#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 6.35 -0.02 1.61 1.04 -1.26 -4.54 113.70 116.88 1ghu s SER 59 Ca 0.00 -0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.11 1ghu s SER 59 Cb 0.00 -2.55 -0.21 0.00 0.10 0.00 0.00 66.02 63.36 1ghu s SER 59 CO 0.00 -1.59 1.14 4.11 0.98 0.00 0.00 173.24 177.88 1ghu h TRP 60 N 9.69 0.27 -3.46 5.02 5.08 -1.99 -3.45 115.95 127.12 1ghu h TRP 60 Ca -0.26 -0.12 -0.54 0.00 1.08 0.00 0.00 58.89 59.05 1ghu h TRP 60 Cb 1.05 -0.04 -0.03 0.00 -3.00 0.00 0.00 29.16 27.14 1ghu h TRP 60 CO 1.06 0.83 0.21 0.12 -1.28 0.00 0.00 178.44 179.38 1ghu s PHE 61 N -3.57 3.75 0.00 0.12 5.36 -1.26 -2.21 117.98 120.17 1ghu s PHE 61 Ca -0.15 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 1ghu s PHE 61 Cb 0.02 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1ghu s PHE 61 CO 0.74 0.25 0.00 1.19 -1.46 0.00 0.00 175.22 175.93 1ghu n PHE 62 N 2.85 0.00 0.00 10.12 3.01 -1.26 -5.01 117.46 127.17 1ghu n PHE 62 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1ghu n PHE 62 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 3.98 -0.75 3.26 1.37 0.00 -1.26 -5.03 105.19 106.76 1ghu n GLY 63 Ca 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 1ghu n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ghu n LYS 64 N 0.00 -2.04 -3.10 1.61 5.02 -1.26 -4.99 118.16 113.40 1ghu n LYS 64 Ca 0.00 0.92 -0.38 0.00 -2.02 0.00 0.00 58.31 56.83 1ghu n LYS 64 Cb 0.00 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.28 1ghu n LYS 64 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1ghu s ILE 65 N -3.34 4.53 0.63 -0.18 2.07 -1.26 -4.98 121.20 118.68 1ghu s ILE 65 Ca 0.40 1.44 -0.16 0.00 -1.41 0.00 0.00 60.65 60.91 1ghu s ILE 65 Cb -0.06 -3.99 -0.01 0.00 0.13 0.00 0.00 42.46 38.53 1ghu s ILE 65 CO 0.75 0.43 1.13 -2.16 -1.91 0.00 0.00 174.94 173.18 1ghu s PRO 66 N -1.40 2.91 0.21 3.50 0.04 -1.26 -4.80 135.00 134.20 1ghu s PRO 66 Ca 0.36 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1ghu s PRO 66 Cb -0.20 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 32.59 1ghu s PRO 66 CO 0.23 -1.18 1.84 -0.09 0.04 0.00 0.00 177.00 177.83 1ghu h ARG 67 N 0.35 0.79 -0.28 4.56 2.43 -1.99 -2.35 114.38 117.89 1ghu h ARG 67 Ca -0.48 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1ghu h ARG 67 Cb 1.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1ghu h ARG 67 CO 0.55 0.52 0.07 0.00 -1.51 0.00 0.00 179.97 179.60 1ghu h ALA 68 N 1.32 0.37 -0.68 2.80 0.00 -2.00 -2.29 119.26 118.79 1ghu h ALA 68 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ghu h ALA 68 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ghu h ALA 68 CO -0.13 0.02 0.45 -0.22 0.00 0.00 0.00 179.25 179.37 1ghu h LYS 69 N 0.29 0.88 -0.52 0.00 3.64 -1.95 -1.88 116.57 117.03 1ghu h LYS 69 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1ghu h LYS 69 Cb 0.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1ghu h LYS 69 CO 0.00 0.58 0.17 0.00 -2.27 0.00 0.00 179.45 177.93 1ghu h ALA 70 N 1.58 0.67 -0.31 5.00 0.00 -1.37 -2.29 119.26 122.54 1ghu h ALA 70 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ghu h ALA 70 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ghu h ALA 70 CO -0.06 0.32 0.11 0.93 0.00 0.00 0.00 179.25 180.55 1ghu h GLU 71 N 0.70 0.47 -0.30 0.00 5.08 -1.28 -2.78 114.58 116.47 1ghu h GLU 71 Ca 0.17 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1ghu h GLU 71 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ghu h GLU 71 CO -0.01 0.50 -0.50 0.93 -1.00 0.00 0.00 179.01 178.94 1ghu h GLU 72 N 0.34 0.84 -0.33 2.33 3.07 -1.41 -2.04 114.58 117.38 1ghu h GLU 72 Ca 0.10 -0.50 -0.04 0.00 -0.50 0.00 0.00 59.36 58.42 1ghu h GLU 72 Cb 0.22 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1ghu h GLU 72 CO -0.01 1.14 0.06 0.52 -1.40 0.00 0.00 179.01 179.32 1ghu h MET 73 N 0.66 0.54 -0.15 2.33 2.86 -1.52 -3.20 114.93 116.46 1ghu h MET 73 Ca 0.03 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1ghu h MET 73 Cb 1.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1ghu h MET 73 CO 0.11 0.62 -0.16 -0.07 1.06 0.00 0.00 176.91 178.47 1ghu h LEU 74 N 0.38 0.23 -2.02 1.22 3.38 -1.57 -3.09 115.31 113.83 1ghu h LEU 74 Ca 0.10 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1ghu h LEU 74 Cb 0.33 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ghu h LEU 74 CO 0.00 0.41 0.18 -1.28 0.09 0.00 0.00 178.44 177.85 1ghu h SER 75 N 0.23 0.00 -0.30 -0.43 0.87 -1.36 -2.70 113.55 109.86 1ghu h SER 75 Ca 0.04 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1ghu h SER 75 Cb 0.43 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1ghu h SER 75 CO 0.03 0.00 0.05 0.11 -0.53 0.00 0.00 176.83 176.49 1ghu h LYS 76 N 0.00 0.59 -6.57 2.24 1.79 -1.56 -3.45 116.57 109.61 1ghu h LYS 76 Ca 0.12 -0.12 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1ghu h LYS 76 Cb 0.47 -0.09 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1ghu h LYS 76 CO -0.00 0.58 0.67 -0.65 -1.08 0.00 0.00 179.45 178.97 1ghu s GLN 77 N -5.07 4.36 0.13 3.15 1.11 -1.02 -4.97 119.66 117.35 1ghu s GLN 77 Ca -0.08 2.00 0.18 0.00 0.01 0.00 0.00 55.36 57.48 1ghu s GLN 77 Cb 0.16 -3.25 0.78 0.00 -1.01 0.00 0.00 33.01 29.69 1ghu s GLN 77 CO 0.77 -0.34 1.57 2.89 0.01 0.00 0.00 175.29 180.18 1ghu n ARG 78 N 3.58 0.10 -3.26 2.91 0.00 -1.26 -4.92 116.66 113.80 1ghu n ARG 78 Ca 0.09 0.35 -0.39 0.00 -0.00 0.00 0.00 57.85 57.91 1ghu n ARG 78 Cb 0.43 -1.69 -0.06 0.00 -0.00 0.00 0.00 32.46 31.14 1ghu n ARG 78 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ghu s HIS 79 N -3.17 3.76 -0.77 2.89 3.76 -1.26 -5.02 115.29 115.47 1ghu s HIS 79 Ca 0.05 1.23 -0.26 0.00 -0.15 0.00 0.00 55.06 55.94 1ghu s HIS 79 Cb 0.09 -2.53 0.04 0.00 1.11 0.00 0.00 32.58 31.29 1ghu s HIS 79 CO 0.31 0.50 1.25 0.34 -0.85 0.00 0.00 174.74 176.29 1ghu s ASP 80 N -0.75 6.22 0.00 1.40 2.15 -1.26 -2.83 116.67 121.60 1ghu s ASP 80 Ca 0.29 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.56 1ghu s ASP 80 Cb -0.19 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1ghu s ASP 80 CO 0.18 -1.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.08 1ghu n GLY 81 N 5.59 0.51 3.64 2.66 0.00 -0.65 -4.59 105.19 112.35 1ghu n GLY 81 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.51 3.31 0.11 4.61 0.00 -1.13 -1.48 121.76 125.68 1ghu s ALA 82 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1ghu s ALA 82 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1ghu s ALA 82 CO 0.00 -1.92 -0.11 -0.59 0.00 0.00 0.00 175.76 173.14 1ghu s PHE 83 N 5.41 1.20 -0.05 0.00 -0.71 -1.18 -1.19 117.98 121.46 1ghu s PHE 83 Ca 0.82 -0.63 -0.04 0.00 -1.04 0.00 0.00 56.93 56.04 1ghu s PHE 83 Cb -0.33 -0.64 0.02 0.00 -1.21 0.00 0.00 43.02 40.86 1ghu s PHE 83 CO 0.34 0.06 0.12 -0.48 -1.34 0.00 0.00 175.22 173.92 1ghu s LEU 84 N -2.52 1.39 -0.24 -1.99 0.05 -0.59 -4.56 118.68 110.22 1ghu s LEU 84 Ca 0.08 0.25 -0.26 0.00 0.05 0.00 0.00 54.13 54.25 1ghu s LEU 84 Cb -0.03 0.40 -0.00 0.00 -2.05 0.00 0.00 46.19 44.51 1ghu s LEU 84 CO 0.01 -0.06 0.89 -0.63 -0.55 0.00 0.00 176.35 176.01 1ghu s ILE 85 N 0.27 4.79 -0.21 1.48 1.09 -0.94 -1.99 121.20 125.70 1ghu s ILE 85 Ca -0.02 1.70 -0.15 0.00 -1.10 0.00 0.00 60.65 61.08 1ghu s ILE 85 Cb -0.03 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.16 1ghu s ILE 85 CO -0.01 -0.10 0.36 -0.60 -0.10 0.00 0.00 174.94 174.49 1ghu s ARG 86 N 2.92 4.15 0.05 2.79 3.52 -0.58 -4.02 118.95 127.79 1ghu s ARG 86 Ca 0.37 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1ghu s ARG 86 Cb -0.15 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1ghu s ARG 86 CO 0.07 -0.03 0.97 -2.00 -0.81 0.00 0.00 175.30 173.50 1ghu s GLU 87 N 1.31 4.63 0.28 5.12 2.12 -1.26 -0.97 118.70 129.93 1ghu s GLU 87 Ca 0.17 1.44 -0.29 0.00 0.36 0.00 0.00 54.97 56.65 1ghu s GLU 87 Cb -0.15 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.73 1ghu s GLU 87 CO 0.07 0.08 1.25 -1.12 -0.54 0.00 0.00 175.26 175.00 1ghu s SER 88 N 0.52 6.94 0.01 -1.70 0.01 -0.69 -4.33 113.70 114.46 1ghu s SER 88 Ca 0.50 2.50 -0.26 0.00 1.31 0.00 0.00 55.95 59.99 1ghu s SER 88 Cb -0.22 -2.63 -0.15 0.00 0.21 0.00 0.00 66.02 63.23 1ghu s SER 88 CO 0.29 -0.43 1.10 -0.08 0.41 0.00 0.00 173.24 174.53 1ghu h GLU 89 N 4.03 -0.86 -0.38 12.44 4.22 -1.94 -3.25 114.58 128.83 1ghu h GLU 89 Ca -0.47 0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.00 1ghu h GLU 89 Cb 1.22 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1ghu h GLU 89 CO 0.69 -0.56 0.12 0.66 -2.18 0.00 0.00 179.01 177.74 1ghu h SER 90 N -1.20 0.49 -3.82 1.04 4.64 -1.99 -3.39 113.55 109.32 1ghu h SER 90 Ca -0.09 -0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.52 1ghu h SER 90 Cb 0.70 -0.13 -0.40 0.00 -0.31 0.00 0.00 62.40 62.26 1ghu h SER 90 CO 0.15 0.48 -0.70 0.00 -0.87 0.00 0.00 176.83 175.89 1ghu s ALA 91 N -5.20 2.89 0.50 5.18 0.00 -1.24 -5.02 121.76 118.87 1ghu s ALA 91 Ca -0.08 -2.67 0.20 0.00 0.00 0.00 0.00 51.96 49.41 1ghu s ALA 91 Cb 0.16 -1.99 1.26 0.00 0.00 0.00 0.00 23.12 22.56 1ghu s ALA 91 CO 0.75 -1.78 2.04 -1.35 0.00 0.00 0.00 175.76 175.42 1ghu h PRO 92 N 7.34 0.10 -1.84 0.00 0.11 -1.76 -2.88 132.00 133.07 1ghu h PRO 92 Ca -0.05 -0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.68 1ghu h PRO 92 Cb 0.99 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 31.93 1ghu h PRO 92 CO 0.56 0.07 0.27 0.41 -0.21 0.00 0.00 178.00 179.10 1ghu n GLY 93 N -1.58 3.98 3.47 -0.55 0.00 -1.26 -4.78 105.19 104.47 1ghu n GLY 93 Ca 0.06 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 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 0.61 -0.74 0.37 1.61 -1.08 -1.09 -4.70 116.67 111.66 1ghu s ASP 94 Ca 0.48 1.25 0.08 0.00 -0.52 0.00 0.00 52.55 53.84 1ghu s ASP 94 Cb 0.31 1.34 -0.05 0.00 -1.46 0.00 0.00 42.92 43.06 1ghu s ASP 94 CO -0.11 -0.22 0.16 -0.36 0.52 0.00 0.00 175.17 175.16 1ghu s PHE 95 N 1.92 2.65 -0.19 -5.34 0.08 -0.93 -1.70 117.98 114.47 1ghu s PHE 95 Ca -0.08 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.45 1ghu s PHE 95 Cb -0.08 -1.78 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 1ghu s PHE 95 CO -0.16 0.27 0.25 -1.12 -0.10 0.00 0.00 175.22 174.35 1ghu s SER 96 N -3.87 1.02 -0.55 1.36 0.01 -0.14 -1.38 113.70 110.16 1ghu s SER 96 Ca 0.39 -0.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.36 1ghu s SER 96 Cb 0.00 0.54 0.03 0.00 0.21 0.00 0.00 66.02 66.81 1ghu s SER 96 CO 0.23 -0.31 1.20 -0.22 0.41 0.00 0.00 173.24 174.55 1ghu s LEU 97 N 2.37 3.50 -0.63 2.44 2.96 -0.48 -1.53 118.68 127.32 1ghu s LEU 97 Ca 0.07 0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 54.01 1ghu s LEU 97 Cb -0.15 -3.28 0.08 0.00 0.50 0.00 0.00 46.19 43.34 1ghu s LEU 97 CO -0.12 -1.43 0.87 -0.44 -1.32 0.00 0.00 176.35 173.91 1ghu s SER 98 N 2.93 6.18 -0.14 3.68 0.01 -0.84 -1.93 113.70 123.59 1ghu s SER 98 Ca 0.45 -1.11 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1ghu s SER 98 Cb -0.08 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1ghu s SER 98 CO 0.28 -1.31 -0.14 0.54 0.41 0.00 0.00 173.24 173.02 1ghu s VAL 99 N 3.56 1.54 0.31 3.43 0.11 -0.84 -1.55 120.40 126.96 1ghu s VAL 99 Ca 0.19 -0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 58.34 1ghu s VAL 99 Cb -0.19 -1.44 -0.09 0.00 -1.53 0.00 0.00 36.38 33.12 1ghu s VAL 99 CO 0.09 0.45 1.04 -0.75 -3.33 0.00 0.00 175.10 172.60 1ghu s LYS 100 N 1.40 4.55 -0.25 1.54 2.20 -0.33 -1.41 119.74 127.44 1ghu s LYS 100 Ca 0.03 1.61 -0.02 0.00 -0.36 0.00 0.00 55.97 57.23 1ghu s LYS 100 Cb -0.13 -2.99 0.13 0.00 -1.51 0.00 0.00 37.83 33.33 1ghu s LYS 100 CO -0.09 0.19 0.35 0.12 -0.36 0.00 0.00 175.35 175.56 1ghu s PHE 101 N -1.35 -0.75 0.00 4.03 5.36 -0.82 -1.63 117.98 122.83 1ghu s PHE 101 Ca 0.48 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1ghu s PHE 101 Cb -0.27 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.31 1ghu s PHE 101 CO 0.34 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 1ghu n GLY 102 N 5.35 1.42 2.35 13.12 0.00 -1.26 -3.86 105.19 122.31 1ghu n GLY 102 Ca -0.03 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 4.99 1.62 -3.64 1.61 3.02 -1.26 -4.94 115.26 116.66 1ghu n ASN 103 Ca 0.00 -3.15 -0.06 0.00 -0.03 0.00 0.00 54.58 51.34 1ghu n ASN 103 Cb 0.00 -0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.50 1ghu n ASN 103 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1ghu s ASP 104 N -2.64 -0.93 -0.43 6.41 1.47 -1.25 -5.14 116.67 114.16 1ghu s ASP 104 Ca 0.42 1.46 -0.16 0.00 1.18 0.00 0.00 52.55 55.45 1ghu s ASP 104 Cb 0.33 1.46 0.03 0.00 -0.34 0.00 0.00 42.92 44.40 1ghu s ASP 104 CO -0.09 -0.23 0.37 -0.69 0.68 0.00 0.00 175.17 175.20 1ghu s VAL 105 N 1.74 5.20 -0.28 2.11 1.01 -1.26 -1.94 120.40 126.98 1ghu s VAL 105 Ca -0.09 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1ghu s VAL 105 Cb -0.06 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1ghu s VAL 105 CO -0.19 -0.41 0.20 -1.10 0.00 0.00 0.00 175.10 173.60 1ghu s GLN 106 N 1.83 3.96 -0.47 2.72 -0.21 -0.50 -4.89 119.66 122.10 1ghu s GLN 106 Ca 0.07 -0.30 -0.15 0.00 0.02 0.00 0.00 55.36 55.00 1ghu s GLN 106 Cb -0.19 -3.65 0.07 0.00 1.00 0.00 0.00 33.01 30.24 1ghu s GLN 106 CO 0.10 -0.17 0.39 -1.01 -2.12 0.00 0.00 175.29 172.49 1ghu s HIS 107 N 1.72 3.25 -0.20 0.91 3.76 -1.26 -1.98 115.29 121.50 1ghu s HIS 107 Ca 0.07 -0.99 -0.08 0.00 -0.15 0.00 0.00 55.06 53.91 1ghu s HIS 107 Cb -0.16 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 1ghu s HIS 107 CO 0.10 -0.81 0.09 -0.06 -0.85 0.00 0.00 174.74 173.22 1ghu s PHE 108 N 1.62 3.30 -0.05 1.40 0.08 -0.81 -4.94 117.98 118.58 1ghu s PHE 108 Ca 0.04 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 1ghu s PHE 108 Cb -0.24 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1ghu s PHE 108 CO 0.06 0.17 1.12 0.21 -0.10 0.00 0.00 175.22 176.68 1ghu s LYS 109 N 0.48 4.40 -0.44 0.44 2.20 -1.26 -1.38 119.74 124.18 1ghu s LYS 109 Ca 0.05 1.58 -0.07 0.00 -0.36 0.00 0.00 55.97 57.17 1ghu s LYS 109 Cb -0.12 -3.52 0.11 0.00 -1.51 0.00 0.00 37.83 32.79 1ghu s LYS 109 CO 0.00 -0.34 0.29 0.08 -0.36 0.00 0.00 175.35 175.01 1ghu s VAL 110 N 1.88 3.90 0.02 4.02 1.01 -0.48 -4.49 120.40 126.26 1ghu s VAL 110 Ca 0.54 -1.82 0.05 0.00 0.00 0.00 0.00 61.98 60.74 1ghu s VAL 110 Cb -0.23 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1ghu s VAL 110 CO 0.22 -0.71 -0.12 -1.48 0.00 0.00 0.00 175.10 173.02 1ghu s LEU 111 N 1.30 2.91 0.30 3.92 2.34 -0.78 -2.18 118.68 126.49 1ghu s LEU 111 Ca 0.06 -0.26 -0.11 0.00 0.06 0.00 0.00 54.13 53.88 1ghu s LEU 111 Cb -0.25 -1.68 -0.07 0.00 -0.56 0.00 0.00 46.19 43.63 1ghu s LEU 111 CO -0.02 0.28 0.65 -0.13 -1.06 0.00 0.00 176.35 176.07 1ghu s ARG 112 N -1.38 3.82 -0.10 1.48 0.52 -1.26 -2.08 118.95 119.95 1ghu s ARG 112 Ca 0.16 0.38 -0.09 0.00 -0.52 0.00 0.00 55.73 55.66 1ghu s ARG 112 Cb -0.11 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1ghu s ARG 112 CO 0.06 0.18 -0.17 -0.40 0.02 0.00 0.00 175.30 174.99 1ghu n ASP 113 N -0.57 1.16 0.00 0.23 5.75 -1.13 -4.99 116.55 117.00 1ghu n ASP 113 Ca 0.01 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1ghu n ASP 113 Cb 0.53 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1ghu n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ghu n GLY 114 N 1.56 0.05 2.71 6.12 0.00 -1.26 -5.07 105.19 109.30 1ghu n GLY 114 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1ghu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu s ALA 115 N -4.00 0.24 -1.07 4.61 0.00 -1.26 -4.86 121.76 115.42 1ghu s ALA 115 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1ghu s ALA 115 Cb 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1ghu s ALA 115 CO 0.00 -0.37 0.90 0.41 0.00 0.00 0.00 175.76 176.70 1ghu n GLY 116 N 4.96 -0.41 2.41 0.00 0.00 -1.26 -5.03 105.19 105.86 1ghu n GLY 116 Ca -0.10 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1ghu n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ghu n LYS 117 N -3.72 0.55 -2.84 1.61 4.76 -1.26 -4.46 118.16 112.79 1ghu n LYS 117 Ca -0.23 -3.38 -0.43 0.00 -2.87 0.00 0.00 58.31 51.40 1ghu n LYS 117 Cb 0.65 -1.67 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 1ghu n LYS 117 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ghu s TYR 118 N -0.44 2.89 -0.06 2.13 2.02 -0.86 -2.84 117.35 120.19 1ghu s TYR 118 Ca 0.33 0.25 0.06 0.00 -0.37 0.00 0.00 57.07 57.34 1ghu s TYR 118 Cb 0.06 -3.97 -0.01 0.00 -0.40 0.00 0.00 41.96 37.64 1ghu s TYR 118 CO -0.17 -1.16 -0.25 -0.59 -1.57 0.00 0.00 175.55 171.81 1ghu s PHE 119 N 3.76 2.44 -0.22 2.71 -0.12 -0.88 -1.44 117.98 124.23 1ghu s PHE 119 Ca 0.35 -0.71 -0.17 0.00 -0.05 0.00 0.00 56.93 56.35 1ghu s PHE 119 Cb -0.11 -1.60 -0.13 0.00 -0.63 0.00 0.00 43.02 40.55 1ghu s PHE 119 CO 0.24 -0.21 -0.10 1.47 -0.05 0.00 0.00 175.22 176.57 1ghu n LEU 120 N 2.93 1.89 0.00 -1.99 -0.00 -1.26 -1.87 117.00 116.70 1ghu n LEU 120 Ca -0.17 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1ghu n LEU 120 Cb 0.52 -0.88 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1ghu n LEU 120 CO 0.25 0.21 0.00 0.79 -0.00 0.00 0.00 177.39 178.65 1ghu n TRP 121 N -4.40 0.00 0.00 1.47 8.01 -1.26 -4.91 117.44 116.35 1ghu n TRP 121 Ca -0.34 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.85 1ghu n TRP 121 Cb 0.68 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 1ghu n TRP 121 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.69 178.01 1ghu n VAL 122 N -1.20 0.00 -2.71 -0.99 0.24 -1.26 -5.13 118.33 107.29 1ghu n VAL 122 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1ghu n VAL 122 Cb 0.00 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.14 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 -1.61 4.67 0.48 3.34 0.11 -1.26 -4.89 120.40 121.23 1ghu s VAL 123 Ca 0.00 2.05 -0.15 0.00 -2.93 0.00 0.00 61.98 60.94 1ghu s VAL 123 Cb 0.00 -4.31 -0.08 0.00 -1.53 0.00 0.00 36.38 30.46 1ghu s VAL 123 CO 0.00 0.23 0.92 -1.59 -3.33 0.00 0.00 175.10 171.34 1ghu s LYS 124 N 0.52 3.93 -0.13 1.54 0.00 -1.26 -4.51 119.74 119.83 1ghu s LYS 124 Ca 0.50 0.84 -0.02 0.00 0.00 0.00 0.00 55.97 57.28 1ghu s LYS 124 Cb -0.22 -2.21 0.05 0.00 0.00 0.00 0.00 37.83 35.44 1ghu s LYS 124 CO 0.29 -0.19 0.03 -0.06 0.00 0.00 0.00 175.35 175.42 1ghu s PHE 125 N -2.52 0.72 0.33 1.78 0.08 -0.52 -4.90 117.98 112.95 1ghu s PHE 125 Ca 0.57 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 57.24 1ghu s PHE 125 Cb -0.10 -0.87 0.78 0.00 -0.57 0.00 0.00 43.02 42.26 1ghu s PHE 125 CO 0.30 -0.46 1.83 -0.91 -0.10 0.00 0.00 175.22 175.88 1ghu h ASN 126 N 8.31 0.72 -4.55 1.36 4.21 -1.86 -2.29 115.58 121.48 1ghu h ASN 126 Ca -0.17 0.06 -0.24 0.00 1.21 0.00 0.00 56.30 57.16 1ghu h ASN 126 Cb 1.13 -0.08 -0.15 0.00 -1.12 0.00 0.00 38.32 38.10 1ghu h ASN 126 CO 0.29 0.33 -0.70 -0.94 -1.29 0.00 0.00 177.43 175.12 1ghu s SER 127 N -5.63 1.19 -0.25 5.81 1.04 -1.26 -4.39 113.70 110.21 1ghu s SER 127 Ca -0.10 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.01 1ghu s SER 127 Cb 0.23 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ghu s SER 127 CO 0.80 -0.46 1.19 -0.76 0.98 0.00 0.00 173.24 174.98 1ghu s LEU 128 N -3.06 4.03 0.00 2.42 1.02 -1.26 -2.67 118.68 119.16 1ghu s LEU 128 Ca 0.13 1.36 0.00 0.00 0.02 0.00 0.00 54.13 55.64 1ghu s LEU 128 Cb 0.05 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.72 1ghu s LEU 128 CO -0.04 -0.86 0.00 -3.20 0.02 0.00 0.00 176.35 172.28 1ghu n ASN 129 N 6.88 0.00 -0.00 2.29 2.85 -1.26 -4.92 115.26 121.10 1ghu n ASN 129 Ca 0.13 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.50 1ghu n ASN 129 Cb 0.46 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.43 1ghu n ASN 129 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1ghu h GLU 130 N 0.00 0.07 -0.95 1.20 4.81 -1.93 -1.70 114.58 116.07 1ghu h GLU 130 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ghu h GLU 130 Cb 0.00 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1ghu h GLU 130 CO 0.00 0.05 0.59 1.25 -0.73 0.00 0.00 179.01 180.17 1ghu h LEU 131 N 0.07 1.13 0.74 1.64 5.85 -1.82 -2.59 115.31 120.33 1ghu h LEU 131 Ca 0.05 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1ghu h LEU 131 Cb 0.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1ghu h LEU 131 CO -0.06 0.85 -0.40 0.58 -0.34 0.00 0.00 178.44 179.07 1ghu h VAL 132 N 1.30 0.00 -0.03 1.05 2.07 -1.84 -2.95 116.25 115.85 1ghu h VAL 132 Ca 0.34 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 1ghu h VAL 132 Cb -0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1ghu h VAL 132 CO -0.07 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.67 1ghu h ASP 133 N -1.05 0.04 0.74 0.57 3.58 -1.39 -1.83 116.42 117.08 1ghu h ASP 133 Ca -0.10 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 1ghu h ASP 133 Cb 0.82 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.86 1ghu h ASP 133 CO 0.14 0.12 -0.37 0.22 -2.88 0.00 0.00 179.24 176.47 1ghu h TYR 134 N 0.04 -0.96 0.00 0.28 3.20 -1.53 -3.22 116.97 114.77 1ghu h TYR 134 Ca 0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ghu h TYR 134 Cb 0.16 0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1ghu h TYR 134 CO 0.00 -0.59 0.00 0.72 -1.64 0.00 0.00 178.16 176.65 1ghu n HIS 135 N -5.53 0.00 0.24 -3.82 8.25 -1.11 -1.78 115.22 111.46 1ghu n HIS 135 Ca -0.14 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1ghu n HIS 135 Cb 0.41 -0.48 0.59 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 0.03 0.00 -0.41 2.43 -1.34 -3.11 114.38 111.97 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 0.25 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1ghu h ARG 136 CO 0.00 0.07 -1.80 0.43 -1.51 0.00 0.00 179.97 177.17 1ghu n SER 137 N -4.47 2.20 -4.91 -3.80 7.64 -1.17 -4.27 113.62 104.85 1ghu n SER 137 Ca -0.03 -0.01 -0.28 0.00 1.01 0.00 0.00 58.87 59.57 1ghu n SER 137 Cb 0.14 0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 64.02 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 -2.28 4.98 0.28 0.44 2.01 -0.73 -5.04 115.64 115.29 1ghu s THR 138 Ca -0.07 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1ghu s THR 138 Cb 0.04 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1ghu s THR 138 CO 0.46 -0.47 1.35 -0.55 -0.69 0.00 0.00 174.62 174.72 1ghu s SER 139 N -3.44 6.77 -0.02 3.53 0.15 -1.26 -4.47 113.70 114.95 1ghu s SER 139 Ca 0.45 2.61 -0.25 0.00 0.70 0.00 0.00 55.95 59.47 1ghu s SER 139 Cb -0.10 -2.63 -0.20 0.00 -1.71 0.00 0.00 66.02 61.38 1ghu s SER 139 CO 0.33 -0.58 1.21 0.58 1.20 0.00 0.00 173.24 175.99 1ghu h VAL 140 N 3.35 1.43 -3.20 4.45 2.07 -1.77 -3.47 116.25 119.12 1ghu h VAL 140 Ca -0.47 -1.37 -0.45 0.00 0.82 0.00 0.00 66.70 65.22 1ghu h VAL 140 Cb 1.22 2.28 0.08 0.00 -1.52 0.00 0.00 31.29 33.35 1ghu h VAL 140 CO 0.72 0.37 0.17 -0.55 0.02 0.00 0.00 177.57 178.30 1ghu s SER 141 N -5.90 4.62 -0.11 0.57 0.15 -1.25 -4.97 113.70 106.81 1ghu s SER 141 Ca -0.16 0.17 -0.07 0.00 0.70 0.00 0.00 55.95 56.59 1ghu s SER 141 Cb 0.02 -0.74 -0.06 0.00 -1.71 0.00 0.00 66.02 63.53 1ghu s SER 141 CO 0.70 -1.69 0.18 0.03 1.20 0.00 0.00 173.24 173.66 1ghu h ARG 142 N -0.56 -0.00 0.48 5.44 2.47 -2.04 -3.43 114.38 116.74 1ghu h ARG 142 Ca -0.42 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.27 1ghu h ARG 142 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1ghu h ARG 142 CO 0.52 0.22 -0.23 -0.97 0.56 0.00 0.00 179.97 180.07 1ghu h ASN 143 N -1.00 -0.55 -3.91 7.04 -0.73 -2.01 -3.46 115.58 110.97 1ghu h ASN 143 Ca -0.00 -0.00 -0.47 0.00 1.87 0.00 0.00 56.30 57.70 1ghu h ASN 143 Cb 0.22 0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 1ghu h ASN 143 CO 0.00 -0.13 0.35 -1.10 -0.37 0.00 0.00 177.43 176.18 1ghu s GLN 144 N -3.77 4.53 -0.46 6.67 -0.21 -1.26 -5.05 119.66 120.12 1ghu s GLN 144 Ca -0.10 1.31 -0.13 0.00 0.02 0.00 0.00 55.36 56.46 1ghu s GLN 144 Cb 0.01 -2.72 0.08 0.00 1.00 0.00 0.00 33.01 31.38 1ghu s GLN 144 CO 0.31 0.23 0.35 -0.65 -2.12 0.00 0.00 175.29 173.42 1ghu s GLN 145 N -2.20 2.82 -0.16 2.91 1.11 -1.26 -3.83 119.66 119.06 1ghu s GLN 145 Ca 0.52 -1.43 -0.02 0.00 0.01 0.00 0.00 55.36 54.44 1ghu s GLN 145 Cb -0.17 -4.00 -0.01 0.00 -1.01 0.00 0.00 33.01 27.81 1ghu s GLN 145 CO 0.23 -1.02 -0.09 0.42 0.01 0.00 0.00 175.29 174.83 1ghu s ILE 146 N 1.55 3.27 -0.11 1.08 1.09 -1.26 -4.97 121.20 121.85 1ghu s ILE 146 Ca 0.04 -0.57 0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1ghu s ILE 146 Cb -0.24 -2.41 0.01 0.00 -1.06 0.00 0.00 42.46 38.76 1ghu s ILE 146 CO 0.04 0.50 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.87 1ghu s PHE 147 N 0.63 1.94 0.18 3.97 0.08 -1.26 -2.73 117.98 120.79 1ghu s PHE 147 Ca -0.05 -0.91 -0.30 0.00 0.12 0.00 0.00 56.93 55.79 1ghu s PHE 147 Cb -0.15 -1.41 -0.08 0.00 -0.57 0.00 0.00 43.02 40.81 1ghu s PHE 147 CO 0.03 -0.47 1.15 -0.51 -0.10 0.00 0.00 175.22 175.31 1ghu s LEU 148 N 1.00 4.47 -0.02 -0.37 1.02 -1.18 -4.03 118.68 119.57 1ghu s LEU 148 Ca -0.06 2.15 0.04 0.00 0.02 0.00 0.00 54.13 56.28 1ghu s LEU 148 Cb -0.15 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 1ghu s LEU 148 CO -0.02 -0.30 -0.14 -0.13 0.02 0.00 0.00 176.35 175.78 1ghu s ARG 149 N -0.28 1.24 0.45 1.70 1.81 -0.55 -4.75 118.95 118.57 1ghu s ARG 149 Ca 0.51 -0.52 -0.23 0.00 -1.72 0.00 0.00 55.73 53.78 1ghu s ARG 149 Cb -0.31 -1.17 -0.08 0.00 -0.45 0.00 0.00 34.95 32.94 1ghu s ARG 149 CO 0.36 0.29 1.11 -0.51 -0.68 0.00 0.00 175.30 175.87 1ghu s ASP 150 N -0.25 6.35 0.74 0.23 1.01 -1.26 -3.10 116.67 120.39 1ghu s ASP 150 Ca 0.04 2.18 -0.12 0.00 0.71 0.00 0.00 52.55 55.36 1ghu s ASP 150 Cb -0.07 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.31 1ghu s ASP 150 CO -0.00 -0.78 1.10 0.27 0.21 0.00 0.00 175.17 175.96 1ghu s ILE 151 N -1.63 3.32 -2.49 0.77 -4.36 -1.26 -4.86 121.20 110.68 1ghu s ILE 151 Ca 0.63 0.48 0.28 0.00 -0.26 0.00 0.00 60.65 61.77 1ghu s ILE 151 Cb -0.25 -2.98 0.55 0.00 1.25 0.00 0.00 42.46 41.04 1ghu s ILE 151 CO 0.31 -0.52 1.75 1.21 0.24 0.00 0.00 174.94 177.93