#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixt s ILE 2 N 0.00 3.32 0.25 2.12 1.01 -1.26 -4.91 121.20 121.73 3ixt s ILE 2 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3ixt s ILE 2 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3ixt s ILE 2 CO 0.00 0.14 0.40 -1.10 0.00 0.00 0.00 174.94 174.37 3ixt s GLN 3 N 1.39 3.46 -0.10 2.79 -0.21 -1.26 -4.74 119.66 120.99 3ixt s GLN 3 Ca 0.01 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3ixt s GLN 3 Cb -0.17 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.02 3ixt s GLN 3 CO -0.01 0.37 -0.11 -1.64 -2.12 0.00 0.00 175.29 171.78 3ixt s MET 4 N -3.93 1.80 -0.24 2.91 -1.94 -1.26 -1.94 119.30 114.71 3ixt s MET 4 Ca 0.36 -0.39 -0.07 0.00 -1.71 0.00 0.00 55.69 53.87 3ixt s MET 4 Cb -0.09 -1.66 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 3ixt s MET 4 CO 0.31 -0.15 0.06 0.99 -0.01 0.00 0.00 175.02 176.22 3ixt s THR 5 N 1.27 4.35 -0.09 2.05 2.01 -0.72 -3.84 115.64 120.67 3ixt s THR 5 Ca -0.02 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3ixt s THR 5 Cb -0.14 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3ixt s THR 5 CO -0.04 0.36 -0.12 -1.58 -0.69 0.00 0.00 174.62 172.54 3ixt s GLN 6 N 1.40 2.96 -0.02 4.92 0.74 -1.26 -0.82 119.66 127.59 3ixt s GLN 6 Ca 0.05 -0.66 -0.08 0.00 0.05 0.00 0.00 55.36 54.72 3ixt s GLN 6 Cb -0.15 -2.54 0.01 0.00 1.10 0.00 0.00 33.01 31.43 3ixt s GLN 6 CO 0.03 0.44 0.17 -1.54 -0.55 0.00 0.00 175.29 173.85 3ixt s SER 7 N -0.23 -0.05 0.73 6.67 1.04 -0.33 -4.24 113.70 117.28 3ixt s SER 7 Ca 0.01 -0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 3ixt s SER 7 Cb -0.13 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.28 3ixt s SER 7 CO 0.03 -0.32 1.08 -2.84 0.98 0.00 0.00 173.24 172.17 3ixt s PRO 8 N -1.07 2.62 0.27 4.02 0.02 -1.26 -0.87 135.00 138.73 3ixt s PRO 8 Ca -0.12 0.77 0.13 0.00 0.02 0.00 0.00 61.00 61.80 3ixt s PRO 8 Cb -0.06 -1.97 0.31 0.00 0.02 0.00 0.00 34.50 32.80 3ixt s PRO 8 CO 0.02 -1.28 1.56 0.66 -0.33 0.00 0.00 177.00 177.63 3ixt h SER 9 N -0.84 0.00 -4.79 2.53 4.64 -1.81 -3.42 113.55 109.87 3ixt h SER 9 Ca -0.45 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 3ixt h SER 9 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 3ixt h SER 9 CO 0.59 0.61 -0.66 -0.89 -0.87 0.00 0.00 176.83 175.61 3ixt s THR 10 N -3.37 0.50 -0.24 2.95 2.01 -1.26 -1.25 115.64 114.97 3ixt s THR 10 Ca 0.00 -1.96 -0.26 0.00 0.31 0.00 0.00 61.69 59.78 3ixt s THR 10 Cb 0.11 -2.09 0.11 0.00 0.01 0.00 0.00 72.50 70.64 3ixt s THR 10 CO 0.75 -0.48 0.94 -0.22 -0.69 0.00 0.00 174.62 174.92 3ixt s LEU 11 N -3.13 -0.51 -0.04 4.42 2.96 -0.31 -4.85 118.68 117.21 3ixt s LEU 11 Ca 0.24 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 55.05 3ixt s LEU 11 Cb 0.07 2.05 0.03 0.00 0.50 0.00 0.00 46.19 48.83 3ixt s LEU 11 CO 0.03 -0.24 0.01 -0.55 -1.32 0.00 0.00 176.35 174.28 3ixt s SER 12 N -0.06 0.80 0.02 3.68 0.15 -1.26 -0.34 113.70 116.68 3ixt s SER 12 Ca 0.01 -0.03 -0.10 0.00 0.70 0.00 0.00 55.95 56.53 3ixt s SER 12 Cb -0.04 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 3ixt s SER 12 CO -0.02 -0.14 0.20 0.00 1.20 0.00 0.00 173.24 174.48 3ixt s ALA 13 N 1.39 -0.45 0.42 5.45 0.00 -0.77 -4.84 121.76 122.96 3ixt s ALA 13 Ca -0.05 -0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 3ixt s ALA 13 Cb -0.13 0.18 -0.11 0.00 0.00 0.00 0.00 23.12 23.06 3ixt s ALA 13 CO -0.03 -0.29 0.94 -1.12 0.00 0.00 0.00 175.76 175.26 3ixt s SER 14 N -1.68 6.93 -0.06 0.00 0.01 -1.26 -0.19 113.70 117.45 3ixt s SER 14 Ca -0.10 1.66 -0.36 0.00 1.31 0.00 0.00 55.95 58.47 3ixt s SER 14 Cb -0.04 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.52 3ixt s SER 14 CO -0.00 -0.35 1.74 0.52 0.41 0.00 0.00 173.24 175.56 3ixt n VAL 15 N -0.62 0.36 0.00 3.43 0.31 -1.25 -1.11 118.33 119.44 3ixt n VAL 15 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ixt n VAL 15 Cb 0.54 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3ixt n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ixt n GLY 16 N 3.99 2.90 3.77 2.92 0.00 0.29 -4.90 105.19 114.16 3ixt n GLY 16 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3ixt n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ixt s ASP 17 N -1.44 5.53 -0.05 1.61 1.11 -0.27 -4.34 116.67 118.83 3ixt s ASP 17 Ca 0.00 2.23 -0.23 0.00 0.18 0.00 0.00 52.55 54.73 3ixt s ASP 17 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3ixt s ASP 17 CO 0.00 -1.35 0.69 -0.60 1.18 0.00 0.00 175.17 175.09 3ixt s ARG 18 N -3.33 4.43 -0.07 8.23 3.52 -1.19 -1.42 118.95 129.12 3ixt s ARG 18 Ca 0.74 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 57.25 3ixt s ARG 18 Cb -0.26 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3ixt s ARG 18 CO 0.29 0.12 -0.16 0.08 -0.81 0.00 0.00 175.30 174.82 3ixt s VAL 19 N 0.62 1.44 -0.13 7.11 1.01 -0.68 -5.01 120.40 124.77 3ixt s VAL 19 Ca 0.37 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3ixt s VAL 19 Cb -0.18 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3ixt s VAL 19 CO 0.18 0.42 -0.16 -0.89 0.00 0.00 0.00 175.10 174.65 3ixt s THR 20 N 0.52 1.64 -0.11 3.92 2.01 -1.26 -0.88 115.64 121.48 3ixt s THR 20 Ca -0.15 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3ixt s THR 20 Cb -0.16 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 3ixt s THR 20 CO 0.05 0.47 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 3ixt s ILE 21 N 1.10 3.89 -0.05 1.82 1.01 0.54 -4.74 121.20 124.77 3ixt s ILE 21 Ca -0.03 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3ixt s ILE 21 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 3ixt s ILE 21 CO -0.05 0.56 -0.17 -0.89 0.00 0.00 0.00 174.94 174.39 3ixt s THR 22 N -0.33 2.82 -0.09 2.92 2.01 -0.05 -0.40 115.64 122.52 3ixt s THR 22 Ca 0.05 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.27 3ixt s THR 22 Cb -0.12 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3ixt s THR 22 CO 0.02 0.58 -0.16 0.00 -0.69 0.00 0.00 174.62 174.38 3ixt s SER 24 N 0.73 3.73 0.29 0.00 1.04 -0.00 -1.81 113.70 117.68 3ixt s SER 24 Ca -0.12 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.12 3ixt s SER 24 Cb -0.16 -1.35 -0.09 0.00 0.10 0.00 0.00 66.02 64.52 3ixt s SER 24 CO 0.03 -0.15 0.69 0.00 0.98 0.00 0.00 173.24 174.79 3ixt s ALA 25 N 1.29 3.38 0.26 5.32 0.00 -0.23 -1.76 121.76 130.03 3ixt s ALA 25 Ca -0.03 -0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.13 3ixt s ALA 25 Cb -0.17 -2.70 0.98 0.00 0.00 0.00 0.00 23.12 21.23 3ixt s ALA 25 CO -0.08 0.37 1.87 0.66 0.00 0.00 0.00 175.76 178.59 3ixt h SER 26 N 2.43 0.00 -5.09 0.00 4.64 -1.73 -3.45 113.55 110.35 3ixt h SER 26 Ca -0.48 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 3ixt h SER 26 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 3ixt h SER 26 CO 0.66 0.26 -0.67 -0.94 -0.87 0.00 0.00 176.83 175.27 3ixt s SER 27 N -6.34 0.64 0.37 4.97 1.04 -1.26 -5.02 113.70 108.10 3ixt s SER 27 Ca -0.01 -1.11 -0.28 0.00 0.48 0.00 0.00 55.95 55.03 3ixt s SER 27 Cb 0.12 0.21 -0.11 0.00 0.10 0.00 0.00 66.02 66.34 3ixt s SER 27 CO 0.65 -0.63 1.44 -0.60 0.98 0.00 0.00 173.24 175.08 3ixt s ARG 29 N -3.96 4.13 0.02 4.02 3.52 -1.26 -4.72 118.95 120.70 3ixt s ARG 29 Ca 0.17 2.49 0.01 0.00 -0.13 0.00 0.00 55.73 58.28 3ixt s ARG 29 Cb 0.07 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 3ixt s ARG 29 CO -0.02 -0.48 -0.05 0.08 -0.81 0.00 0.00 175.30 174.01 3ixt s VAL 30 N -1.13 0.37 -0.02 7.11 1.01 -0.55 -5.01 120.40 122.18 3ixt s VAL 30 Ca 0.52 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 3ixt s VAL 30 Cb -0.45 -0.42 -0.23 0.00 0.00 0.00 0.00 36.38 35.29 3ixt s VAL 30 CO 0.61 -0.24 1.09 1.23 0.00 0.00 0.00 175.10 177.79 3ixt h GLY 31 N 5.09 0.34 -5.11 4.51 0.00 -1.95 -3.34 103.07 102.61 3ixt h GLY 31 Ca -0.32 -0.57 -0.26 0.00 0.00 0.00 0.00 47.33 46.18 3ixt h GLY 31 CO 0.44 0.50 -0.73 -0.19 0.00 0.00 0.00 176.54 176.56 3ixt s TYR 32 N -3.27 0.43 -0.07 5.60 2.02 -1.26 -4.92 117.35 115.89 3ixt s TYR 32 Ca -0.14 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3ixt s TYR 32 Cb 0.03 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 3ixt s TYR 32 CO 0.78 -0.07 -0.12 1.41 -1.57 0.00 0.00 175.55 175.99 3ixt s MET 33 N -0.86 2.69 0.14 -0.62 -2.45 -1.26 -4.64 119.30 112.29 3ixt s MET 33 Ca -0.06 -0.65 0.10 0.00 -1.25 0.00 0.00 55.69 53.83 3ixt s MET 33 Cb -0.06 -2.47 -0.04 0.00 1.25 0.00 0.00 34.83 33.51 3ixt s MET 33 CO -0.00 0.58 -0.23 -1.01 1.05 0.00 0.00 175.02 175.41 3ixt s HIS 34 N -0.61 2.06 -0.01 4.11 0.09 -0.46 -0.61 115.29 119.85 3ixt s HIS 34 Ca 0.09 -0.40 0.04 0.00 -0.00 0.00 0.00 55.06 54.79 3ixt s HIS 34 Cb -0.11 -1.08 -0.01 0.00 -0.00 0.00 0.00 32.58 31.38 3ixt s HIS 34 CO 0.01 0.34 -0.14 -1.58 -0.00 0.00 0.00 174.74 173.38 3ixt s TRP 35 N -1.44 1.25 -0.05 1.40 0.52 0.66 0.80 118.94 122.08 3ixt s TRP 35 Ca 0.14 -0.25 0.05 0.00 0.02 0.00 0.00 56.10 56.06 3ixt s TRP 35 Cb -0.09 -0.81 -0.01 0.00 -1.15 0.00 0.00 33.47 31.41 3ixt s TRP 35 CO 0.07 -0.04 -0.21 0.71 0.02 0.00 0.00 176.95 177.49 3ixt s TYR 36 N -0.25 2.10 -0.12 -1.98 2.02 0.10 -0.79 117.35 118.42 3ixt s TYR 36 Ca 0.04 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 3ixt s TYR 36 Cb -0.06 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 3ixt s TYR 36 CO -0.00 -0.19 0.07 -1.14 -1.57 0.00 0.00 175.55 172.73 3ixt s GLN 37 N -0.10 3.40 -0.07 -0.62 0.74 0.38 -1.21 119.66 122.19 3ixt s GLN 37 Ca -0.03 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.11 3ixt s GLN 37 Cb -0.12 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 30.95 3ixt s GLN 37 CO 0.03 0.64 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.22 3ixt s GLN 38 N -0.68 1.07 0.50 1.67 0.74 -0.50 0.17 119.66 122.63 3ixt s GLN 38 Ca 0.12 -0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.35 3ixt s GLN 38 Cb -0.12 -1.11 -0.02 0.00 1.10 0.00 0.00 33.01 32.86 3ixt s GLN 38 CO 0.02 -0.15 0.77 0.15 -0.55 0.00 0.00 175.29 175.54 3ixt s LYS 39 N 1.26 3.24 0.22 1.67 -0.14 -1.26 -1.17 119.74 123.55 3ixt s LYS 39 Ca -0.05 -0.06 -0.31 0.00 -1.36 0.00 0.00 55.97 54.18 3ixt s LYS 39 Cb -0.14 -2.41 -0.11 0.00 -1.68 0.00 0.00 37.83 33.49 3ixt s LYS 39 CO -0.02 -0.34 1.64 -2.14 -0.76 0.00 0.00 175.35 173.73 3ixt s PRO 40 N -4.74 4.15 -0.96 -1.68 0.02 -1.26 -2.10 135.00 128.44 3ixt s PRO 40 Ca 0.49 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.03 3ixt s PRO 40 Cb -0.10 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3ixt s PRO 40 CO 0.43 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 3ixt n GLY 41 N 3.42 0.89 3.68 0.52 0.00 -1.26 -4.96 105.19 107.48 3ixt n GLY 41 Ca 0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3ixt n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixt s LYS 42 N -2.71 2.26 0.34 1.61 1.02 -0.89 -5.12 119.74 116.25 3ixt s LYS 42 Ca 0.00 -1.58 -0.22 0.00 0.02 0.00 0.00 55.97 54.19 3ixt s LYS 42 Cb 0.00 -2.10 -0.10 0.00 -0.52 0.00 0.00 37.83 35.11 3ixt s LYS 42 CO 0.00 0.18 0.89 0.00 -0.92 0.00 0.00 175.35 175.50 3ixt s ALA 43 N -2.43 3.20 0.38 5.17 0.00 -1.26 -4.62 121.76 122.20 3ixt s ALA 43 Ca 0.35 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 3ixt s ALA 43 Cb -0.03 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 3ixt s ALA 43 CO 0.21 0.20 1.50 -2.30 0.00 0.00 0.00 175.76 175.37 3ixt n PRO 44 N 0.14 2.70 -4.52 0.00 -0.02 -1.26 -4.67 135.00 127.37 3ixt n PRO 44 Ca 0.03 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 3ixt n PRO 44 Cb 0.52 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 3ixt n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ixt s LYS 45 N -2.04 2.58 -0.15 -0.52 2.20 0.13 -4.94 119.74 117.00 3ixt s LYS 45 Ca 0.54 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 3ixt s LYS 45 Cb -0.47 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 3ixt s LYS 45 CO 0.63 0.62 1.26 -1.17 -0.36 0.00 0.00 175.35 176.33 3ixt s LEU 46 N -1.26 4.20 -0.15 5.43 2.96 -1.26 -0.47 118.68 128.13 3ixt s LEU 46 Ca 0.16 1.72 -0.13 0.00 -0.22 0.00 0.00 54.13 55.66 3ixt s LEU 46 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3ixt s LEU 46 CO 0.06 -0.74 -0.25 0.18 -1.32 0.00 0.00 176.35 174.27 3ixt n LEU 47 N 6.43 1.71 -4.21 -0.68 4.77 0.03 -4.70 117.00 120.34 3ixt n LEU 47 Ca 0.14 0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 56.25 3ixt n LEU 47 Cb 0.45 -0.77 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 3ixt n LEU 47 CO 0.56 -0.37 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.08 3ixt s ILE 48 N -2.48 1.77 0.24 -0.08 -1.09 -1.13 -1.79 121.20 116.64 3ixt s ILE 48 Ca -0.21 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.36 3ixt s ILE 48 Cb 0.03 -1.50 -0.05 0.00 -1.58 0.00 0.00 42.46 39.35 3ixt s ILE 48 CO 0.31 0.50 -0.05 -0.72 -1.23 0.00 0.00 174.94 173.75 3ixt s TYR 49 N -0.08 1.72 -1.30 3.97 -0.85 -0.20 -0.25 117.35 120.38 3ixt s TYR 49 Ca -0.04 -0.77 -0.08 0.00 -0.52 0.00 0.00 57.07 55.66 3ixt s TYR 49 Cb -0.13 -0.96 0.06 0.00 0.38 0.00 0.00 41.96 41.31 3ixt s TYR 49 CO 0.03 0.15 0.47 -0.25 -1.52 0.00 0.00 175.55 174.43 3ixt n ASP 50 N -0.47 -4.04 0.00 -0.18 9.92 -1.26 -0.62 116.55 119.90 3ixt n ASP 50 Ca -0.06 -0.33 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 3ixt n ASP 50 Cb 0.63 -3.34 0.00 0.00 -0.64 0.00 0.00 41.12 37.77 3ixt n ASP 50 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3ixt n THR 51 N -3.97 0.00 -1.12 -3.53 -1.04 0.22 -4.12 114.28 100.71 3ixt n THR 51 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3ixt n THR 51 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3ixt n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3ixt n SER 52 N 2.18 0.00 -4.74 8.00 3.41 -1.18 -2.81 113.62 118.48 3ixt n SER 52 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 3ixt n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3ixt n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ixt s LYS 53 N 0.00 4.46 -0.22 4.33 -0.14 0.21 -4.39 119.74 124.00 3ixt s LYS 53 Ca 0.00 1.00 -0.27 0.00 -1.36 0.00 0.00 55.97 55.34 3ixt s LYS 53 Cb 0.00 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 3ixt s LYS 53 CO 0.00 0.22 0.93 -0.51 -0.76 0.00 0.00 175.35 175.23 3ixt s LEU 54 N 0.19 4.11 0.90 3.17 1.43 -1.26 -1.03 118.68 126.19 3ixt s LEU 54 Ca 0.38 1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 54.60 3ixt s LEU 54 Cb -0.20 -3.36 0.14 0.00 0.03 0.00 0.00 46.19 42.80 3ixt s LEU 54 CO 0.21 -0.57 1.13 0.00 0.23 0.00 0.00 176.35 177.36 3ixt s ALA 55 N 2.88 1.50 0.29 4.21 0.00 -0.74 -4.93 121.76 124.97 3ixt s ALA 55 Ca 0.40 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 3ixt s ALA 55 Cb -0.15 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3ixt s ALA 55 CO 0.08 -2.65 1.32 -1.54 0.00 0.00 0.00 175.76 172.97 3ixt s SER 56 N -2.80 6.80 -0.20 0.00 1.04 -1.26 -2.83 113.70 114.45 3ixt s SER 56 Ca 0.66 2.61 0.00 0.00 0.48 0.00 0.00 55.95 59.70 3ixt s SER 56 Cb -0.22 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.26 3ixt s SER 56 CO 0.58 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3ixt n GLY 57 N 1.29 0.53 3.26 7.32 0.00 -1.26 -5.03 105.19 111.30 3ixt n GLY 57 Ca 0.02 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 3ixt n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixt s VAL 58 N -2.06 3.01 0.24 1.61 1.01 -1.13 -5.08 120.40 117.99 3ixt s VAL 58 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 3ixt s VAL 58 Cb 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 36.38 33.90 3ixt s VAL 58 CO 0.00 0.46 1.30 -2.65 0.00 0.00 0.00 175.10 174.21 3ixt n PRO 59 N 4.72 1.77 0.00 2.72 -0.02 -1.26 -4.80 135.00 138.12 3ixt n PRO 59 Ca -0.19 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ixt n PRO 59 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3ixt n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ixt n SER 60 N 1.92 0.00 -0.24 2.55 3.41 -1.26 -1.27 113.62 118.73 3ixt n SER 60 Ca 0.12 0.36 0.18 0.00 -0.26 0.00 0.00 58.87 59.27 3ixt n SER 60 Cb 0.30 -0.36 0.49 0.00 -0.26 0.00 0.00 64.21 64.38 3ixt n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3ixt h ARG 61 N 0.00 0.44 -6.77 4.33 2.43 -1.95 -3.42 114.38 109.44 3ixt h ARG 61 Ca 0.00 -0.03 -0.50 0.00 -0.81 0.00 0.00 59.98 58.65 3ixt h ARG 61 Cb 0.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3ixt h ARG 61 CO 0.00 0.29 0.10 -0.06 -1.51 0.00 0.00 179.97 178.79 3ixt s PHE 62 N -5.47 3.42 0.11 2.20 0.40 -0.40 -1.45 117.98 116.79 3ixt s PHE 62 Ca -0.08 1.13 -0.24 0.00 -0.60 0.00 0.00 56.93 57.13 3ixt s PHE 62 Cb 0.23 -2.48 0.07 0.00 0.51 0.00 0.00 43.02 41.34 3ixt s PHE 62 CO 0.78 0.01 0.60 -1.54 0.70 0.00 0.00 175.22 175.78 3ixt s SER 63 N -2.67 -0.57 0.12 1.36 1.04 -0.79 -4.98 113.70 107.21 3ixt s SER 63 Ca 0.53 0.14 0.04 0.00 0.48 0.00 0.00 55.95 57.13 3ixt s SER 63 Cb -0.10 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3ixt s SER 63 CO 0.24 -0.88 -0.10 -0.83 0.98 0.00 0.00 173.24 172.64 3ixt s GLY 64 N -2.41 0.95 -0.18 7.32 0.00 -1.26 -1.43 107.32 110.31 3ixt s GLY 64 Ca -0.02 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 3ixt s GLY 64 CO -0.08 -1.40 1.00 -0.45 0.00 0.00 0.00 173.10 172.16 3ixt s SER 65 N -2.74 -0.40 0.00 1.64 0.15 -0.90 -4.45 113.70 106.99 3ixt s SER 65 Ca 0.10 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3ixt s SER 65 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3ixt s SER 65 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3ixt n GLY 66 N 1.09 2.21 3.66 9.45 0.00 -1.26 -0.24 105.19 120.09 3ixt n GLY 66 Ca -0.11 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 3ixt n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ixt s SER 67 N 0.00 -0.23 1.16 1.61 1.04 -0.29 -4.94 113.70 112.05 3ixt s SER 67 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3ixt s SER 67 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3ixt s SER 67 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3ixt n GLY 68 N -0.39 0.95 0.02 7.32 0.00 -1.26 -1.93 105.19 109.90 3ixt n GLY 68 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3ixt n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixt n THR 69 N 0.00 0.00 -4.23 2.61 -2.24 -1.26 -1.49 114.28 107.67 3ixt n THR 69 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 3ixt n THR 69 Cb 0.00 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.08 3ixt n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ixt s GLU 70 N -0.26 2.91 0.05 -0.78 0.41 -0.81 -1.06 118.70 119.15 3ixt s GLU 70 Ca 0.01 -0.80 0.02 0.00 -0.41 0.00 0.00 54.97 53.79 3ixt s GLU 70 Cb 0.00 -2.48 -0.03 0.00 -1.78 0.00 0.00 34.13 29.85 3ixt s GLU 70 CO 0.01 -0.17 -0.08 -0.06 -0.49 0.00 0.00 175.26 174.47 3ixt s PHE 71 N 1.20 0.73 0.01 1.61 0.08 -0.75 -1.14 117.98 119.72 3ixt s PHE 71 Ca 0.02 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3ixt s PHE 71 Cb -0.14 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 41.87 3ixt s PHE 71 CO -0.10 -0.08 -0.06 0.95 -0.10 0.00 0.00 175.22 175.83 3ixt s THR 72 N -1.55 0.46 -0.10 0.64 -4.23 0.67 -0.89 115.64 110.64 3ixt s THR 72 Ca -0.08 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 3ixt s THR 72 Cb -0.09 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 3ixt s THR 72 CO 0.00 -0.07 0.00 -0.22 -0.54 0.00 0.00 174.62 173.80 3ixt s LEU 73 N -0.66 3.57 -0.07 4.79 2.96 0.46 -2.12 118.68 127.62 3ixt s LEU 73 Ca -0.02 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3ixt s LEU 73 Cb -0.05 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3ixt s LEU 73 CO 0.00 0.34 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.45 3ixt s THR 74 N -0.64 0.57 -0.45 3.68 2.01 -0.51 -0.34 115.64 119.96 3ixt s THR 74 Ca 0.10 -0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 3ixt s THR 74 Cb -0.12 -0.65 0.04 0.00 0.01 0.00 0.00 72.50 71.79 3ixt s THR 74 CO 0.02 0.27 0.43 -0.63 -0.69 0.00 0.00 174.62 174.02 3ixt s ILE 75 N 1.49 5.14 0.02 1.82 1.01 -0.06 -1.89 121.20 128.74 3ixt s ILE 75 Ca -0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3ixt s ILE 75 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3ixt s ILE 75 CO -0.03 -0.52 1.13 0.77 0.00 0.00 0.00 174.94 176.29 3ixt h SER 76 N 8.76 -0.35 -3.80 3.58 4.64 -1.54 -1.80 113.55 123.05 3ixt h SER 76 Ca -0.27 0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.42 3ixt h SER 76 Cb 1.11 0.12 -0.40 0.00 -0.31 0.00 0.00 62.40 62.92 3ixt h SER 76 CO 0.84 -0.15 -0.70 -0.94 -0.87 0.00 0.00 176.83 175.01 3ixt s SER 77 N -2.84 4.66 0.33 4.97 1.04 -1.26 -3.16 113.70 117.44 3ixt s SER 77 Ca -0.04 -2.30 -0.28 0.00 0.48 0.00 0.00 55.95 53.80 3ixt s SER 77 Cb 0.01 -1.61 -0.13 0.00 0.10 0.00 0.00 66.02 64.40 3ixt s SER 77 CO 0.14 -0.35 1.28 -0.11 0.98 0.00 0.00 173.24 175.18 3ixt n LEU 78 N 4.05 3.38 -4.18 2.42 7.94 -0.51 -4.51 117.00 125.60 3ixt n LEU 78 Ca 0.04 1.20 -0.11 0.00 -1.11 0.00 0.00 56.01 56.03 3ixt n LEU 78 Cb 0.40 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.79 3ixt n LEU 78 CO 0.24 -0.55 -0.39 -1.10 -1.11 0.00 0.00 177.39 174.48 3ixt s GLN 79 N -1.69 0.86 0.29 1.96 -0.21 -1.26 -0.55 119.66 119.06 3ixt s GLN 79 Ca 0.57 -1.33 0.02 0.00 0.02 0.00 0.00 55.36 54.64 3ixt s GLN 79 Cb -0.59 -0.27 0.70 0.00 1.00 0.00 0.00 33.01 33.85 3ixt s GLN 79 CO 0.61 -0.00 1.64 -1.35 -2.12 0.00 0.00 175.29 174.07 3ixt h PRO 80 N 2.99 0.19 0.00 2.91 0.11 -1.88 0.13 132.00 136.45 3ixt h PRO 80 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ixt h PRO 80 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ixt h PRO 80 CO 0.64 0.13 0.00 -3.47 -0.21 0.00 0.00 178.00 175.09 3ixt n ASP 81 N -5.23 0.00 -0.17 -2.05 2.03 -1.02 -2.64 116.55 107.47 3ixt n ASP 81 Ca 0.21 -0.54 0.13 0.00 0.52 0.00 0.00 54.79 55.11 3ixt n ASP 81 Cb 0.68 -0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.41 3ixt n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3ixt n ASP 82 N -1.00 0.86 -4.69 1.67 8.00 0.45 -4.84 116.55 116.99 3ixt n ASP 82 Ca 0.13 -0.69 -0.50 0.00 0.71 0.00 0.00 54.79 54.44 3ixt n ASP 82 Cb 0.06 0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 3ixt n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ixt n PHE 83 N -0.93 2.28 -3.93 1.24 7.35 -1.08 -4.85 117.46 117.56 3ixt n PHE 83 Ca 0.10 0.09 0.04 0.00 -0.76 0.00 0.00 57.45 56.91 3ixt n PHE 83 Cb 0.34 -2.63 0.01 0.00 0.35 0.00 0.00 39.48 37.55 3ixt n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ixt s ALA 84 N 3.98 -2.60 -0.15 3.13 0.00 -1.21 -4.82 121.76 120.09 3ixt s ALA 84 Ca 0.94 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 3ixt s ALA 84 Cb -0.76 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3ixt s ALA 84 CO 0.54 -1.15 -0.09 0.99 0.00 0.00 0.00 175.76 176.06 3ixt s THR 85 N -2.04 3.38 -0.11 0.00 2.01 -0.32 -1.26 115.64 117.30 3ixt s THR 85 Ca 0.28 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 3ixt s THR 85 Cb 0.01 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3ixt s THR 85 CO -0.03 0.50 0.01 -0.31 -0.69 0.00 0.00 174.62 174.10 3ixt s TYR 86 N 0.48 3.17 -0.02 4.92 1.51 0.64 -1.41 117.35 126.65 3ixt s TYR 86 Ca -0.07 0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 3ixt s TYR 86 Cb -0.15 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 3ixt s TYR 86 CO 0.04 0.35 -0.15 0.71 -1.11 0.00 0.00 175.55 175.39 3ixt s TYR 87 N -0.51 1.41 0.41 2.71 1.51 -0.35 -0.89 117.35 121.64 3ixt s TYR 87 Ca 0.09 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3ixt s TYR 87 Cb -0.12 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3ixt s TYR 87 CO 0.02 -0.06 0.69 0.00 -1.11 0.00 0.00 175.55 175.09 3ixt s PHE 89 N -2.50 -0.37 -0.04 0.00 2.19 0.24 -1.72 117.98 115.77 3ixt s PHE 89 Ca 0.45 0.87 0.03 0.00 0.33 0.00 0.00 56.93 58.61 3ixt s PHE 89 Cb -0.10 0.09 -0.03 0.00 -1.31 0.00 0.00 43.02 41.67 3ixt s PHE 89 CO 0.39 -0.25 -0.12 1.14 1.83 0.00 0.00 175.22 178.22 3ixt s GLN 90 N 1.20 2.55 -0.03 10.12 1.03 -0.95 -1.35 119.66 132.23 3ixt s GLN 90 Ca -0.09 -0.68 0.04 0.00 0.04 0.00 0.00 55.36 54.68 3ixt s GLN 90 Cb -0.09 -2.44 0.06 0.00 0.03 0.00 0.00 33.01 30.57 3ixt s GLN 90 CO -0.09 0.63 0.91 0.41 -2.54 0.00 0.00 175.29 174.61 3ixt n GLY 91 N 2.14 1.57 0.25 2.60 0.00 -1.26 -3.33 105.19 107.16 3ixt n GLY 91 Ca -0.17 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.74 3ixt n GLY 91 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ixt h SER 92 N 0.00 0.00 -5.02 1.61 0.02 -1.94 -3.45 113.55 104.76 3ixt h SER 92 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3ixt h SER 92 Cb 0.87 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.24 3ixt h SER 92 CO 0.00 0.02 -0.06 -0.83 -1.14 0.00 0.00 176.83 174.82 3ixt s GLY 93 N -4.20 -0.32 0.06 -3.77 0.00 -1.26 -5.01 107.32 92.82 3ixt s GLY 93 Ca 0.03 0.47 -0.15 0.00 0.00 0.00 0.00 44.72 45.07 3ixt s GLY 93 CO 0.60 0.20 0.49 -0.19 0.00 0.00 0.00 173.10 174.19 3ixt s TYR 94 N -2.21 3.71 0.69 1.90 2.02 -1.26 -3.67 117.35 118.53 3ixt s TYR 94 Ca -0.07 1.07 -0.11 0.00 -0.37 0.00 0.00 57.07 57.59 3ixt s TYR 94 Cb -0.01 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3ixt s TYR 94 CO -0.00 0.57 1.06 -2.14 -1.57 0.00 0.00 175.55 173.46 3ixt s PRO 95 N -1.37 2.94 0.51 -1.71 0.02 -1.26 -4.81 135.00 129.32 3ixt s PRO 95 Ca 0.29 0.95 -0.21 0.00 0.02 0.00 0.00 61.00 62.05 3ixt s PRO 95 Cb -0.17 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 3ixt s PRO 95 CO 0.17 -1.09 1.15 -0.06 -0.33 0.00 0.00 177.00 176.83 3ixt s PHE 96 N -3.05 2.76 0.00 6.54 0.08 -1.24 -4.70 117.98 118.37 3ixt s PHE 96 Ca 0.58 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 59.12 3ixt s PHE 96 Cb -0.14 -3.34 -0.00 0.00 -0.57 0.00 0.00 43.02 38.97 3ixt s PHE 96 CO 0.55 -1.56 0.09 0.95 -0.10 0.00 0.00 175.22 175.14 3ixt s THR 97 N -1.66 0.08 0.31 0.64 -4.23 -1.21 -5.04 115.64 104.53 3ixt s THR 97 Ca 0.69 -0.70 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 3ixt s THR 97 Cb -0.26 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 3ixt s THR 97 CO 0.31 -0.39 0.16 -0.36 -0.54 0.00 0.00 174.62 173.80 3ixt s PHE 98 N -1.30 2.81 0.68 3.99 0.40 -1.26 -2.23 117.98 121.07 3ixt s PHE 98 Ca -0.14 -0.30 -0.10 0.00 -0.60 0.00 0.00 56.93 55.79 3ixt s PHE 98 Cb -0.08 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.91 3ixt s PHE 98 CO 0.01 0.38 1.05 0.20 0.70 0.00 0.00 175.22 177.56 3ixt s GLY 99 N -3.85 1.62 0.54 4.36 0.00 -0.70 -4.51 107.32 104.78 3ixt s GLY 99 Ca 0.37 -0.48 0.26 0.00 0.00 0.00 0.00 44.72 44.87 3ixt s GLY 99 CO 0.23 -0.12 1.99 -1.33 0.00 0.00 0.00 173.10 173.87 3ixt h GLY 100 N -0.56 0.00 0.00 0.20 0.00 -1.91 -3.44 103.07 97.36 3ixt h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ixt h GLY 100 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 3ixt n GLY 101 N -1.61 2.60 2.97 4.60 0.00 -1.26 -5.07 105.19 107.43 3ixt n GLY 101 Ca 0.09 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 3ixt n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixt s THR 102 N -2.20 1.07 -0.30 2.61 2.01 -0.07 -4.58 115.64 114.19 3ixt s THR 102 Ca 0.00 -0.39 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 3ixt s THR 102 Cb 0.00 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 3ixt s THR 102 CO 0.00 0.36 0.32 -0.75 -0.69 0.00 0.00 174.62 173.86 3ixt s LYS 103 N 1.09 3.83 -0.28 4.92 2.20 -0.38 -0.26 119.74 130.84 3ixt s LYS 103 Ca -0.07 -0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.21 3ixt s LYS 103 Cb -0.14 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 3ixt s LYS 103 CO -0.01 -0.35 0.17 0.08 -0.36 0.00 0.00 175.35 174.88 3ixt s VAL 104 N 1.97 5.08 0.07 4.02 1.01 -0.39 -1.16 120.40 131.00 3ixt s VAL 104 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.16 3ixt s VAL 104 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3ixt s VAL 104 CO 0.11 0.22 -0.01 -0.70 0.00 0.00 0.00 175.10 174.72 3ixt s GLU 105 N 1.72 2.57 -0.35 2.72 2.12 0.53 -3.32 118.70 124.69 3ixt s GLU 105 Ca 0.07 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 3ixt s GLU 105 Cb -0.16 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.69 3ixt s GLU 105 CO 0.09 0.56 0.20 0.42 -0.54 0.00 0.00 175.26 175.99 3ixt s ILE 106 N -1.25 4.77 0.00 -3.70 -1.09 -1.26 -1.85 121.20 116.83 3ixt s ILE 106 Ca 0.24 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 3ixt s ILE 106 Cb -0.12 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.16 3ixt s ILE 106 CO 0.16 -0.08 1.67 -0.54 -1.23 0.00 0.00 174.94 174.92 3ixt s LYS 107 N 1.62 4.19 0.43 2.79 1.02 0.74 -4.88 119.74 125.64 3ixt s LYS 107 Ca 0.04 2.27 0.03 0.00 0.02 0.00 0.00 55.97 58.33 3ixt s LYS 107 Cb -0.18 -3.85 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 3ixt s LYS 107 CO 0.07 -0.80 0.10 2.89 -0.92 0.00 0.00 175.35 176.69 3ixt n ARG 108 N 6.54 0.66 -2.38 1.68 1.85 -1.26 -3.93 116.66 119.82 3ixt n ARG 108 Ca 0.17 -3.44 -0.35 0.00 -1.00 0.00 0.00 57.85 53.22 3ixt n ARG 108 Cb 0.42 1.56 -0.02 0.00 -1.05 0.00 0.00 32.46 33.38 3ixt n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3ixt s THR 109 N -2.97 3.41 0.42 8.89 -4.23 -1.26 -4.95 115.64 114.95 3ixt s THR 109 Ca 0.14 0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 61.35 3ixt s THR 109 Cb 0.01 -3.42 -0.11 0.00 1.34 0.00 0.00 72.50 70.33 3ixt s THR 109 CO 0.10 -0.13 0.97 0.52 -0.54 0.00 0.00 174.62 175.54 3ixt n VAL 110 N -0.87 2.41 -3.74 2.29 0.31 -1.26 -4.83 118.33 112.64 3ixt n VAL 110 Ca 0.09 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 3ixt n VAL 110 Cb 0.51 -1.10 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 3ixt n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ixt s ALA 111 N -1.29 -0.53 0.23 3.52 0.00 -0.21 -4.93 121.76 118.54 3ixt s ALA 111 Ca 0.63 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 3ixt s ALA 111 Cb -0.56 -0.59 -0.08 0.00 0.00 0.00 0.00 23.12 21.88 3ixt s ALA 111 CO 0.57 -0.19 0.77 0.00 0.00 0.00 0.00 175.76 176.91 3ixt s ALA 112 N 1.14 3.39 0.24 0.00 0.00 -1.26 -1.50 121.76 123.77 3ixt s ALA 112 Ca -0.08 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 3ixt s ALA 112 Cb -0.10 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 3ixt s ALA 112 CO -0.07 0.30 1.30 -2.14 0.00 0.00 0.00 175.76 175.14 3ixt s PRO 113 N -1.81 4.40 -0.21 0.00 0.02 -1.26 -4.66 135.00 131.48 3ixt s PRO 113 Ca 0.42 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 3ixt s PRO 113 Cb -0.18 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.18 3ixt s PRO 113 CO 0.22 -0.20 1.02 -1.12 -0.33 0.00 0.00 177.00 176.59 3ixt s SER 114 N 0.03 7.10 -0.20 2.53 0.01 -0.90 -4.83 113.70 117.43 3ixt s SER 114 Ca 0.54 1.37 -0.08 0.00 1.31 0.00 0.00 55.95 59.09 3ixt s SER 114 Cb -0.37 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.29 3ixt s SER 114 CO 0.42 -0.63 0.07 -0.69 0.41 0.00 0.00 173.24 172.83 3ixt s VAL 115 N 3.01 4.69 0.18 3.43 1.01 -1.26 -0.83 120.40 130.63 3ixt s VAL 115 Ca 0.44 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.45 3ixt s VAL 115 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3ixt s VAL 115 CO 0.08 0.42 -0.20 -0.36 0.00 0.00 0.00 175.10 175.03 3ixt s PHE 116 N 0.76 2.00 -0.01 5.22 0.40 -0.01 -4.97 117.98 121.38 3ixt s PHE 116 Ca 0.04 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3ixt s PHE 116 Cb -0.13 -0.98 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 3ixt s PHE 116 CO 0.02 0.42 -0.10 -1.50 0.70 0.00 0.00 175.22 174.76 3ixt s ILE 117 N -2.00 0.79 -0.18 0.64 2.07 -1.26 -0.59 121.20 120.67 3ixt s ILE 117 Ca 0.19 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 3ixt s ILE 117 Cb -0.06 -0.67 0.03 0.00 0.13 0.00 0.00 42.46 41.89 3ixt s ILE 117 CO 0.08 0.20 -0.13 -0.36 -1.91 0.00 0.00 174.94 172.83 3ixt s PHE 118 N -0.27 2.37 0.70 3.50 0.40 0.11 -5.00 117.98 119.78 3ixt s PHE 118 Ca 0.04 -1.46 -0.13 0.00 -0.60 0.00 0.00 56.93 54.77 3ixt s PHE 118 Cb -0.04 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.86 3ixt s PHE 118 CO -0.00 -0.72 1.11 -1.25 0.70 0.00 0.00 175.22 175.05 3ixt s PRO 119 N 1.42 2.56 0.53 0.24 0.04 -1.26 -1.49 135.00 137.03 3ixt s PRO 119 Ca 0.02 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 3ixt s PRO 119 Cb -0.15 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3ixt s PRO 119 CO -0.10 -1.43 1.18 -0.35 0.04 0.00 0.00 177.00 176.35 3ixt n PRO 120 N -2.81 1.43 -1.41 0.56 -0.04 -1.23 -4.86 135.00 126.64 3ixt n PRO 120 Ca 0.10 0.53 -0.31 0.00 -0.04 0.00 0.00 63.50 63.78 3ixt n PRO 120 Cb 0.52 -2.36 0.07 0.00 -0.04 0.00 0.00 33.50 31.70 3ixt n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ixt s SER 121 N -0.94 4.93 0.36 3.54 1.04 -1.26 -4.93 113.70 116.44 3ixt s SER 121 Ca 0.70 1.73 0.16 0.00 0.48 0.00 0.00 55.95 59.02 3ixt s SER 121 Cb -0.45 -2.51 0.68 0.00 0.10 0.00 0.00 66.02 63.84 3ixt s SER 121 CO 0.51 -1.75 1.75 0.44 0.98 0.00 0.00 173.24 175.17 3ixt h ASP 122 N -0.92 0.00 -0.15 7.02 3.32 -1.99 -2.49 116.42 121.21 3ixt h ASP 122 Ca -0.44 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 3ixt h ASP 122 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3ixt h ASP 122 CO 0.54 0.41 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.84 3ixt h GLU 123 N 0.00 0.63 -0.03 3.56 5.08 -2.00 -3.04 114.58 118.78 3ixt h GLU 123 Ca -0.00 -0.28 -0.22 0.00 -1.00 0.00 0.00 59.36 57.86 3ixt h GLU 123 Cb 0.84 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.09 3ixt h GLU 123 CO 0.05 0.86 -0.84 0.37 -1.00 0.00 0.00 179.01 178.46 3ixt h GLN 124 N 0.54 0.62 0.00 2.33 4.15 -1.84 -3.18 115.11 117.73 3ixt h GLN 124 Ca 0.07 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 58.86 3ixt h GLN 124 Cb 0.79 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3ixt h GLN 124 CO 0.06 1.23 0.00 -0.07 -1.93 0.00 0.00 178.83 178.13 3ixt h LEU 125 N 0.25 0.00 0.00 -2.39 3.38 -1.43 0.49 115.31 115.61 3ixt h LEU 125 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3ixt h LEU 125 Cb 1.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3ixt h LEU 125 CO 0.17 0.00 -0.92 0.11 0.09 0.00 0.00 178.44 177.89 3ixt h LYS 126 N 0.00 0.00 0.00 1.13 1.57 -1.51 -3.26 116.57 114.50 3ixt h LYS 126 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ixt h LYS 126 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ixt h LYS 126 CO 0.00 0.52 0.00 0.66 -0.57 0.00 0.00 179.45 180.06 3ixt h SER 127 N 0.00 0.00 0.00 0.86 4.64 -0.97 -3.47 113.55 114.61 3ixt h SER 127 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3ixt h SER 127 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3ixt h SER 127 CO 0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3ixt n GLY 128 N 1.10 1.22 3.08 -0.77 0.00 -1.12 -5.09 105.19 103.61 3ixt n GLY 128 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3ixt n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixt s THR 129 N -2.00 0.64 -0.19 2.61 2.01 -1.23 -2.31 115.64 115.18 3ixt s THR 129 Ca 0.00 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.93 3ixt s THR 129 Cb 0.00 -0.68 0.04 0.00 0.01 0.00 0.00 72.50 71.87 3ixt s THR 129 CO 0.00 -0.32 -0.09 0.00 -0.69 0.00 0.00 174.62 173.52 3ixt s ALA 130 N -1.28 1.83 -0.27 7.40 0.00 0.77 -3.60 121.76 126.60 3ixt s ALA 130 Ca -0.08 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 3ixt s ALA 130 Cb -0.10 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3ixt s ALA 130 CO 0.01 -0.81 0.03 -1.12 0.00 0.00 0.00 175.76 173.87 3ixt s SER 131 N 1.48 4.82 -0.18 0.00 0.01 -1.26 -0.54 113.70 118.03 3ixt s SER 131 Ca -0.01 -0.72 -0.14 0.00 1.31 0.00 0.00 55.95 56.40 3ixt s SER 131 Cb -0.16 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 3ixt s SER 131 CO -0.08 -0.15 0.29 -0.69 0.41 0.00 0.00 173.24 173.02 3ixt s VAL 132 N 1.45 5.30 -0.13 3.43 1.01 0.81 -3.56 120.40 128.71 3ixt s VAL 132 Ca 0.02 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 3ixt s VAL 132 Cb -0.17 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3ixt s VAL 132 CO -0.00 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 174.64 3ixt s VAL 133 N 0.67 2.99 -0.14 2.92 1.01 -0.56 -0.29 120.40 127.00 3ixt s VAL 133 Ca 0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3ixt s VAL 133 Cb -0.13 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3ixt s VAL 133 CO 0.04 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 3ixt s LEU 135 N 0.20 2.09 -0.25 0.00 2.96 0.24 -0.63 118.68 123.29 3ixt s LEU 135 Ca -0.04 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3ixt s LEU 135 Cb -0.14 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 3ixt s LEU 135 CO 0.03 0.11 0.00 -0.76 -1.32 0.00 0.00 176.35 174.42 3ixt s LEU 136 N 0.61 3.26 -0.13 -0.68 1.43 0.25 -0.83 118.68 122.59 3ixt s LEU 136 Ca -0.12 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 3ixt s LEU 136 Cb -0.17 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3ixt s LEU 136 CO 0.03 -0.08 -0.04 0.21 0.23 0.00 0.00 176.35 176.70 3ixt s ASN 137 N 1.48 4.83 -0.87 2.29 2.47 -0.01 -0.94 114.94 124.18 3ixt s ASN 137 Ca 0.04 -0.08 -0.05 0.00 0.42 0.00 0.00 52.86 53.19 3ixt s ASN 137 Cb -0.15 -1.66 -0.01 0.00 -1.45 0.00 0.00 41.25 37.98 3ixt s ASN 137 CO -0.01 0.22 0.72 0.59 -3.72 0.00 0.00 177.10 174.90 3ixt n ASN 138 N 3.18 -6.50 -4.47 -4.21 3.02 -1.11 -2.11 115.26 103.06 3ixt n ASN 138 Ca -0.18 -0.54 -0.24 0.00 -0.03 0.00 0.00 54.58 53.59 3ixt n ASN 138 Cb 0.53 -4.06 -0.10 0.00 -0.61 0.00 0.00 39.78 35.53 3ixt n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3ixt s PHE 139 N -3.13 2.06 -0.23 3.10 -0.12 -0.33 -4.54 117.98 114.78 3ixt s PHE 139 Ca 0.15 -0.93 -0.27 0.00 -0.05 0.00 0.00 56.93 55.83 3ixt s PHE 139 Cb -0.04 -1.40 0.13 0.00 -0.63 0.00 0.00 43.02 41.08 3ixt s PHE 139 CO 0.81 0.09 1.05 -0.47 -0.05 0.00 0.00 175.22 176.65 3ixt s TYR 140 N -3.14 -0.39 0.79 3.49 6.14 -0.56 -0.70 117.35 122.97 3ixt s TYR 140 Ca 0.33 0.84 -0.13 0.00 0.64 0.00 0.00 57.07 58.76 3ixt s TYR 140 Cb 0.08 0.41 0.20 0.00 0.42 0.00 0.00 41.96 43.07 3ixt s TYR 140 CO 0.15 -0.26 0.65 -0.35 0.64 0.00 0.00 175.55 176.38 3ixt n PRO 141 N 1.51 -2.61 0.19 4.97 -0.04 -1.26 -1.05 135.00 136.72 3ixt n PRO 141 Ca -0.11 -1.04 0.06 0.00 -0.04 0.00 0.00 63.50 62.37 3ixt n PRO 141 Cb 0.57 -1.04 0.36 0.00 -0.04 0.00 0.00 33.50 33.35 3ixt n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3ixt h ARG 142 N 0.00 0.00 -6.75 0.54 2.43 -1.99 -3.45 114.38 105.17 3ixt h ARG 142 Ca -0.25 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.39 3ixt h ARG 142 Cb 0.78 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.40 3ixt h ARG 142 CO 0.16 0.35 0.90 -1.21 -1.51 0.00 0.00 179.97 178.66 3ixt s GLU 143 N -3.64 4.15 -0.29 0.20 2.02 -1.26 -4.99 118.70 114.89 3ixt s GLU 143 Ca -0.00 2.53 -0.16 0.00 0.02 0.00 0.00 54.97 57.36 3ixt s GLU 143 Cb 0.11 -3.05 0.12 0.00 0.10 0.00 0.00 34.13 31.41 3ixt s GLU 143 CO 0.68 -0.63 0.87 0.00 0.02 0.00 0.00 175.26 176.20 3ixt s ALA 144 N 0.32 -2.12 -0.20 5.21 0.00 -1.26 -4.61 121.76 119.10 3ixt s ALA 144 Ca 0.66 2.27 -0.07 0.00 0.00 0.00 0.00 51.96 54.82 3ixt s ALA 144 Cb -0.47 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 3ixt s ALA 144 CO 0.43 -0.36 0.04 0.21 0.00 0.00 0.00 175.76 176.09 3ixt s LYS 145 N 1.40 3.78 -0.16 0.00 2.20 -0.49 -4.99 119.74 121.48 3ixt s LYS 145 Ca -0.09 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 3ixt s LYS 145 Cb -0.04 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 3ixt s LYS 145 CO -0.16 0.09 -0.10 0.54 -0.36 0.00 0.00 175.35 175.35 3ixt s VAL 146 N 0.86 1.41 -0.10 4.02 0.11 -1.26 -0.09 120.40 125.35 3ixt s VAL 146 Ca 0.03 -0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 3ixt s VAL 146 Cb -0.14 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 3ixt s VAL 146 CO 0.02 0.30 -0.03 -1.10 -3.33 0.00 0.00 175.10 170.97 3ixt s GLN 147 N 1.53 3.12 0.06 1.54 -0.21 -0.14 -4.95 119.66 120.61 3ixt s GLN 147 Ca 0.03 -0.48 -0.14 0.00 0.02 0.00 0.00 55.36 54.78 3ixt s GLN 147 Cb -0.14 -2.77 -0.06 0.00 1.00 0.00 0.00 33.01 31.03 3ixt s GLN 147 CO -0.09 0.56 0.47 -1.58 -2.12 0.00 0.00 175.29 172.53 3ixt s TRP 148 N -0.51 3.69 -0.08 0.91 0.52 -1.26 -1.04 118.94 121.17 3ixt s TRP 148 Ca 0.08 1.02 -0.01 0.00 0.02 0.00 0.00 56.10 57.21 3ixt s TRP 148 Cb -0.12 -2.32 0.03 0.00 -1.15 0.00 0.00 33.47 29.91 3ixt s TRP 148 CO 0.02 0.56 -0.02 0.15 0.02 0.00 0.00 176.95 177.68 3ixt s LYS 149 N -1.44 0.90 -0.34 4.98 1.02 -0.22 -1.08 119.74 123.55 3ixt s LYS 149 Ca 0.30 -0.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.22 3ixt s LYS 149 Cb -0.16 -1.14 0.05 0.00 -0.52 0.00 0.00 37.83 36.05 3ixt s LYS 149 CO 0.17 -0.28 0.10 0.08 -0.92 0.00 0.00 175.35 174.50 3ixt s VAL 150 N 1.82 3.62 -1.36 3.17 1.01 -0.79 -0.69 120.40 127.17 3ixt s VAL 150 Ca 0.04 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 3ixt s VAL 150 Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3ixt s VAL 150 CO -0.06 -0.21 0.99 0.47 0.00 0.00 0.00 175.10 176.30 3ixt n ASP 151 N 4.77 -3.99 -0.71 3.32 8.00 -0.49 -1.88 116.55 125.57 3ixt n ASP 151 Ca -0.12 -0.68 -0.09 0.00 0.71 0.00 0.00 54.79 54.61 3ixt n ASP 151 Cb 0.44 -4.54 -0.04 0.00 -0.02 0.00 0.00 41.12 36.96 3ixt n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ixt n ASN 152 N -3.00 -4.68 -4.34 -2.24 3.02 -1.26 -4.98 115.26 97.77 3ixt n ASN 152 Ca -0.11 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 3ixt n ASN 152 Cb 0.60 -2.99 -0.12 0.00 -0.61 0.00 0.00 39.78 36.65 3ixt n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ixt s ALA 153 N -2.15 3.12 0.27 5.41 0.00 -0.79 -5.07 121.76 122.55 3ixt s ALA 153 Ca 0.00 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.09 3ixt s ALA 153 Cb 0.00 -2.28 -0.13 0.00 0.00 0.00 0.00 23.12 20.72 3ixt s ALA 153 CO 0.00 -1.10 1.49 -0.11 0.00 0.00 0.00 175.76 176.04 3ixt n LEU 154 N 4.89 3.68 -4.94 0.00 7.94 -1.26 -1.88 117.00 125.43 3ixt n LEU 154 Ca -0.13 1.15 -0.25 0.00 -1.11 0.00 0.00 56.01 55.66 3ixt n LEU 154 Cb 0.47 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 3ixt n LEU 154 CO 0.33 -0.20 0.07 -1.10 -1.11 0.00 0.00 177.39 175.38 3ixt s GLN 155 N -0.48 3.51 -0.11 1.96 -1.52 -0.24 -4.93 119.66 117.84 3ixt s GLN 155 Ca 0.66 -0.37 -0.14 0.00 -1.95 0.00 0.00 55.36 53.55 3ixt s GLN 155 Cb -0.58 -2.78 0.04 0.00 -0.22 0.00 0.00 33.01 29.47 3ixt s GLN 155 CO 0.49 0.32 0.38 -1.12 -0.25 0.00 0.00 175.29 175.11 3ixt s SER 156 N -3.55 -0.36 0.00 5.90 0.01 -1.26 -4.70 113.70 109.74 3ixt s SER 156 Ca 0.39 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.27 3ixt s SER 156 Cb -0.10 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.80 3ixt s SER 156 CO 0.31 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3ixt n GLY 157 N 2.44 0.28 0.51 3.44 0.00 -1.26 -4.81 105.19 105.79 3ixt n GLY 157 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3ixt n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ixt n ASN 158 N -0.40 1.74 -4.05 1.61 0.23 -1.26 -5.05 115.26 108.08 3ixt n ASN 158 Ca 0.00 -3.32 -0.07 0.00 -0.53 0.00 0.00 54.58 50.65 3ixt n ASN 158 Cb 0.20 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.35 3ixt n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3ixt s SER 159 N -2.85 0.41 0.03 0.53 1.04 -1.26 -2.08 113.70 109.53 3ixt s SER 159 Ca 0.33 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.88 3ixt s SER 159 Cb 0.32 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3ixt s SER 159 CO -0.04 -0.58 -0.06 -1.10 0.98 0.00 0.00 173.24 172.44 3ixt s GLN 160 N -3.63 0.45 -0.02 4.02 -0.21 -0.58 -4.95 119.66 114.74 3ixt s GLN 160 Ca 0.04 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 54.77 3ixt s GLN 160 Cb 0.06 -0.13 -0.01 0.00 1.00 0.00 0.00 33.01 33.92 3ixt s GLN 160 CO -0.09 0.01 -0.21 -1.21 -2.12 0.00 0.00 175.29 171.67 3ixt s GLU 161 N -1.59 1.79 -0.10 2.91 2.02 -1.26 -0.48 118.70 121.99 3ixt s GLU 161 Ca -0.12 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3ixt s GLU 161 Cb -0.10 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.47 3ixt s GLU 161 CO -0.00 0.42 -0.08 0.45 0.02 0.00 0.00 175.26 176.07 3ixt s SER 162 N -0.40 2.03 -0.09 -0.19 0.15 -0.40 -4.97 113.70 109.83 3ixt s SER 162 Ca 0.06 -0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 3ixt s SER 162 Cb -0.09 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 3ixt s SER 162 CO -0.00 -0.09 0.01 0.54 1.20 0.00 0.00 173.24 174.90 3ixt s VAL 163 N 1.48 4.40 0.75 4.45 0.11 -1.26 -1.31 120.40 129.01 3ixt s VAL 163 Ca 0.00 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.74 3ixt s VAL 163 Cb -0.13 -2.86 0.04 0.00 -1.53 0.00 0.00 36.38 31.90 3ixt s VAL 163 CO -0.05 0.61 1.08 -0.89 -3.33 0.00 0.00 175.10 172.51 3ixt s THR 164 N -0.88 3.55 0.37 5.04 2.01 0.11 -4.98 115.64 120.85 3ixt s THR 164 Ca 0.13 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.39 3ixt s THR 164 Cb -0.11 -3.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 3ixt s THR 164 CO 0.02 -0.66 0.99 -1.61 -0.69 0.00 0.00 174.62 172.67 3ixt s GLU 165 N -4.95 4.37 0.20 4.92 0.41 -1.26 -4.62 118.70 117.77 3ixt s GLU 165 Ca 0.60 1.38 -0.31 0.00 -0.41 0.00 0.00 54.97 56.24 3ixt s GLU 165 Cb -0.16 -2.62 -0.16 0.00 -1.78 0.00 0.00 34.13 29.41 3ixt s GLU 165 CO 0.56 0.07 0.91 0.94 -0.49 0.00 0.00 175.26 177.25 3ixt n GLN 166 N 0.16 0.75 -2.16 1.61 7.27 -1.26 -4.86 117.38 118.90 3ixt n GLN 166 Ca 0.04 0.27 -0.41 0.00 0.07 0.00 0.00 57.00 56.96 3ixt n GLN 166 Cb 0.50 -1.57 -0.03 0.00 2.41 0.00 0.00 30.24 31.55 3ixt n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3ixt s ASP 167 N -0.47 6.83 0.00 1.69 2.15 -0.26 -4.91 116.67 121.69 3ixt s ASP 167 Ca 0.68 2.57 0.24 0.00 0.43 0.00 0.00 52.55 56.47 3ixt s ASP 167 Cb -0.87 -2.63 1.19 0.00 -0.30 0.00 0.00 42.92 40.31 3ixt s ASP 167 CO 0.56 -0.53 1.80 -1.20 -0.17 0.00 0.00 175.17 175.63 3ixt n SER 168 N 1.59 0.71 -0.00 -0.34 7.64 -1.26 -2.09 113.62 119.86 3ixt n SER 168 Ca 0.03 -1.41 -0.04 0.00 1.01 0.00 0.00 58.87 58.46 3ixt n SER 168 Cb 0.42 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 3ixt n SER 168 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ixt n LYS 169 N -0.37 0.10 0.00 1.43 5.02 -1.26 -2.43 118.16 120.65 3ixt n LYS 169 Ca 0.18 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 3ixt n LYS 169 Cb 0.20 -0.66 0.03 0.00 -0.02 0.00 0.00 35.03 34.58 3ixt n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3ixt n ASP 170 N -3.40 1.94 -0.91 4.39 5.68 -1.26 -4.83 116.55 118.16 3ixt n ASP 170 Ca -0.06 -1.47 -0.11 0.00 -0.50 0.00 0.00 54.79 52.65 3ixt n ASP 170 Cb 0.37 0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 40.55 3ixt n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3ixt n SER 171 N 0.36 -4.08 -4.94 -1.12 7.64 -0.89 -4.96 113.62 105.63 3ixt n SER 171 Ca 0.08 0.19 -0.20 0.00 1.01 0.00 0.00 58.87 59.95 3ixt n SER 171 Cb 0.36 -2.71 -0.02 0.00 -1.01 0.00 0.00 64.21 60.83 3ixt n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ixt s THR 172 N -2.43 4.23 0.22 0.44 -4.23 -1.26 -4.57 115.64 108.05 3ixt s THR 172 Ca 0.00 -1.12 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 3ixt s THR 172 Cb 0.00 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3ixt s THR 172 CO 0.00 -0.22 0.05 -0.31 -0.54 0.00 0.00 174.62 173.60 3ixt s TYR 173 N -2.16 2.86 0.01 3.99 2.02 0.12 -1.11 117.35 123.08 3ixt s TYR 173 Ca 0.41 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 3ixt s TYR 173 Cb -0.08 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 3ixt s TYR 173 CO 0.29 0.56 -0.08 -1.12 -1.57 0.00 0.00 175.55 173.63 3ixt s SER 174 N -3.42 0.94 0.08 2.29 0.01 -1.26 -1.19 113.70 111.14 3ixt s SER 174 Ca 0.30 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.40 3ixt s SER 174 Cb -0.08 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 3ixt s SER 174 CO 0.21 0.05 -0.15 -0.22 0.41 0.00 0.00 173.24 173.53 3ixt s LEU 175 N -0.45 2.28 -0.02 2.44 0.20 -0.12 0.05 118.68 123.06 3ixt s LEU 175 Ca 0.01 -0.62 0.05 0.00 0.69 0.00 0.00 54.13 54.26 3ixt s LEU 175 Cb -0.04 -0.59 -0.01 0.00 -0.43 0.00 0.00 46.19 45.12 3ixt s LEU 175 CO -0.00 -0.05 -0.17 -0.94 -0.29 0.00 0.00 176.35 174.91 3ixt s SER 176 N -1.75 1.96 -0.18 3.68 1.04 -0.43 -0.58 113.70 117.44 3ixt s SER 176 Ca -0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3ixt s SER 176 Cb -0.10 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.79 3ixt s SER 176 CO 0.03 0.19 -0.10 -0.55 0.98 0.00 0.00 173.24 173.79 3ixt s SER 177 N -0.32 3.07 -0.30 7.02 0.15 0.20 -1.27 113.70 122.26 3ixt s SER 177 Ca 0.05 -0.73 -0.08 0.00 0.70 0.00 0.00 55.95 55.89 3ixt s SER 177 Cb -0.07 -1.14 -0.00 0.00 -1.71 0.00 0.00 66.02 63.09 3ixt s SER 177 CO -0.00 -0.13 0.11 -0.89 1.20 0.00 0.00 173.24 173.53 3ixt s THR 178 N 1.48 4.32 -0.26 6.45 2.01 0.37 -0.82 115.64 129.20 3ixt s THR 178 Ca 0.01 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 3ixt s THR 178 Cb -0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3ixt s THR 178 CO -0.09 0.11 0.53 -0.22 -0.69 0.00 0.00 174.62 174.26 3ixt s LEU 179 N 1.57 4.05 -0.21 4.42 2.96 0.60 -1.53 118.68 130.54 3ixt s LEU 179 Ca 0.04 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3ixt s LEU 179 Cb -0.17 -2.69 0.00 0.00 0.50 0.00 0.00 46.19 43.83 3ixt s LEU 179 CO 0.04 -0.30 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.81 3ixt s THR 180 N 2.34 3.04 0.30 3.68 2.01 -0.88 -0.14 115.64 125.99 3ixt s THR 180 Ca 0.22 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.66 3ixt s THR 180 Cb -0.16 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 3ixt s THR 180 CO 0.09 0.42 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.59 3ixt s LEU 181 N 1.42 2.58 0.44 4.42 1.43 0.30 -4.89 118.68 124.38 3ixt s LEU 181 Ca 0.05 -1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 51.76 3ixt s LEU 181 Cb -0.14 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.18 3ixt s LEU 181 CO -0.05 -0.25 1.04 -0.94 0.23 0.00 0.00 176.35 176.38 3ixt s SER 182 N -3.50 6.60 0.31 2.29 1.04 -1.26 -0.16 113.70 119.02 3ixt s SER 182 Ca 0.30 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.79 3ixt s SER 182 Cb 0.02 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.45 3ixt s SER 182 CO 0.13 -0.60 1.66 0.50 0.98 0.00 0.00 173.24 175.91 3ixt h LYS 183 N 2.09 0.29 0.46 4.02 3.64 -1.73 -1.01 116.57 124.32 3ixt h LYS 183 Ca -0.49 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3ixt h LYS 183 Cb 1.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ixt h LYS 183 CO 0.61 0.19 -0.30 0.00 -2.27 0.00 0.00 179.45 177.67 3ixt h ALA 184 N 1.80 -0.74 -0.62 5.00 0.00 -1.92 -1.56 119.26 121.23 3ixt h ALA 184 Ca 0.63 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.43 3ixt h ALA 184 Cb 1.35 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3ixt h ALA 184 CO -0.62 -0.93 0.41 -0.44 0.00 0.00 0.00 179.25 177.67 3ixt h ASP 185 N -0.74 0.66 0.26 0.00 3.32 -1.71 -2.93 116.42 115.29 3ixt h ASP 185 Ca -0.05 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ixt h ASP 185 Cb 0.61 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ixt h ASP 185 CO 0.03 0.46 -0.13 0.22 -1.72 0.00 0.00 179.24 178.11 3ixt h TYR 186 N 0.77 -0.33 0.00 4.55 3.20 -0.77 -2.27 116.97 122.13 3ixt h TYR 186 Ca 0.24 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3ixt h TYR 186 Cb 0.01 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3ixt h TYR 186 CO -0.00 -0.14 0.00 0.39 -1.64 0.00 0.00 178.16 176.77 3ixt n GLU 187 N -5.21 0.51 0.03 1.82 1.02 -0.63 -1.95 120.64 116.24 3ixt n GLU 187 Ca -0.10 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.19 3ixt n GLU 187 Cb 0.19 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.51 3ixt n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3ixt n LYS 188 N -1.03 0.10 -4.35 3.49 4.81 -0.85 -4.91 118.16 115.43 3ixt n LYS 188 Ca 0.12 0.06 -0.18 0.00 -0.87 0.00 0.00 58.31 57.44 3ixt n LYS 188 Cb 0.07 -1.59 -0.10 0.00 0.02 0.00 0.00 35.03 33.42 3ixt n LYS 188 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3ixt s HIS 189 N -3.05 1.64 -0.00 5.64 3.76 -0.82 -5.11 115.29 117.35 3ixt s HIS 189 Ca 0.11 -0.76 -0.00 0.00 -0.15 0.00 0.00 55.06 54.26 3ixt s HIS 189 Cb 0.16 -0.89 -0.00 0.00 1.11 0.00 0.00 32.58 32.96 3ixt s HIS 189 CO 0.62 0.15 -0.00 1.17 -0.85 0.00 0.00 174.74 175.83 3ixt n LYS 190 N -0.42 0.01 -3.47 1.40 4.81 -1.26 -4.72 118.16 114.51 3ixt n LYS 190 Ca -0.07 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.00 3ixt n LYS 190 Cb 0.62 -0.43 -0.06 0.00 0.02 0.00 0.00 35.03 35.18 3ixt n LYS 190 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3ixt s VAL 191 N -1.02 5.20 -0.18 3.15 -7.23 -1.26 -0.27 120.40 118.79 3ixt s VAL 191 Ca -0.00 0.75 0.01 0.00 -1.81 0.00 0.00 61.98 60.93 3ixt s VAL 191 Cb 0.00 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 33.25 3ixt s VAL 191 CO 0.00 0.43 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.72 3ixt s TYR 192 N 0.03 2.78 0.03 2.82 2.02 -0.52 -1.40 117.35 123.11 3ixt s TYR 192 Ca 0.22 -1.56 0.06 0.00 -0.37 0.00 0.00 57.07 55.41 3ixt s TYR 192 Cb -0.15 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 3ixt s TYR 192 CO 0.09 -0.77 -0.17 0.00 -1.57 0.00 0.00 175.55 173.13 3ixt s ALA 193 N 1.24 1.42 -0.24 3.71 0.00 0.13 -1.57 121.76 126.45 3ixt s ALA 193 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3ixt s ALA 193 Cb -0.13 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.76 3ixt s ALA 193 CO -0.11 0.30 -0.13 0.00 0.00 0.00 0.00 175.76 175.83 3ixt s GLU 195 N 1.18 3.78 -0.13 0.00 2.12 -0.21 -1.98 118.70 123.46 3ixt s GLU 195 Ca -0.04 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 3ixt s GLU 195 Cb -0.18 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 3ixt s GLU 195 CO -0.07 -0.19 -0.02 0.08 -0.54 0.00 0.00 175.26 174.52 3ixt s VAL 196 N 1.68 4.05 -0.16 3.70 1.01 0.38 -0.97 120.40 130.09 3ixt s VAL 196 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3ixt s VAL 196 Cb -0.15 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3ixt s VAL 196 CO 0.07 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 3ixt s THR 197 N -0.08 1.66 0.08 3.92 2.01 0.87 -1.93 115.64 122.18 3ixt s THR 197 Ca 0.03 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 3ixt s THR 197 Cb -0.13 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3ixt s THR 197 CO 0.02 0.47 0.15 -2.28 -0.69 0.00 0.00 174.62 172.29 3ixt s HIS 198 N 1.45 0.21 0.42 4.92 2.46 -1.26 -1.40 115.29 122.09 3ixt s HIS 198 Ca 0.05 -0.65 0.10 0.00 0.47 0.00 0.00 55.06 55.03 3ixt s HIS 198 Cb -0.13 -0.12 0.90 0.00 -0.13 0.00 0.00 32.58 33.10 3ixt s HIS 198 CO -0.11 -0.50 2.01 0.37 -2.47 0.00 0.00 174.74 174.04 3ixt h GLN 199 N 2.90 0.29 0.00 2.88 4.15 -1.90 -0.72 115.11 122.71 3ixt h GLN 199 Ca -0.34 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3ixt h GLN 199 Cb 1.19 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3ixt h GLN 199 CO 0.57 0.30 0.00 0.41 -1.93 0.00 0.00 178.83 178.18 3ixt n GLY 200 N -1.19 -0.98 3.48 2.39 0.00 -1.26 -4.71 105.19 102.91 3ixt n GLY 200 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3ixt n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixt s LEU 201 N -2.04 3.43 0.33 0.99 1.43 -0.28 -4.50 118.68 118.05 3ixt s LEU 201 Ca 0.45 -0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.49 3ixt s LEU 201 Cb 0.21 -1.89 0.58 0.00 0.03 0.00 0.00 46.19 45.13 3ixt s LEU 201 CO 0.36 0.04 1.76 0.77 0.23 0.00 0.00 176.35 179.51 3ixt h SER 202 N 7.66 0.09 -4.27 2.29 4.64 -1.84 -3.44 113.55 118.69 3ixt h SER 202 Ca -0.37 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 60.78 3ixt h SER 202 Cb 1.18 -0.03 -0.23 0.00 -0.31 0.00 0.00 62.40 63.01 3ixt h SER 202 CO 0.61 0.49 -0.30 -0.94 -0.87 0.00 0.00 176.83 175.82 3ixt s SER 203 N -6.90 -0.29 -0.22 4.97 1.04 -1.26 -5.12 113.70 105.91 3ixt s SER 203 Ca -0.03 0.46 -0.39 0.00 0.48 0.00 0.00 55.95 56.47 3ixt s SER 203 Cb 0.14 0.55 -0.16 0.00 0.10 0.00 0.00 66.02 66.66 3ixt s SER 203 CO 0.75 -0.24 1.69 -2.65 0.98 0.00 0.00 173.24 173.77 3ixt n PRO 204 N 2.30 1.19 -3.16 4.02 -0.02 -1.26 -4.95 135.00 133.12 3ixt n PRO 204 Ca -0.16 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 3ixt n PRO 204 Cb 0.57 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 3ixt n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ixt s VAL 205 N 3.12 4.76 -0.18 -1.45 1.01 -0.81 -4.86 120.40 122.00 3ixt s VAL 205 Ca 0.96 1.36 0.00 0.00 0.00 0.00 0.00 61.98 64.30 3ixt s VAL 205 Cb -1.04 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 31.40 3ixt s VAL 205 CO 0.62 0.46 -0.11 -0.89 0.00 0.00 0.00 175.10 175.19 3ixt s THR 206 N -0.54 1.52 -0.11 3.92 2.01 -1.26 -0.47 115.64 120.71 3ixt s THR 206 Ca 0.32 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 3ixt s THR 206 Cb -0.20 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3ixt s THR 206 CO 0.20 0.26 0.06 -0.54 -0.69 0.00 0.00 174.62 173.90 3ixt s LYS 207 N 1.47 3.25 0.36 4.92 -0.14 -0.84 -4.94 119.74 123.82 3ixt s LYS 207 Ca 0.01 -0.30 -0.05 0.00 -1.36 0.00 0.00 55.97 54.27 3ixt s LYS 207 Cb -0.15 -2.98 0.01 0.00 -1.68 0.00 0.00 37.83 33.04 3ixt s LYS 207 CO -0.09 0.68 0.55 -1.54 -0.76 0.00 0.00 175.35 174.19 3ixt s SER 208 N -0.80 0.74 -0.08 2.83 1.04 -1.26 -0.00 113.70 116.17 3ixt s SER 208 Ca 0.13 -1.42 -0.31 0.00 0.48 0.00 0.00 55.95 54.83 3ixt s SER 208 Cb -0.12 0.71 0.08 0.00 0.10 0.00 0.00 66.02 66.80 3ixt s SER 208 CO 0.03 -1.39 0.76 0.72 0.98 0.00 0.00 173.24 174.33 3ixt s PHE 209 N -2.87 -0.59 -0.17 5.02 -0.71 -0.61 -5.00 117.98 113.06 3ixt s PHE 209 Ca 0.27 1.01 -0.17 0.00 -1.04 0.00 0.00 56.93 57.01 3ixt s PHE 209 Cb -0.02 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 3ixt s PHE 209 CO 0.19 -0.55 0.43 -0.80 -1.34 0.00 0.00 175.22 173.15 3ixt s ASN 210 N -1.17 6.54 -0.33 1.98 0.01 -1.26 -1.43 114.94 119.28 3ixt s ASN 210 Ca -0.09 0.64 -0.37 0.00 -0.71 0.00 0.00 52.86 52.34 3ixt s ASN 210 Cb -0.00 -2.25 -0.13 0.00 0.41 0.00 0.00 41.25 39.28 3ixt s ASN 210 CO 0.08 -0.04 2.07 -1.14 -1.51 0.00 0.00 177.10 176.56 3ixt n ARG 211 N 4.13 1.07 -0.94 -0.60 0.63 0.63 -5.00 116.66 116.58 3ixt n ARG 211 Ca -0.08 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 3ixt n ARG 211 Cb 0.51 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.11 3ixt n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53