASP 133 Ca -0.08 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.68 1ghu h ASP 133 Cb 0.65 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.95 1ghu h ASP 133 CO 0.13 0.01 -0.29 0.22 -2.04 0.00 0.00 179.24 177.26 1ghu h TYR 134 N 0.00 -0.76 0.00 4.15 3.20 -1.41 -3.33 116.97 118.83 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 0.02 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.54 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 -4.95 0.00 0.25 -3.82 8.25 -1.17 -1.94 115.22 111.84 1ghu n HIS 135 Ca -0.10 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.46 1ghu n HIS 135 Cb 0.32 -0.48 0.69 0.00 1.12 0.00 0.00 29.99 31.65 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 0.00 0.00 -0.41 2.43 -1.47 -2.91 114.38 112.02 1ghu h ARG 136 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1ghu h ARG 136 Cb 0.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1ghu h ARG 136 CO 0.00 0.00 -1.68 0.43 -1.51 0.00 0.00 179.97 177.21 1ghu n SER 137 N -4.40 2.58 -4.91 -3.80 7.64 -1.15 -4.74 113.62 104.84 1ghu n SER 137 Ca -0.02 -0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.58 1ghu n SER 137 Cb 0.13 0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.24 4.98 0.04 0.44 2.01 -0.82 -5.08 115.64 114.96 1ghu s THR 138 Ca -0.06 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1ghu s THR 138 Cb 0.03 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1ghu s THR 138 CO 0.40 -0.55 1.13 -0.55 -0.69 0.00 0.00 174.62 174.36 1ghu s SER 139 N -3.62 7.16 -0.02 3.53 0.15 -1.26 -4.50 113.70 115.14 1ghu s SER 139 Ca 0.45 1.90 -0.25 0.00 0.70 0.00 0.00 55.95 58.75 1ghu s SER 139 Cb -0.10 -2.58 -0.19 0.00 -1.71 0.00 0.00 66.02 61.44 1ghu s SER 139 CO 0.36 -0.41 1.27 0.58 1.20 0.00 0.00 173.24 176.23 1ghu h VAL 140 N 4.62 1.27 -3.42 4.45 2.07 -1.64 -3.44 116.25 120.15 1ghu h VAL 140 Ca -0.41 -1.03 -0.54 0.00 0.82 0.00 0.00 66.70 65.54 1ghu h VAL 140 Cb 1.21 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1ghu h VAL 140 CO 0.80 0.26 -0.01 -0.55 0.02 0.00 0.00 177.57 178.08 1ghu s SER 141 N -5.60 6.90 -0.02 0.57 0.15 -1.26 -5.02 113.70 109.42 1ghu s SER 141 Ca -0.15 1.20 -0.26 0.00 0.70 0.00 0.00 55.95 57.44 1ghu s SER 141 Cb 0.02 -2.33 -0.20 0.00 -1.71 0.00 0.00 66.02 61.79 1ghu s SER 141 CO 0.65 0.06 1.24 0.03 1.20 0.00 0.00 173.24 176.42 1ghu h ARG 142 N 3.44 -0.03 0.20 5.44 3.08 -2.00 -3.37 114.38 121.14 1ghu h ARG 142 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1ghu h ARG 142 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1ghu h ARG 142 CO 0.66 0.46 -0.10 -0.91 -1.07 0.00 0.00 179.97 179.01 1ghu h ASN 143 N -0.52 -0.23 -3.77 7.04 4.21 -2.00 -3.47 115.58 116.84 1ghu h ASN 143 Ca -0.00 -0.27 -0.49 0.00 1.21 0.00 0.00 56.30 56.75 1ghu h ASN 143 Cb 0.50 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1ghu h ASN 143 CO 0.00 0.30 0.21 -1.10 -1.29 0.00 0.00 177.43 175.55 1ghu s GLN 144 N -3.36 4.28 -0.83 0.81 1.11 -1.26 -5.02 119.66 115.38 1ghu s GLN 144 Ca -0.11 0.98 -0.22 0.00 0.01 0.00 0.00 55.36 56.02 1ghu s GLN 144 Cb 0.00 -2.63 0.08 0.00 -1.01 0.00 0.00 33.01 29.45 1ghu s GLN 144 CO 0.42 0.24 1.15 -0.65 0.01 0.00 0.00 175.29 176.45 1ghu s GLN 145 N -2.44 3.37 -0.10 2.91 -0.21 -1.26 -4.14 119.66 117.79 1ghu s GLN 145 Ca 0.51 -1.12 0.01 0.00 0.02 0.00 0.00 55.36 54.78 1ghu s GLN 145 Cb -0.14 -4.67 -0.02 0.00 1.00 0.00 0.00 33.01 29.18 1ghu s GLN 145 CO 0.19 -1.92 -0.14 0.42 -2.12 0.00 0.00 175.29 171.72 1ghu s ILE 146 N 3.99 3.00 -0.15 1.08 -1.09 -1.26 -5.03 121.20 121.74 1ghu s ILE 146 Ca 0.32 -0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1ghu s ILE 146 Cb -0.09 -2.22 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1ghu s ILE 146 CO 0.00 0.55 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.81 1ghu s PHE 147 N 0.00 1.83 -0.11 3.97 0.40 -1.26 -1.80 117.98 121.02 1ghu s PHE 147 Ca -0.04 -1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 54.93 1ghu s PHE 147 Cb -0.14 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1ghu s PHE 147 CO 0.04 -0.61 0.98 -1.17 0.70 0.00 0.00 175.22 175.16 1ghu s LEU 148 N 1.60 4.25 0.08 -0.37 2.96 -1.10 -3.40 118.68 122.69 1ghu s LEU 148 Ca 0.03 1.50 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1ghu s LEU 148 Cb -0.14 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1ghu s LEU 148 CO -0.09 -0.43 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.34 1ghu s ARG 149 N 1.95 0.73 0.56 1.98 1.81 -0.86 -4.11 118.95 121.01 1ghu s ARG 149 Ca 0.47 -1.28 -0.17 0.00 -1.72 0.00 0.00 55.73 53.03 1ghu s ARG 149 Cb -0.18 0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.29 1ghu s ARG 149 CO 0.18 -0.07 1.06 0.34 -0.68 0.00 0.00 175.30 176.13 1ghu s ASP 150 N -2.98 5.92 0.82 0.23 2.15 -1.26 -2.95 116.67 118.58 1ghu s ASP 150 Ca 0.10 1.88 -0.11 0.00 0.43 0.00 0.00 52.55 54.86 1ghu s ASP 150 Cb 0.07 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 40.23 1ghu s ASP 150 CO -0.07 -1.08 1.11 0.27 -0.17 0.00 0.00 175.17 175.23 1ghu s ILE 151 N -2.26 2.88 -2.44 4.11 -5.25 -1.26 -4.64 121.20 112.35 1ghu s ILE 151 Ca 0.65 0.29 0.28 0.00 -0.99 0.00 0.00 60.65 60.89 1ghu s ILE 151 Cb -0.17 -2.63 0.59 0.00 2.95 0.00 0.00 42.46 43.21 1ghu s ILE 151 CO 0.31 -0.37 1.80 1.21 -1.79 0.00 0.00 174.94 176.11