#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7h s LYS 2 N 0.00 4.33 -0.04 -1.46 2.20 -1.26 -4.96 119.74 118.55 1h7h s LYS 2 Ca 0.00 0.89 0.07 0.00 -0.36 0.00 0.00 55.97 56.56 1h7h s LYS 2 Cb 0.00 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1h7h s LYS 2 CO 0.00 -0.17 -0.24 0.00 -0.36 0.00 0.00 175.35 174.58 1h7h s ALA 3 N 1.61 2.23 0.08 3.13 0.00 -1.26 -0.45 121.76 127.11 1h7h s ALA 3 Ca 0.36 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1h7h s ALA 3 Cb -0.17 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1h7h s ALA 3 CO 0.14 0.49 -0.14 0.14 0.00 0.00 0.00 175.76 176.39 1h7h s VAL 4 N -0.46 1.14 -0.17 0.00 -7.23 -0.74 -0.88 120.40 112.07 1h7h s VAL 4 Ca 0.05 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1h7h s VAL 4 Cb -0.11 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1h7h s VAL 4 CO 0.01 -0.27 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.90 1h7h s ILE 5 N -1.47 4.23 -0.10 -0.62 1.01 -0.13 -1.09 121.20 123.04 1h7h s ILE 5 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1h7h s ILE 5 Cb -0.09 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 1h7h s ILE 5 CO 0.02 0.48 -0.23 -0.69 0.00 0.00 0.00 174.94 174.52 1h7h s VAL 6 N 0.36 2.11 -0.38 2.92 1.01 0.21 -0.66 120.40 125.97 1h7h s VAL 6 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1h7h s VAL 6 Cb -0.13 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.54 1h7h s VAL 6 CO 0.02 0.56 0.13 -0.63 0.00 0.00 0.00 175.10 175.18 1h7h s ILE 7 N 0.32 2.92 0.07 2.22 1.01 0.59 -1.70 121.20 126.63 1h7h s ILE 7 Ca -0.18 -2.09 -0.31 0.00 0.00 0.00 0.00 60.65 58.07 1h7h s ILE 7 Cb -0.18 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1h7h s ILE 7 CO 0.09 -0.61 1.33 -2.84 0.00 0.00 0.00 174.94 172.91 1h7h s PRO 8 N 1.07 4.35 -0.43 2.79 0.02 -1.24 -1.08 135.00 140.48 1h7h s PRO 8 Ca 0.08 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.10 1h7h s PRO 8 Cb -0.21 -3.35 0.17 0.00 0.02 0.00 0.00 34.50 31.13 1h7h s PRO 8 CO -0.05 -0.41 0.46 0.00 -0.33 0.00 0.00 177.00 176.66 1h7h s ALA 9 N 1.38 -0.21 0.54 -1.55 0.00 -0.01 -3.26 121.76 118.65 1h7h s ALA 9 Ca 0.62 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 1h7h s ALA 9 Cb -0.33 -2.07 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 1h7h s ALA 9 CO 0.29 -2.11 1.02 -0.98 0.00 0.00 0.00 175.76 173.98 1h7h s ARG 10 N 0.78 3.66 0.06 0.00 1.70 -1.26 -4.33 118.95 119.55 1h7h s ARG 10 Ca 0.26 1.11 -0.19 0.00 -0.47 0.00 0.00 55.73 56.44 1h7h s ARG 10 Cb -0.04 -2.09 -0.12 0.00 -0.57 0.00 0.00 34.95 32.13 1h7h s ARG 10 CO -0.09 -0.52 1.41 -0.92 -1.08 0.00 0.00 175.30 174.09 1h7h h TYR 11 N 0.80 0.46 -4.28 5.89 3.20 -1.94 -3.42 116.97 117.68 1h7h h TYR 11 Ca -0.47 -0.12 -0.52 0.00 3.14 0.00 0.00 58.73 60.76 1h7h h TYR 11 Cb 1.20 -0.11 0.15 0.00 1.54 0.00 0.00 36.73 39.52 1h7h h TYR 11 CO 0.61 0.71 0.30 0.20 -1.64 0.00 0.00 178.16 178.34 1h7h s GLY 12 N -3.34 1.77 -0.29 1.82 0.00 -1.26 -0.91 107.32 105.11 1h7h s GLY 12 Ca -0.14 0.42 -0.19 0.00 0.00 0.00 0.00 44.72 44.82 1h7h s GLY 12 CO 0.75 0.79 1.17 -0.45 0.00 0.00 0.00 173.10 175.36 1h7h s SER 13 N -3.03 -0.26 0.31 1.64 0.15 -1.26 -4.77 113.70 106.47 1h7h s SER 13 Ca 0.64 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1h7h s SER 13 Cb -0.20 0.90 0.51 0.00 -1.71 0.00 0.00 66.02 65.53 1h7h s SER 13 CO 0.54 -0.07 1.92 0.77 1.20 0.00 0.00 173.24 177.60 1h7h h SER 14 N 4.96 0.76 0.00 5.45 4.64 -1.97 -3.12 113.55 124.27 1h7h h SER 14 Ca -0.27 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 60.88 1h7h h SER 14 Cb 1.18 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1h7h h SER 14 CO 0.19 0.64 -2.09 0.54 -0.87 0.00 0.00 176.83 175.25 1h7h n ARG 15 N -4.36 0.67 -3.25 4.77 5.12 -1.26 -4.77 116.66 113.57 1h7h n ARG 15 Ca 0.05 -0.15 -0.25 0.00 -1.93 0.00 0.00 57.85 55.58 1h7h n ARG 15 Cb 0.13 -1.51 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 1h7h n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h7h n LEU 16 N -2.37 -0.20 -4.62 0.55 4.77 -1.23 -4.72 117.00 109.19 1h7h n LEU 16 Ca -0.11 -4.51 -0.46 0.00 -0.03 0.00 0.00 56.01 50.90 1h7h n LEU 16 Cb 0.71 0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 42.38 1h7h n LEU 16 CO 0.45 1.98 0.78 -2.65 -1.33 0.00 0.00 177.39 176.62 1h7h n PRO 17 N 2.00 1.55 -2.60 3.23 -0.02 -1.18 -1.67 135.00 136.30 1h7h n PRO 17 Ca 0.24 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 1h7h n PRO 17 Cb 0.51 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1h7h n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h7h n GLY 18 N 1.74 -0.16 0.24 -1.23 0.00 -0.09 -4.94 105.19 100.74 1h7h n GLY 18 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1h7h n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h7h h LYS 19 N -0.62 0.03 0.00 1.61 3.64 -1.23 -1.97 116.57 118.03 1h7h h LYS 19 Ca -0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1h7h h LYS 19 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1h7h h LYS 19 CO 0.39 0.02 0.04 -1.00 -2.27 0.00 0.00 179.45 176.63 1h7h h PRO 20 N 0.03 0.00 -0.13 1.90 0.13 -1.83 -1.89 132.00 130.22 1h7h h PRO 20 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1h7h h PRO 20 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1h7h h PRO 20 CO -0.61 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.44 1h7h n LEU 21 N -2.66 2.98 -4.73 1.56 4.77 -0.74 -1.39 117.00 116.80 1h7h n LEU 21 Ca -0.02 -1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 1h7h n LEU 21 Cb 0.09 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1h7h n LEU 21 CO 0.14 0.54 1.16 -0.76 -1.33 0.00 0.00 177.39 177.15 1h7h s LEU 22 N -1.86 4.38 0.04 2.23 1.43 -0.71 -4.59 118.68 119.59 1h7h s LEU 22 Ca 0.32 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.74 1h7h s LEU 22 Cb 0.21 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1h7h s LEU 22 CO 0.31 -0.76 1.24 -0.62 0.23 0.00 0.00 176.35 176.75 1h7h s ASP 23 N 0.78 7.02 -0.22 2.29 2.15 -1.26 -0.44 116.67 126.98 1h7h s ASP 23 Ca 0.65 2.03 -0.01 0.00 0.43 0.00 0.00 52.55 55.65 1h7h s ASP 23 Cb -0.43 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.68 1h7h s ASP 23 CO 0.37 -0.54 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.19 1h7h s ILE 24 N 1.42 1.11 -1.57 4.11 1.01 0.32 -4.84 121.20 122.76 1h7h s ILE 24 Ca 0.59 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1h7h s ILE 24 Cb -0.30 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.73 1h7h s ILE 24 CO 0.28 -0.19 0.36 1.33 0.00 0.00 0.00 174.94 176.72 1h7h n VAL 25 N 4.82 -1.60 0.00 2.92 0.24 -1.26 -2.20 118.33 121.25 1h7h n VAL 25 Ca -0.10 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1h7h n VAL 25 Cb 0.45 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 1h7h n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h7h n GLY 26 N -1.99 1.61 3.12 7.63 0.00 -1.26 -5.07 105.19 109.24 1h7h n GLY 26 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1h7h n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7h s LYS 27 N -0.98 0.81 0.57 1.61 1.02 -0.93 -5.09 119.74 116.75 1h7h s LYS 27 Ca 0.00 -0.75 -0.20 0.00 0.02 0.00 0.00 55.97 55.04 1h7h s LYS 27 Cb 0.00 -0.78 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 1h7h s LYS 27 CO 0.00 0.19 1.22 -1.25 -0.92 0.00 0.00 175.35 174.59 1h7h s PRO 28 N -1.25 3.08 0.31 -1.68 0.04 -1.26 -0.52 135.00 133.72 1h7h s PRO 28 Ca -0.01 1.87 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1h7h s PRO 28 Cb -0.08 -2.02 0.80 0.00 0.04 0.00 0.00 34.50 33.24 1h7h s PRO 28 CO 0.01 -1.13 1.74 1.98 0.04 0.00 0.00 177.00 179.64 1h7h h MET 29 N 1.08 0.62 -0.20 4.56 1.85 -0.63 -1.05 114.93 121.16 1h7h h MET 29 Ca -0.50 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.53 1h7h h MET 29 Cb 1.29 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.17 1h7h h MET 29 CO 0.56 0.41 0.05 0.97 -0.40 0.00 0.00 176.91 178.50 1h7h h ILE 30 N 0.64 1.10 -0.25 1.77 6.09 -1.46 -1.96 117.51 123.44 1h7h h ILE 30 Ca 0.60 -0.35 -0.13 0.00 -1.37 0.00 0.00 64.86 63.61 1h7h h ILE 30 Cb 1.06 0.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 1h7h h ILE 30 CO -0.44 0.13 -0.38 -0.61 -3.07 0.00 0.00 178.15 173.77 1h7h h GLN 31 N 0.28 0.56 -0.50 2.19 4.15 -1.46 -1.46 115.11 118.88 1h7h h GLN 31 Ca 0.07 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1h7h h GLN 31 Cb 0.11 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1h7h h GLN 31 CO -0.00 0.85 0.22 0.45 -1.93 0.00 0.00 178.83 178.42 1h7h h HIS 32 N 0.47 0.74 -0.26 3.99 3.86 -1.32 -0.51 115.15 122.12 1h7h h HIS 32 Ca 0.04 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1h7h h HIS 32 Cb 0.87 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 1h7h h HIS 32 CO 0.03 0.61 0.01 0.28 0.86 0.00 0.00 177.93 179.73 1h7h h VAL 33 N 0.66 1.25 -0.66 2.45 2.07 -1.39 -2.62 116.25 118.01 1h7h h VAL 33 Ca 0.17 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1h7h h VAL 33 Cb 0.16 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1h7h h VAL 33 CO -0.02 0.28 0.39 0.22 0.02 0.00 0.00 177.57 178.46 1h7h h TYR 34 N 0.25 0.88 -0.42 1.57 5.03 -1.12 -0.80 116.97 122.35 1h7h h TYR 34 Ca 0.08 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.29 1h7h h TYR 34 Cb 0.39 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1h7h h TYR 34 CO 0.03 0.60 -0.10 0.93 -1.32 0.00 0.00 178.16 178.30 1h7h h GLU 35 N 0.90 0.75 -0.15 1.82 5.08 -1.06 -2.11 114.58 119.80 1h7h h GLU 35 Ca 0.24 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1h7h h GLU 35 Cb -0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1h7h h GLU 35 CO -0.04 0.82 -0.61 0.00 -1.00 0.00 0.00 179.01 178.18 1h7h h ARG 36 N 0.68 0.51 -0.29 2.33 3.08 -1.20 -2.90 114.38 116.59 1h7h h ARG 36 Ca 0.12 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1h7h h ARG 36 Cb 0.56 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1h7h h ARG 36 CO 0.03 0.97 0.05 0.00 -1.07 0.00 0.00 179.97 179.95 1h7h h ALA 37 N 0.95 1.56 0.00 0.04 0.00 -0.86 -1.21 119.26 119.74 1h7h h ALA 37 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1h7h h ALA 37 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1h7h h ALA 37 CO 0.11 0.33 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 1h7h h LEU 38 N 0.41 0.00 -0.53 0.00 3.38 -1.18 -2.69 115.31 114.71 1h7h h LEU 38 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1h7h h LEU 38 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1h7h h LEU 38 CO -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.46 1h7h n GLN 39 N -2.66 1.17 -2.71 1.13 6.02 -0.46 -4.83 117.38 115.04 1h7h n GLN 39 Ca 0.01 -0.53 -0.43 0.00 -0.01 0.00 0.00 57.00 56.04 1h7h n GLN 39 Cb 0.25 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1h7h n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h7h s VAL 40 N -2.19 4.53 0.46 5.09 1.01 -1.02 -4.96 120.40 123.31 1h7h s VAL 40 Ca 0.36 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 1h7h s VAL 40 Cb 0.21 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1h7h s VAL 40 CO 0.40 -0.53 1.15 0.00 0.00 0.00 0.00 175.10 176.12 1h7h s ALA 41 N 3.61 2.97 0.00 5.51 0.00 -1.26 -3.65 121.76 128.94 1h7h s ALA 41 Ca 0.42 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1h7h s ALA 41 Cb -0.12 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1h7h s ALA 41 CO 0.18 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1h7h n GLY 42 N 0.41 0.77 3.78 0.00 0.00 -1.26 -4.92 105.19 103.97 1h7h n GLY 42 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1h7h n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h7h s VAL 43 N -3.02 5.15 -0.02 1.61 1.01 -1.24 -4.50 120.40 119.39 1h7h s VAL 43 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1h7h s VAL 43 Cb 0.00 -3.26 -0.27 0.00 0.00 0.00 0.00 36.38 32.85 1h7h s VAL 43 CO 0.00 0.56 0.76 0.00 0.00 0.00 0.00 175.10 176.42 1h7h h ALA 44 N 5.56 0.38 -2.54 5.51 0.00 -1.38 -3.49 119.26 123.30 1h7h h ALA 44 Ca -0.49 -1.21 -0.10 0.00 0.00 0.00 0.00 54.91 53.11 1h7h h ALA 44 Cb 1.20 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 19.18 1h7h h ALA 44 CO 0.62 1.24 -0.26 -1.21 0.00 0.00 0.00 179.25 179.64 1h7h s GLU 45 N -2.61 0.76 -0.10 0.00 2.02 -1.25 -5.07 118.70 112.45 1h7h s GLU 45 Ca -0.10 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1h7h s GLU 45 Cb 0.07 0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.65 1h7h s GLU 45 CO 0.83 -0.23 -0.10 0.08 0.02 0.00 0.00 175.26 175.86 1h7h s VAL 46 N -2.20 1.13 0.07 2.63 1.01 -1.26 -0.95 120.40 120.82 1h7h s VAL 46 Ca -0.07 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1h7h s VAL 46 Cb -0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1h7h s VAL 46 CO -0.01 0.38 -0.20 0.26 0.00 0.00 0.00 175.10 175.52 1h7h s TRP 47 N 1.39 1.74 -0.22 5.22 0.52 0.16 -4.40 118.94 123.35 1h7h s TRP 47 Ca -0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 56.10 55.67 1h7h s TRP 47 Cb -0.13 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1h7h s TRP 47 CO -0.05 0.13 0.01 0.08 0.02 0.00 0.00 176.95 177.14 1h7h s VAL 48 N -0.96 3.90 -0.29 4.03 1.01 -0.75 -0.30 120.40 127.04 1h7h s VAL 48 Ca 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1h7h s VAL 48 Cb -0.09 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1h7h s VAL 48 CO 0.03 0.40 0.17 0.00 0.00 0.00 0.00 175.10 175.70 1h7h s ALA 49 N 1.28 3.41 0.18 5.51 0.00 -0.24 -0.57 121.76 131.33 1h7h s ALA 49 Ca 0.04 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1h7h s ALA 49 Cb -0.15 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1h7h s ALA 49 CO 0.01 -0.67 0.03 -0.08 0.00 0.00 0.00 175.76 175.05 1h7h s THR 50 N 1.70 0.52 -0.68 0.00 -1.32 -0.58 -0.83 115.64 114.46 1h7h s THR 50 Ca 0.06 -1.97 0.12 0.00 -1.21 0.00 0.00 61.69 58.70 1h7h s THR 50 Cb -0.16 -2.18 -0.10 0.00 -1.51 0.00 0.00 72.50 68.54 1h7h s THR 50 CO 0.09 -0.40 0.55 -0.90 -2.21 0.00 0.00 174.62 171.74 1h7h n ASP 51 N -0.24 0.72 -4.31 8.08 5.75 -1.26 -0.28 116.55 125.01 1h7h n ASP 51 Ca -0.05 -0.86 -0.32 0.00 -0.01 0.00 0.00 54.79 53.55 1h7h n ASP 51 Cb 0.64 0.90 -0.16 0.00 -1.03 0.00 0.00 41.12 41.47 1h7h n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1h7h s ASP 52 N -2.02 3.39 0.54 -1.12 -1.08 -1.26 -4.86 116.67 110.26 1h7h s ASP 52 Ca 0.06 -0.44 0.20 0.00 -0.52 0.00 0.00 52.55 51.85 1h7h s ASP 52 Cb 0.09 -1.10 1.44 0.00 -1.46 0.00 0.00 42.92 41.90 1h7h s ASP 52 CO 0.46 0.23 2.18 -0.65 0.52 0.00 0.00 175.17 177.90 1h7h h PRO 53 N 6.21 0.00 -0.19 4.34 0.11 -1.99 -1.80 132.00 138.68 1h7h h PRO 53 Ca -0.30 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 1h7h h PRO 53 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1h7h h PRO 53 CO 0.49 0.00 -0.49 0.00 -0.21 0.00 0.00 178.00 177.79 1h7h h ARG 54 N 0.00 0.52 -0.11 1.05 3.08 -1.99 -1.50 114.38 115.43 1h7h h ARG 54 Ca 0.01 -0.30 -0.18 0.00 0.07 0.00 0.00 59.98 59.57 1h7h h ARG 54 Cb 0.03 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1h7h h ARG 54 CO -0.00 0.90 -0.64 0.28 -1.07 0.00 0.00 179.97 179.44 1h7h h VAL 55 N 0.41 1.33 -0.42 2.04 2.07 -1.76 -2.58 116.25 117.35 1h7h h VAL 55 Ca 0.02 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.65 1h7h h VAL 55 Cb 1.01 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1h7h h VAL 55 CO 0.09 0.59 0.25 -0.08 0.02 0.00 0.00 177.57 178.43 1h7h h GLU 56 N 0.28 0.48 -0.43 1.57 4.81 -1.32 -1.55 114.58 118.43 1h7h h GLU 56 Ca -0.05 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1h7h h GLU 56 Cb 1.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1h7h h GLU 56 CO 0.13 0.32 -0.09 1.96 -0.73 0.00 0.00 179.01 180.59 1h7h h GLN 57 N 0.50 0.75 -0.71 1.92 1.08 -1.32 -2.07 115.11 115.25 1h7h h GLN 57 Ca 0.17 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1h7h h GLN 57 Cb 0.01 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1h7h h GLN 57 CO -0.08 0.82 0.18 0.00 -0.95 0.00 0.00 178.83 178.81 1h7h h ALA 58 N 1.21 0.97 -0.09 3.87 0.00 -1.01 -0.27 119.26 123.95 1h7h h ALA 58 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1h7h h ALA 58 Cb 0.56 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1h7h h ALA 58 CO 0.03 0.67 -0.00 0.28 0.00 0.00 0.00 179.25 180.23 1h7h h VAL 59 N 1.08 1.26 0.00 0.00 2.07 -1.10 -2.88 116.25 116.68 1h7h h VAL 59 Ca 0.23 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1h7h h VAL 59 Cb 0.36 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1h7h h VAL 59 CO 0.00 0.23 -0.15 1.56 0.02 0.00 0.00 177.57 179.24 1h7h h GLN 60 N -0.14 0.00 -0.74 1.57 4.20 -1.25 -1.31 115.11 117.44 1h7h h GLN 60 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1h7h h GLN 60 Cb 0.37 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1h7h h GLN 60 CO 0.01 0.15 0.42 0.00 -0.67 0.00 0.00 178.83 178.73 1h7h h ALA 61 N 1.85 1.35 -0.23 3.87 0.00 -0.82 -2.12 119.26 123.15 1h7h h ALA 61 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h7h h ALA 61 Cb 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h7h h ALA 61 CO 0.02 0.55 0.00 1.97 0.00 0.00 0.00 179.25 181.78 1h7h n PHE 62 N -4.37 0.29 -0.04 0.00 1.16 -0.95 -4.94 117.46 108.62 1h7h n PHE 62 Ca 0.08 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.51 1h7h n PHE 62 Cb 0.09 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.96 1h7h n PHE 62 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1h7h n GLY 63 N 1.27 0.58 3.92 4.97 0.00 -0.80 -5.09 105.19 110.04 1h7h n GLY 63 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1h7h n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h7h s GLY 64 N -1.17 1.68 -0.15 -0.02 0.00 -0.54 -4.96 107.32 102.15 1h7h s GLY 64 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 1h7h s GLY 64 CO 0.00 -0.36 0.03 0.54 0.00 0.00 0.00 173.10 173.31 1h7h s LYS 65 N -5.61 3.70 0.06 2.90 1.02 -1.26 -4.07 119.74 116.48 1h7h s LYS 65 Ca 0.66 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.29 1h7h s LYS 65 Cb -0.08 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1h7h s LYS 65 CO 0.49 0.36 -0.11 0.00 -0.92 0.00 0.00 175.35 175.17 1h7h s ALA 66 N 0.08 0.89 -0.04 5.17 0.00 -1.26 -1.81 121.76 124.80 1h7h s ALA 66 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1h7h s ALA 66 Cb -0.13 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1h7h s ALA 66 CO 0.01 0.08 -0.04 -1.50 0.00 0.00 0.00 175.76 174.31 1h7h s ILE 67 N -1.32 0.49 0.16 0.00 2.07 0.27 -4.92 121.20 117.95 1h7h s ILE 67 Ca -0.06 -0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 58.79 1h7h s ILE 67 Cb -0.10 -0.53 -0.07 0.00 0.13 0.00 0.00 42.46 41.89 1h7h s ILE 67 CO 0.01 0.22 1.11 -0.04 -1.91 0.00 0.00 174.94 174.33 1h7h s MET 68 N 0.94 4.57 0.30 3.50 -1.94 -1.26 -1.53 119.30 123.88 1h7h s MET 68 Ca -0.11 1.71 0.03 0.00 -1.71 0.00 0.00 55.69 55.62 1h7h s MET 68 Cb -0.14 -3.29 -0.06 0.00 2.01 0.00 0.00 34.83 33.35 1h7h s MET 68 CO -0.00 0.03 0.06 0.95 -0.01 0.00 0.00 175.02 176.05 1h7h s THR 69 N -0.04 1.04 0.74 2.05 -4.23 0.61 -4.90 115.64 110.90 1h7h s THR 69 Ca 0.51 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1h7h s THR 69 Cb -0.29 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.87 1h7h s THR 69 CO 0.34 -0.03 1.23 -0.13 -0.54 0.00 0.00 174.62 175.49 1h7h s ARG 70 N -3.92 2.06 0.00 3.99 0.52 -1.26 -4.41 118.95 115.93 1h7h s ARG 70 Ca 0.36 1.83 0.26 0.00 -0.52 0.00 0.00 55.73 57.66 1h7h s ARG 70 Cb 0.08 -1.82 0.56 0.00 0.52 0.00 0.00 34.95 34.29 1h7h s ARG 70 CO 0.15 -1.91 1.45 0.27 0.02 0.00 0.00 175.30 175.28 1h7h n ASN 71 N -2.72 1.97 -0.94 0.23 6.94 -1.26 -4.25 115.26 115.23 1h7h n ASN 71 Ca 0.14 -1.55 0.11 0.00 -0.02 0.00 0.00 54.58 53.26 1h7h n ASN 71 Cb 0.50 0.10 0.27 0.00 -2.36 0.00 0.00 39.78 38.29 1h7h n ASN 71 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1h7h n ASP 72 N 0.36 2.77 -4.77 0.53 5.68 -1.26 -4.95 116.55 114.93 1h7h n ASP 72 Ca 0.15 -1.91 -0.40 0.00 -0.50 0.00 0.00 54.79 52.12 1h7h n ASP 72 Cb 0.45 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 1h7h n ASP 72 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1h7h s HIS 73 N -1.52 3.27 -0.18 2.11 3.76 -1.26 -4.94 115.29 116.53 1h7h s HIS 73 Ca 0.36 1.56 0.22 0.00 -0.15 0.00 0.00 55.06 57.06 1h7h s HIS 73 Cb 0.20 -3.45 -0.09 0.00 1.11 0.00 0.00 32.58 30.34 1h7h s HIS 73 CO 0.28 -1.20 0.89 0.39 -0.85 0.00 0.00 174.74 174.25 1h7h n GLU 74 N 0.80 0.62 -4.03 1.40 1.02 -1.26 -4.98 120.64 114.21 1h7h n GLU 74 Ca 0.00 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 1h7h n GLU 74 Cb 0.44 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 1h7h n GLU 74 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1h7h s SER 75 N -5.12 0.23 0.50 1.62 1.04 -1.26 -5.02 113.70 105.68 1h7h s SER 75 Ca -0.03 -0.97 0.28 0.00 0.48 0.00 0.00 55.95 55.71 1h7h s SER 75 Cb 0.11 0.33 1.28 0.00 0.10 0.00 0.00 66.02 67.84 1h7h s SER 75 CO 0.82 -0.75 1.98 1.23 0.98 0.00 0.00 173.24 177.50 1h7h h GLY 76 N 2.81 0.00 0.96 7.32 0.00 -1.98 -2.61 103.07 109.57 1h7h h GLY 76 Ca -0.34 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1h7h h GLY 76 CO 0.57 0.00 -0.08 -0.84 0.00 0.00 0.00 176.54 176.18 1h7h h THR 77 N 0.00 1.28 -0.38 4.70 2.02 -1.99 -0.87 112.91 117.66 1h7h h THR 77 Ca -0.00 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 1h7h h THR 77 Cb 0.50 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1h7h h THR 77 CO 0.02 0.38 -0.16 0.44 0.37 0.00 0.00 175.52 176.57 1h7h h ASP 78 N 0.52 0.71 -0.38 4.18 3.32 -1.90 -2.23 116.42 120.64 1h7h h ASP 78 Ca 0.10 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1h7h h ASP 78 Cb 0.60 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1h7h h ASP 78 CO 0.04 0.88 0.04 -0.09 -1.72 0.00 0.00 179.24 178.38 1h7h h ARG 79 N 0.64 0.73 -0.59 3.56 2.43 -1.22 -2.43 114.38 117.50 1h7h h ARG 79 Ca 0.10 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1h7h h ARG 79 Cb 0.63 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1h7h h ARG 79 CO 0.04 0.71 0.01 1.25 -1.51 0.00 0.00 179.97 180.48 1h7h h LEU 80 N 0.69 0.98 -1.04 3.80 5.85 -0.74 -2.53 115.31 122.33 1h7h h LEU 80 Ca 0.15 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1h7h h LEU 80 Cb 0.36 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1h7h h LEU 80 CO 0.01 1.03 0.56 0.58 -0.34 0.00 0.00 178.44 180.28 1h7h h VAL 81 N 0.93 1.24 -0.38 1.05 2.07 -0.94 -0.74 116.25 119.49 1h7h h VAL 81 Ca 0.17 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1h7h h VAL 81 Cb 0.52 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1h7h h VAL 81 CO 0.03 0.25 -0.07 -0.08 0.02 0.00 0.00 177.57 177.71 1h7h h GLU 82 N 1.23 0.63 -0.16 1.57 4.81 -1.16 -2.89 114.58 118.62 1h7h h GLU 82 Ca 0.32 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 1h7h h GLU 82 Cb -0.08 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1h7h h GLU 82 CO -0.06 0.70 -0.62 0.28 -0.73 0.00 0.00 179.01 178.58 1h7h h VAL 83 N 0.59 1.33 -0.74 0.32 2.07 -0.99 -3.19 116.25 115.65 1h7h h VAL 83 Ca 0.11 -1.91 0.15 0.00 0.82 0.00 0.00 66.70 65.87 1h7h h VAL 83 Cb 0.48 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1h7h h VAL 83 CO 0.03 0.59 0.50 -0.03 0.02 0.00 0.00 177.57 178.67 1h7h h MET 84 N 0.40 0.36 -0.04 1.57 1.85 -0.94 0.40 114.93 118.53 1h7h h MET 84 Ca -0.01 -0.02 -0.12 0.00 -0.61 0.00 0.00 59.70 58.94 1h7h h MET 84 Cb 1.19 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.12 1h7h h MET 84 CO 0.12 0.24 -0.53 0.45 -0.40 0.00 0.00 176.91 176.78 1h7h h HIS 85 N 0.38 0.13 0.08 1.39 -0.00 -1.57 -3.30 115.15 112.26 1h7h h HIS 85 Ca 0.36 -0.04 -0.36 0.00 -0.00 0.00 0.00 60.37 60.33 1h7h h HIS 85 Cb 0.87 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.22 1h7h h HIS 85 CO -0.00 0.62 -2.02 1.63 -0.00 0.00 0.00 177.93 178.15 1h7h n LYS 86 N -3.91 0.72 -3.75 2.45 5.02 0.01 -4.82 118.16 113.88 1h7h n LYS 86 Ca -0.02 0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 1h7h n LYS 86 Cb 0.55 -1.69 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 1h7h n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h7h s VAL 87 N -2.56 3.79 0.03 -0.18 1.01 0.12 -5.09 120.40 117.53 1h7h s VAL 87 Ca -0.20 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1h7h s VAL 87 Cb 0.07 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1h7h s VAL 87 CO 0.76 -0.18 0.97 -1.61 0.00 0.00 0.00 175.10 175.05 1h7h s GLU 88 N 1.41 4.60 0.24 2.72 2.02 -1.26 -4.48 118.70 123.95 1h7h s GLU 88 Ca -0.02 1.43 -0.22 0.00 0.02 0.00 0.00 54.97 56.18 1h7h s GLU 88 Cb -0.19 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 30.63 1h7h s GLU 88 CO 0.03 0.02 0.74 0.00 0.02 0.00 0.00 175.26 176.07 1h7h s ALA 89 N 0.74 -1.33 -0.16 5.21 0.00 -1.26 -5.01 121.76 119.96 1h7h s ALA 89 Ca 0.51 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.38 1h7h s ALA 89 Cb -0.22 0.82 -0.23 0.00 0.00 0.00 0.00 23.12 23.50 1h7h s ALA 89 CO 0.28 -1.00 0.21 -0.25 0.00 0.00 0.00 175.76 175.00 1h7h n ASP 90 N -0.45 1.34 -4.05 0.00 8.00 0.40 -4.64 116.55 117.16 1h7h n ASP 90 Ca -0.06 0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.31 1h7h n ASP 90 Cb 0.60 -0.15 -0.16 0.00 -0.02 0.00 0.00 41.12 41.38 1h7h n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h7h s ILE 91 N -2.54 1.21 -0.15 0.53 1.01 -0.85 -0.55 121.20 119.86 1h7h s ILE 91 Ca -0.19 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 1h7h s ILE 91 Cb 0.07 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1h7h s ILE 91 CO 0.75 0.37 -0.13 -0.31 0.00 0.00 0.00 174.94 175.62 1h7h s TYR 92 N 0.56 2.81 -0.19 3.97 1.51 0.34 -1.79 117.35 124.56 1h7h s TYR 92 Ca -0.13 -0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 54.96 1h7h s TYR 92 Cb -0.15 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1h7h s TYR 92 CO 0.04 -0.40 0.04 0.42 -1.11 0.00 0.00 175.55 174.54 1h7h s ILE 93 N 0.74 4.49 -0.38 2.71 1.01 -0.25 -0.24 121.20 129.28 1h7h s ILE 93 Ca -0.06 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 1h7h s ILE 93 Cb -0.15 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1h7h s ILE 93 CO 0.01 0.44 0.23 0.21 0.00 0.00 0.00 174.94 175.84 1h7h s ASN 94 N 0.61 5.87 -0.06 3.58 2.47 0.79 -0.62 114.94 127.57 1h7h s ASN 94 Ca 0.02 -0.85 -0.00 0.00 0.42 0.00 0.00 52.86 52.44 1h7h s ASN 94 Cb -0.13 -2.08 -0.03 0.00 -1.45 0.00 0.00 41.25 37.56 1h7h s ASN 94 CO 0.02 -0.37 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.25 1h7h s LEU 95 N 1.62 3.44 0.14 3.21 1.43 -0.69 -2.75 118.68 125.08 1h7h s LEU 95 Ca 0.04 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1h7h s LEU 95 Cb -0.19 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 1h7h s LEU 95 CO 0.08 0.35 1.23 -1.10 0.23 0.00 0.00 176.35 177.14 1h7h s GLN 96 N -1.02 4.44 0.14 1.70 -1.52 -1.26 -3.61 119.66 118.53 1h7h s GLN 96 Ca 0.14 1.88 0.23 0.00 -1.95 0.00 0.00 55.36 55.66 1h7h s GLN 96 Cb -0.11 -3.27 0.89 0.00 -0.22 0.00 0.00 33.01 30.30 1h7h s GLN 96 CO 0.04 -0.20 1.70 0.41 -0.25 0.00 0.00 175.29 176.99 1h7h n GLY 97 N 2.70 -1.33 1.09 3.09 0.00 -1.20 -3.45 105.19 106.08 1h7h n GLY 97 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1h7h n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h7h n ASP 98 N -1.93 3.97 -3.70 1.61 5.75 -1.26 -4.52 116.55 116.46 1h7h n ASP 98 Ca 0.04 -3.11 -0.27 0.00 -0.01 0.00 0.00 54.79 51.43 1h7h n ASP 98 Cb 0.27 -0.58 -0.11 0.00 -1.03 0.00 0.00 41.12 39.67 1h7h n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1h7h n GLU 99 N -0.46 1.56 0.02 0.11 1.02 -1.22 -0.87 120.64 120.79 1h7h n GLU 99 Ca 0.25 -4.20 0.08 0.00 -0.02 0.00 0.00 57.16 53.26 1h7h n GLU 99 Cb 0.98 -2.11 0.33 0.00 -0.02 0.00 0.00 31.44 30.61 1h7h n GLU 99 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1h7h n PRO 100 N 1.95 0.02 -0.55 3.49 -0.04 -1.26 -3.26 135.00 135.34 1h7h n PRO 100 Ca 0.23 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 64.05 1h7h n PRO 100 Cb 0.39 -1.55 0.32 0.00 -0.04 0.00 0.00 33.50 32.63 1h7h n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1h7h n MET 101 N -1.59 3.43 -1.72 0.54 2.81 -1.26 -4.63 117.12 114.70 1h7h n MET 101 Ca 0.03 -2.55 -0.43 0.00 -1.81 0.00 0.00 57.70 52.95 1h7h n MET 101 Cb 0.18 -1.83 -0.01 0.00 -0.71 0.00 0.00 33.22 30.85 1h7h n MET 101 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1h7h n ILE 102 N 1.00 1.39 -3.38 2.02 0.13 -1.20 -4.62 119.36 114.69 1h7h n ILE 102 Ca 0.23 -0.35 -0.39 0.00 -1.10 0.00 0.00 62.75 61.15 1h7h n ILE 102 Cb 0.81 -1.75 -0.08 0.00 -0.84 0.00 0.00 39.64 37.77 1h7h n ILE 102 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1h7h s ARG 103 N -1.06 4.09 0.48 9.51 0.52 -1.26 -4.97 118.95 126.26 1h7h s ARG 103 Ca 0.61 0.13 0.22 0.00 -0.52 0.00 0.00 55.73 56.17 1h7h s ARG 103 Cb -0.55 -3.60 1.25 0.00 0.52 0.00 0.00 34.95 32.57 1h7h s ARG 103 CO 0.55 -0.17 1.93 -1.35 0.02 0.00 0.00 175.30 176.28 1h7h h PRO 104 N 7.78 0.20 -0.93 3.54 0.11 -1.94 -1.46 132.00 139.29 1h7h h PRO 104 Ca -0.33 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1h7h h PRO 104 Cb 1.16 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1h7h h PRO 104 CO 0.68 0.13 0.57 0.00 -0.21 0.00 0.00 178.00 179.17 1h7h h ARG 105 N 0.20 1.26 -0.29 1.05 2.47 -1.93 -2.33 114.38 114.82 1h7h h ARG 105 Ca 0.35 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.89 1h7h h ARG 105 Cb 1.08 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 1h7h h ARG 105 CO -0.07 0.88 -0.11 -0.44 0.56 0.00 0.00 179.97 180.79 1h7h h ASP 106 N 1.28 0.46 0.27 7.04 3.32 -1.68 -1.72 116.42 125.39 1h7h h ASP 106 Ca 0.33 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1h7h h ASP 106 Cb -0.06 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1h7h h ASP 106 CO -0.06 0.61 -0.58 0.58 -1.72 0.00 0.00 179.24 178.06 1h7h h VAL 107 N 0.45 1.36 -0.31 -1.35 2.07 -1.46 -2.78 116.25 114.24 1h7h h VAL 107 Ca 0.09 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 65.59 1h7h h VAL 107 Cb 0.46 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1h7h h VAL 107 CO 0.03 0.57 -0.24 -0.33 0.02 0.00 0.00 177.57 177.62 1h7h h GLU 108 N 0.25 0.60 -0.55 1.57 5.08 -0.94 -1.08 114.58 119.51 1h7h h GLU 108 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1h7h h GLU 108 Cb 1.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1h7h h GLU 108 CO 0.10 0.79 0.32 1.15 -1.00 0.00 0.00 179.01 180.36 1h7h h THR 109 N 0.53 1.18 -0.31 1.13 2.02 -1.17 0.33 112.91 116.62 1h7h h THR 109 Ca 0.08 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1h7h h THR 109 Cb 0.70 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1h7h h THR 109 CO 0.05 0.19 0.13 0.25 0.37 0.00 0.00 175.52 176.51 1h7h h LEU 110 N 0.74 0.42 -0.63 2.58 5.85 -1.21 -1.70 115.31 121.36 1h7h h LEU 110 Ca 0.20 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1h7h h LEU 110 Cb 0.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1h7h h LEU 110 CO -0.03 0.47 0.03 0.25 -0.34 0.00 0.00 178.44 178.81 1h7h h LEU 111 N 0.35 1.07 -0.77 2.25 6.46 -0.95 -2.60 115.31 121.12 1h7h h LEU 111 Ca 0.10 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1h7h h LEU 111 Cb 0.17 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 1h7h h LEU 111 CO -0.01 1.10 0.31 -0.61 -0.62 0.00 0.00 178.44 178.61 1h7h h GLN 112 N 1.01 1.15 -0.76 1.25 5.75 -0.82 -1.68 115.11 120.99 1h7h h GLN 112 Ca 0.18 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1h7h h GLN 112 Cb 0.54 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 1h7h h GLN 112 CO 0.03 0.93 0.49 0.78 -2.65 0.00 0.00 178.83 178.41 1h7h h GLY 113 N 1.11 1.08 1.11 2.39 0.00 -1.09 0.85 103.07 108.53 1h7h h GLY 113 Ca 0.26 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1h7h h GLY 113 CO -0.02 0.41 -0.04 -0.33 0.00 0.00 0.00 176.54 176.55 1h7h h MET 114 N 1.04 1.05 -0.01 4.80 2.86 -1.13 -3.00 114.93 120.53 1h7h h MET 114 Ca 0.28 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 1h7h h MET 114 Cb -0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1h7h h MET 114 CO -0.06 1.05 -0.67 0.00 1.06 0.00 0.00 176.91 178.29 1h7h h ARG 115 N 0.95 0.06 0.00 1.72 3.08 -0.89 -3.07 114.38 116.23 1h7h h ARG 115 Ca 0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1h7h h ARG 115 Cb 0.60 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1h7h h ARG 115 CO 0.04 0.71 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40 1h7h n ASP 116 N -3.76 0.59 -3.42 7.04 8.00 0.26 -4.37 116.55 120.88 1h7h n ASP 116 Ca -0.01 0.62 -0.21 0.00 0.71 0.00 0.00 54.79 55.89 1h7h n ASP 116 Cb 0.66 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 1h7h n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h7h s ASP 117 N -4.11 2.10 0.61 -2.24 -1.08 -1.14 -5.01 116.67 105.79 1h7h s ASP 117 Ca 0.07 -1.38 0.32 0.00 -0.52 0.00 0.00 52.55 51.04 1h7h s ASP 117 Cb 0.11 0.20 1.90 0.00 -1.46 0.00 0.00 42.92 43.66 1h7h s ASP 117 CO 0.43 -0.34 2.23 -0.65 0.52 0.00 0.00 175.17 177.36 1h7h h PRO 118 N 7.68 0.00 0.00 4.34 0.11 -1.76 -1.80 132.00 140.57 1h7h h PRO 118 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1h7h h PRO 118 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1h7h h PRO 118 CO 0.30 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.09 1h7h n ALA 119 N -2.26 2.29 -2.24 -0.75 0.00 -1.26 -4.83 120.51 111.46 1h7h n ALA 119 Ca -0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1h7h n ALA 119 Cb 0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 1h7h n ALA 119 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1h7h s LEU 120 N -4.43 3.94 -0.03 0.00 2.96 -0.68 -4.94 118.68 115.51 1h7h s LEU 120 Ca 0.11 1.53 -0.23 0.00 -0.22 0.00 0.00 54.13 55.31 1h7h s LEU 120 Cb 0.13 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 43.06 1h7h s LEU 120 CO 0.59 -1.13 1.08 -0.65 -1.32 0.00 0.00 176.35 174.92 1h7h h PRO 121 N 9.94 0.23 -4.09 0.98 0.11 -1.88 -3.44 132.00 133.85 1h7h h PRO 121 Ca -0.31 -0.22 -0.24 0.00 0.11 0.00 0.00 66.00 65.34 1h7h h PRO 121 Cb 1.13 0.06 -0.25 0.00 0.11 0.00 0.00 31.00 32.05 1h7h h PRO 121 CO 1.01 0.91 -0.72 0.08 -0.21 0.00 0.00 178.00 179.07 1h7h s VAL 122 N -3.31 0.22 0.03 3.15 1.01 -1.20 -1.69 120.40 118.62 1h7h s VAL 122 Ca -0.15 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1h7h s VAL 122 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1h7h s VAL 122 CO 0.75 -0.21 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 1h7h s ALA 123 N -0.75 0.55 0.33 5.51 0.00 -0.80 -1.41 121.76 125.20 1h7h s ALA 123 Ca -0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1h7h s ALA 123 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1h7h s ALA 123 CO -0.00 0.01 0.44 -2.37 0.00 0.00 0.00 175.76 173.84 1h7h n THR 124 N 1.81 0.00 -4.39 0.00 5.66 0.05 -1.48 114.28 115.91 1h7h n THR 124 Ca -0.20 -1.77 -0.25 0.00 -3.05 0.00 0.00 64.05 58.77 1h7h n THR 124 Cb 0.55 1.06 -0.09 0.00 -1.55 0.00 0.00 70.33 70.30 1h7h n THR 124 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1h7h s LEU 125 N 0.00 2.93 0.13 1.09 1.43 -1.23 -1.22 118.68 121.81 1h7h s LEU 125 Ca 0.29 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 1h7h s LEU 125 Cb -0.01 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 45.05 1h7h s LEU 125 CO 0.21 -0.29 0.73 0.00 0.23 0.00 0.00 176.35 177.23 1h7h s HIS 127 N -3.57 -0.16 0.35 0.00 -3.43 -0.39 -1.01 115.29 107.08 1h7h s HIS 127 Ca 0.05 0.07 -0.28 0.00 -0.80 0.00 0.00 55.06 54.10 1h7h s HIS 127 Cb -0.02 0.14 -0.10 0.00 -1.43 0.00 0.00 32.58 31.17 1h7h s HIS 127 CO -0.07 -0.52 1.31 0.00 -2.00 0.00 0.00 174.74 173.45 1h7h s ALA 128 N -2.46 3.45 0.09 -1.38 0.00 -1.26 -0.24 121.76 119.96 1h7h s ALA 128 Ca -0.05 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1h7h s ALA 128 Cb -0.01 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1h7h s ALA 128 CO -0.03 -0.68 -0.06 0.96 0.00 0.00 0.00 175.76 175.95 1h7h s ILE 129 N -1.17 0.62 0.89 0.00 -4.36 -0.88 -4.82 121.20 111.48 1h7h s ILE 129 Ca 0.51 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.91 1h7h s ILE 129 Cb -0.39 -1.60 0.12 0.00 1.25 0.00 0.00 42.46 41.84 1h7h s ILE 129 CO 0.52 -0.86 1.12 -0.94 0.24 0.00 0.00 174.94 175.02 1h7h s SER 130 N -2.94 3.67 0.31 4.36 1.04 -1.26 -4.14 113.70 114.74 1h7h s SER 130 Ca 0.10 1.11 0.03 0.00 0.48 0.00 0.00 55.95 57.67 1h7h s SER 130 Cb 0.05 -1.74 0.50 0.00 0.10 0.00 0.00 66.02 64.93 1h7h s SER 130 CO -0.05 -2.46 1.79 0.00 0.98 0.00 0.00 173.24 173.50 1h7h h ALA 131 N -1.43 1.23 -0.37 5.32 0.00 -1.97 -1.78 119.26 120.26 1h7h h ALA 131 Ca -0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1h7h h ALA 131 Cb 1.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1h7h h ALA 131 CO 0.60 0.50 0.16 0.00 0.00 0.00 0.00 179.25 180.51 1h7h h ALA 132 N 1.40 0.48 -0.24 0.00 0.00 -2.02 -2.74 119.26 116.14 1h7h h ALA 132 Ca 0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1h7h h ALA 132 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1h7h h ALA 132 CO 0.03 0.07 -0.22 0.93 0.00 0.00 0.00 179.25 180.06 1h7h h GLU 133 N 0.45 0.44 0.00 0.00 5.08 -1.87 -2.94 114.58 115.74 1h7h h GLU 133 Ca 0.12 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1h7h h GLU 133 Cb 0.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1h7h h GLU 133 CO -0.01 0.65 -0.05 0.00 -1.00 0.00 0.00 179.01 178.60 1h7h h ALA 134 N 1.37 1.08 0.00 3.43 0.00 -1.04 -2.76 119.26 121.34 1h7h h ALA 134 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h7h h ALA 134 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1h7h h ALA 134 CO 0.04 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1h7h h ALA 135 N 1.95 1.00 -2.35 0.00 0.00 -1.32 -3.38 119.26 115.17 1h7h h ALA 135 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1h7h h ALA 135 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1h7h h ALA 135 CO 0.01 0.00 0.49 -1.21 0.00 0.00 0.00 179.25 178.53 1h7h s GLU 136 N -3.37 4.48 0.46 0.00 0.41 -1.04 -4.89 118.70 114.74 1h7h s GLU 136 Ca 0.04 1.45 0.31 0.00 -0.41 0.00 0.00 54.97 56.37 1h7h s GLU 136 Cb 0.09 -3.49 1.36 0.00 -1.78 0.00 0.00 34.13 30.31 1h7h s GLU 136 CO 0.47 -0.20 1.92 -1.35 -0.49 0.00 0.00 175.26 175.61 1h7h h PRO 137 N 6.97 0.00 0.00 0.39 0.11 -1.86 -2.44 132.00 135.17 1h7h h PRO 137 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1h7h h PRO 137 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h7h h PRO 137 CO 0.81 0.00 -0.28 -1.13 -0.21 0.00 0.00 178.00 177.19 1h7h n SER 138 N -2.76 0.43 -4.64 -2.05 3.41 -1.26 -4.72 113.62 102.02 1h7h n SER 138 Ca 0.01 0.21 -0.37 0.00 -0.26 0.00 0.00 58.87 58.46 1h7h n SER 138 Cb 0.24 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1h7h n SER 138 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1h7h s THR 139 N -3.05 5.33 -0.25 6.66 2.01 -0.92 -5.07 115.64 120.36 1h7h s THR 139 Ca 0.11 0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.09 1h7h s THR 139 Cb 0.16 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1h7h s THR 139 CO 0.63 0.31 0.74 -0.69 -0.69 0.00 0.00 174.62 174.92 1h7h s VAL 140 N 1.29 4.90 0.21 3.82 1.01 -1.26 -4.63 120.40 125.74 1h7h s VAL 140 Ca 0.08 1.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.38 1h7h s VAL 140 Cb -0.14 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1h7h s VAL 140 CO 0.07 -0.03 0.45 -0.54 0.00 0.00 0.00 175.10 175.05 1h7h s LYS 141 N 2.69 3.62 0.01 2.72 3.01 0.47 -0.76 119.74 131.51 1h7h s LYS 141 Ca 0.31 -0.07 0.01 0.00 -1.01 0.00 0.00 55.97 55.21 1h7h s LYS 141 Cb -0.15 -2.76 -0.01 0.00 -1.01 0.00 0.00 37.83 33.89 1h7h s LYS 141 CO 0.08 0.36 -0.05 0.54 0.51 0.00 0.00 175.35 176.79 1h7h s VAL 142 N -1.85 0.35 -0.08 3.17 0.11 -0.83 -1.03 120.40 120.23 1h7h s VAL 142 Ca 0.42 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1h7h s VAL 142 Cb -0.11 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1h7h s VAL 142 CO 0.27 -0.12 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.02 1h7h s VAL 143 N -0.62 1.81 0.38 2.04 1.01 -1.02 -4.21 120.40 119.78 1h7h s VAL 143 Ca -0.04 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1h7h s VAL 143 Cb -0.05 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 1h7h s VAL 143 CO -0.00 0.50 -0.04 0.68 0.00 0.00 0.00 175.10 176.25 1h7h s VAL 144 N 0.29 2.08 0.08 2.92 -7.23 -1.26 0.18 120.40 117.47 1h7h s VAL 144 Ca -0.14 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 57.95 1h7h s VAL 144 Cb -0.16 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1h7h s VAL 144 CO 0.06 -0.09 0.11 -0.46 -0.31 0.00 0.00 175.10 174.41 1h7h n ASN 145 N -0.88 0.44 0.22 4.85 0.23 -0.17 -4.86 115.26 115.09 1h7h n ASN 145 Ca -0.05 -1.23 0.06 0.00 -0.53 0.00 0.00 54.58 52.83 1h7h n ASN 145 Cb 0.65 -0.06 0.57 0.00 -2.08 0.00 0.00 39.78 38.86 1h7h n ASN 145 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1h7h h THR 146 N 0.08 1.06 -0.14 5.53 1.35 -2.02 -0.41 112.91 118.36 1h7h h THR 146 Ca -0.04 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1h7h h THR 146 Cb 0.18 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1h7h h THR 146 CO 0.06 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 175.95 1h7h n ARG 147 N -4.45 1.52 -1.22 4.72 1.74 -1.26 -4.90 116.66 112.81 1h7h n ARG 147 Ca -0.02 -0.78 -0.08 0.00 -0.77 0.00 0.00 57.85 56.20 1h7h n ARG 147 Cb 0.15 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1h7h n ARG 147 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1h7h n GLN 148 N 0.03 -0.58 -2.78 5.56 6.02 -0.16 -4.90 117.38 120.57 1h7h n GLN 148 Ca 0.14 0.75 -0.40 0.00 -0.01 0.00 0.00 57.00 57.48 1h7h n GLN 148 Cb 0.24 -4.58 -0.06 0.00 1.02 0.00 0.00 30.24 26.86 1h7h n GLN 148 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h7h s ASP 149 N -2.86 7.60 0.14 1.08 1.01 -1.26 -0.81 116.67 121.58 1h7h s ASP 149 Ca 0.00 1.90 -0.30 0.00 0.71 0.00 0.00 52.55 54.85 1h7h s ASP 149 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 1h7h s ASP 149 CO 0.00 0.15 1.19 0.00 0.21 0.00 0.00 175.17 176.72 1h7h s ALA 150 N -1.10 3.42 -0.11 5.23 0.00 -0.50 -1.00 121.76 127.69 1h7h s ALA 150 Ca 0.41 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1h7h s ALA 150 Cb -0.25 -3.42 -0.27 0.00 0.00 0.00 0.00 23.12 19.18 1h7h s ALA 150 CO 0.31 -0.37 0.41 -0.07 0.00 0.00 0.00 175.76 176.03 1h7h h LEU 151 N 5.74 0.43 -7.00 0.00 3.38 -0.59 -3.45 115.31 113.81 1h7h h LEU 151 Ca -0.44 -0.93 0.09 0.00 0.09 0.00 0.00 57.88 56.70 1h7h h LEU 151 Cb 1.21 -0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 1h7h h LEU 151 CO 0.77 1.83 0.52 -0.47 0.09 0.00 0.00 178.44 181.17 1h7h s TYR 152 N -2.55 -0.36 -0.07 1.13 5.04 -1.22 -5.03 117.35 114.29 1h7h s TYR 152 Ca -0.22 0.45 0.05 0.00 -2.44 0.00 0.00 57.07 54.91 1h7h s TYR 152 Cb 0.06 0.49 -0.01 0.00 0.35 0.00 0.00 41.96 42.85 1h7h s TYR 152 CO 0.77 -0.44 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.26 1h7h s PHE 153 N -2.05 2.52 0.11 4.97 0.40 -1.26 -2.44 117.98 120.23 1h7h s PHE 153 Ca 0.01 -0.65 -0.19 0.00 -0.60 0.00 0.00 56.93 55.50 1h7h s PHE 153 Cb -0.01 -1.63 0.05 0.00 0.51 0.00 0.00 43.02 41.93 1h7h s PHE 153 CO -0.03 -0.17 0.47 0.45 0.70 0.00 0.00 175.22 176.64 1h7h s SER 154 N -0.16 -0.35 0.08 1.36 0.15 -0.20 -4.98 113.70 109.59 1h7h s SER 154 Ca -0.03 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.73 1h7h s SER 154 Cb -0.14 0.50 0.42 0.00 -1.71 0.00 0.00 66.02 65.09 1h7h s SER 154 CO 0.04 -0.84 1.36 0.54 1.20 0.00 0.00 173.24 175.54 1h7h n ARG 155 N -0.09 0.20 -2.80 5.44 1.74 -1.26 -0.39 116.66 119.50 1h7h n ARG 155 Ca -0.17 0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.64 1h7h n ARG 155 Cb 0.63 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.38 1h7h n ARG 155 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1h7h s SER 156 N -3.82 6.90 -0.53 0.55 0.01 -1.26 -4.26 113.70 111.30 1h7h s SER 156 Ca 0.08 1.70 -0.27 0.00 1.31 0.00 0.00 55.95 58.76 1h7h s SER 156 Cb 0.15 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 1h7h s SER 156 CO 0.71 -0.39 1.70 -2.84 0.41 0.00 0.00 173.24 172.83 1h7h s PRO 157 N -3.21 3.02 -0.06 12.44 0.02 -1.26 -4.74 135.00 141.21 1h7h s PRO 157 Ca 0.62 0.75 0.05 0.00 0.02 0.00 0.00 61.00 62.44 1h7h s PRO 157 Cb -0.09 -4.26 -0.00 0.00 0.02 0.00 0.00 34.50 30.17 1h7h s PRO 157 CO 0.14 -2.26 -0.21 0.96 -0.33 0.00 0.00 177.00 175.29 1h7h s ILE 158 N 7.56 1.77 0.48 2.83 -4.36 -1.26 -3.43 121.20 124.78 1h7h s ILE 158 Ca 0.65 -0.89 -0.21 0.00 -0.26 0.00 0.00 60.65 59.94 1h7h s ILE 158 Cb -0.14 -1.52 -0.08 0.00 1.25 0.00 0.00 42.46 41.97 1h7h s ILE 158 CO 0.25 0.50 1.05 -2.16 0.24 0.00 0.00 174.94 174.82 1h7h s PRO 159 N 0.08 3.81 0.23 0.37 0.04 -1.26 -4.69 135.00 133.57 1h7h s PRO 159 Ca -0.08 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1h7h s PRO 159 Cb -0.14 -2.16 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 1h7h s PRO 159 CO 0.04 -0.43 1.62 -0.47 0.04 0.00 0.00 177.00 177.80 1h7h s TYR 160 N -1.90 2.91 -1.55 0.56 5.04 -1.22 -4.89 117.35 116.30 1h7h s TYR 160 Ca 0.66 0.61 -0.12 0.00 -2.44 0.00 0.00 57.07 55.79 1h7h s TYR 160 Cb -0.18 -4.03 -0.03 0.00 0.35 0.00 0.00 41.96 38.07 1h7h s TYR 160 CO 0.22 -3.71 2.61 -0.35 -1.34 0.00 0.00 175.55 172.99 1h7h n PRO 161 N 3.29 3.32 -0.14 4.97 -0.04 -1.26 -4.62 135.00 140.51 1h7h n PRO 161 Ca 0.12 -2.41 -0.10 0.00 -0.04 0.00 0.00 63.50 61.08 1h7h n PRO 161 Cb 0.37 -3.03 -0.01 0.00 -0.04 0.00 0.00 33.50 30.79 1h7h n PRO 161 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1h7h h ARG 162 N 5.47 0.67 -3.42 0.54 9.65 -2.02 -3.26 114.38 122.01 1h7h h ARG 162 Ca 0.73 -0.19 -0.67 0.00 -1.10 0.00 0.00 59.98 58.76 1h7h h ARG 162 Cb 0.45 -0.08 -0.38 0.00 -1.39 0.00 0.00 29.97 28.57 1h7h h ARG 162 CO 1.83 0.73 -0.46 -0.80 2.80 0.00 0.00 179.97 184.07 1h7h s ASN 163 N -6.10 4.90 0.24 -3.80 0.01 -1.26 -4.98 114.94 103.94 1h7h s ASN 163 Ca -0.13 -3.11 -0.08 0.00 -0.71 0.00 0.00 52.86 48.83 1h7h s ASN 163 Cb 0.10 -1.75 0.40 0.00 0.41 0.00 0.00 41.25 40.40 1h7h s ASN 163 CO 0.78 -0.27 1.64 0.00 -1.51 0.00 0.00 177.10 177.74 1h7h h ALA 164 N 6.55 0.73 0.00 0.60 0.00 -1.93 -1.22 119.26 124.00 1h7h h ALA 164 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1h7h h ALA 164 Cb 0.90 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1h7h h ALA 164 CO 0.72 -0.42 0.00 -0.85 0.00 0.00 0.00 179.25 178.70 1h7h n GLU 165 N -5.34 0.09 0.00 0.00 0.00 -1.26 -2.08 120.64 112.05 1h7h n GLU 165 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.76 1h7h n GLU 165 Cb 0.44 -1.74 -0.11 0.00 0.00 0.00 0.00 31.44 30.04 1h7h n GLU 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1h7h n LYS 166 N -1.92 0.64 -2.17 3.44 4.76 -0.47 -4.95 118.16 117.49 1h7h n LYS 166 Ca 0.01 0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.15 1h7h n LYS 166 Cb 0.10 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.56 1h7h n LYS 166 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h7h s ALA 167 N -2.95 3.54 -0.05 7.82 0.00 -0.89 -5.04 121.76 124.20 1h7h s ALA 167 Ca -0.05 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1h7h s ALA 167 Cb 0.09 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1h7h s ALA 167 CO 0.83 -0.58 -0.11 0.50 0.00 0.00 0.00 175.76 176.40 1h7h s ARG 168 N -0.46 1.35 0.05 0.00 3.52 -1.26 -5.03 118.95 117.12 1h7h s ARG 168 Ca 0.56 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.85 1h7h s ARG 168 Cb -0.38 -1.18 -0.04 0.00 -1.56 0.00 0.00 34.95 31.79 1h7h s ARG 168 CO 0.41 0.06 -0.06 0.71 -0.81 0.00 0.00 175.30 175.62 1h7h s TYR 169 N 0.48 2.88 -0.05 5.12 2.02 -1.26 -4.62 117.35 121.92 1h7h s TYR 169 Ca -0.09 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1h7h s TYR 169 Cb -0.13 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1h7h s TYR 169 CO 0.02 0.41 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.76 1h7h s LEU 170 N -1.81 1.80 -0.16 -1.29 1.43 -1.26 -2.07 118.68 115.32 1h7h s LEU 170 Ca 0.20 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1h7h s LEU 170 Cb -0.11 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1h7h s LEU 170 CO 0.11 0.09 0.11 -0.75 0.23 0.00 0.00 176.35 176.14 1h7h s LYS 171 N 0.29 3.78 -0.00 1.70 2.20 0.67 -1.97 119.74 126.40 1h7h s LYS 171 Ca -0.08 -0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1h7h s LYS 171 Cb -0.12 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1h7h s LYS 171 CO 0.02 0.49 1.04 -1.58 -0.36 0.00 0.00 175.35 174.97 1h7h s HIS 172 N -0.23 3.57 -0.34 4.03 5.65 0.06 -1.26 115.29 126.78 1h7h s HIS 172 Ca 0.10 1.58 -0.10 0.00 0.25 0.00 0.00 55.06 56.88 1h7h s HIS 172 Cb -0.12 -3.20 0.01 0.00 -1.18 0.00 0.00 32.58 28.08 1h7h s HIS 172 CO 0.01 -0.36 0.18 0.08 -0.65 0.00 0.00 174.74 174.00 1h7h s VAL 173 N 1.22 4.66 0.00 0.89 1.01 -0.10 -4.79 120.40 123.28 1h7h s VAL 173 Ca 0.53 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1h7h s VAL 173 Cb -0.23 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1h7h s VAL 173 CO 0.27 -0.07 0.10 0.61 0.00 0.00 0.00 175.10 176.01 1h7h n GLY 174 N 5.00 0.54 3.50 4.51 0.00 -1.26 -3.53 105.19 113.96 1h7h n GLY 174 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1h7h n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h7h s ILE 175 N 1.98 3.59 0.12 -0.61 1.01 -1.26 -4.67 121.20 121.35 1h7h s ILE 175 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1h7h s ILE 175 Cb 0.00 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1h7h s ILE 175 CO 0.00 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.05 1h7h s TYR 176 N -0.19 1.32 -0.09 3.97 1.51 -1.11 -3.58 117.35 119.18 1h7h s TYR 176 Ca 0.02 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1h7h s TYR 176 Cb -0.13 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1h7h s TYR 176 CO 0.03 0.11 -0.09 0.00 -1.11 0.00 0.00 175.55 174.49 1h7h s ALA 177 N -2.28 1.27 0.00 3.71 0.00 -0.55 -0.15 121.76 123.76 1h7h s ALA 177 Ca 0.09 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1h7h s ALA 177 Cb -0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1h7h s ALA 177 CO 0.02 -0.20 -0.24 0.71 0.00 0.00 0.00 175.76 176.05 1h7h s TYR 178 N 1.27 2.18 0.43 0.00 2.02 0.66 -1.90 117.35 122.02 1h7h s TYR 178 Ca -0.03 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.05 1h7h s TYR 178 Cb -0.14 -1.37 -0.10 0.00 -0.40 0.00 0.00 41.96 39.95 1h7h s TYR 178 CO -0.03 0.02 0.97 0.50 -1.57 0.00 0.00 175.55 175.43 1h7h s ARG 179 N -0.80 4.17 0.26 -0.62 6.06 -0.68 -0.51 118.95 126.83 1h7h s ARG 179 Ca 0.10 1.19 -0.01 0.00 -2.50 0.00 0.00 55.73 54.50 1h7h s ARG 179 Cb -0.09 -2.21 0.49 0.00 0.06 0.00 0.00 34.95 33.19 1h7h s ARG 179 CO 0.00 -0.09 1.81 -0.09 -2.50 0.00 0.00 175.30 174.43 1h7h h ARG 180 N 1.93 0.82 -0.08 5.12 2.43 -1.09 -2.39 114.38 121.14 1h7h h ARG 180 Ca -0.49 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1h7h h ARG 180 Cb 1.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1h7h h ARG 180 CO 0.61 0.54 -0.01 0.38 -1.51 0.00 0.00 179.97 179.98 1h7h h ASP 181 N 0.84 0.09 -0.40 -3.80 2.03 -1.93 -1.77 116.42 111.49 1h7h h ASP 181 Ca 0.45 -0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.70 1h7h h ASP 181 Cb 0.47 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 38.93 1h7h h ASP 181 CO -0.28 0.13 0.06 0.58 -1.03 0.00 0.00 179.24 178.70 1h7h h VAL 182 N 0.11 1.24 -0.17 4.15 2.07 -1.78 -2.60 116.25 119.26 1h7h h VAL 182 Ca 0.03 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1h7h h VAL 182 Cb 0.09 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1h7h h VAL 182 CO 0.00 0.30 -0.33 -0.07 0.02 0.00 0.00 177.57 177.49 1h7h h LEU 183 N 0.51 0.36 -1.37 2.57 3.38 -1.40 -1.57 115.31 117.80 1h7h h LEU 183 Ca 0.12 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1h7h h LEU 183 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1h7h h LEU 183 CO 0.01 0.67 -0.31 1.56 0.09 0.00 0.00 178.44 180.47 1h7h h GLN 184 N 0.31 0.00 -0.02 1.13 4.20 -1.14 -2.94 115.11 116.64 1h7h h GLN 184 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1h7h h GLN 184 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1h7h h GLN 184 CO 0.06 0.31 -0.27 0.09 -0.67 0.00 0.00 178.83 178.34 1h7h n ASN 185 N -3.92 2.41 -0.15 1.46 3.02 -1.00 -4.64 115.26 112.44 1h7h n ASN 185 Ca -0.02 -1.71 -0.04 0.00 -0.03 0.00 0.00 54.58 52.79 1h7h n ASN 185 Cb 0.38 0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.87 1h7h n ASN 185 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1h7h h TYR 186 N 3.36 0.26 0.00 3.10 3.20 -1.10 -2.47 116.97 123.31 1h7h h TYR 186 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1h7h h TYR 186 Cb 0.85 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1h7h h TYR 186 CO 0.00 0.08 0.00 -1.13 -1.64 0.00 0.00 178.16 175.47 1h7h n SER 187 N -5.03 0.59 0.04 -2.11 3.41 -1.26 -1.82 113.62 107.44 1h7h n SER 187 Ca 0.04 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1h7h n SER 187 Cb 0.19 -0.82 0.15 0.00 -0.26 0.00 0.00 64.21 63.46 1h7h n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h7h n GLN 188 N -2.24 0.23 -2.35 4.33 6.02 -0.93 -4.90 117.38 117.55 1h7h n GLN 188 Ca -0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1h7h n GLN 188 Cb 0.10 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 1h7h n GLN 188 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h7h s LEU 189 N -3.88 4.33 0.47 1.08 1.43 -0.75 -5.01 118.68 116.33 1h7h s LEU 189 Ca 0.06 2.02 -0.20 0.00 -1.03 0.00 0.00 54.13 54.98 1h7h s LEU 189 Cb 0.14 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1h7h s LEU 189 CO 0.74 -0.60 0.99 -2.16 0.23 0.00 0.00 176.35 175.55 1h7h s PRO 190 N 1.79 4.00 0.49 1.29 0.04 -1.26 -5.02 135.00 136.33 1h7h s PRO 190 Ca 0.60 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1h7h s PRO 190 Cb -0.29 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 1h7h s PRO 190 CO 0.26 -0.23 1.13 -1.21 0.04 0.00 0.00 177.00 176.99 1h7h s GLU 191 N -3.38 3.65 0.19 4.56 2.02 -1.26 -4.94 118.70 119.55 1h7h s GLU 191 Ca 0.63 1.67 0.07 0.00 0.02 0.00 0.00 54.97 57.36 1h7h s GLU 191 Cb -0.12 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1h7h s GLU 191 CO 0.19 -0.62 0.06 -1.54 0.02 0.00 0.00 175.26 173.38 1h7h s SER 192 N -1.56 5.05 0.15 -0.19 1.04 -1.26 -5.03 113.70 111.89 1h7h s SER 192 Ca 0.67 -0.34 -0.17 0.00 0.48 0.00 0.00 55.95 56.59 1h7h s SER 192 Cb -0.26 -1.16 0.04 0.00 0.10 0.00 0.00 66.02 64.74 1h7h s SER 192 CO 0.30 0.05 1.74 -0.03 0.98 0.00 0.00 173.24 176.29 1h7h h MET 193 N 2.35 0.20 -0.56 4.02 4.05 -1.97 -0.90 114.93 122.12 1h7h h MET 193 Ca -0.47 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 58.92 1h7h h MET 193 Cb 1.21 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 1h7h h MET 193 CO 0.60 0.13 0.26 -1.35 0.23 0.00 0.00 176.91 176.78 1h7h h PRO 194 N 0.20 0.78 -0.12 0.39 0.11 -1.95 -0.35 132.00 131.06 1h7h h PRO 194 Ca 0.15 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1h7h h PRO 194 Cb 0.14 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1h7h h PRO 194 CO -0.18 0.61 0.07 1.49 -0.21 0.00 0.00 178.00 179.78 1h7h h GLU 195 N 0.79 0.17 -0.21 1.05 4.81 -1.60 -1.01 114.58 118.58 1h7h h GLU 195 Ca 0.20 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1h7h h GLU 195 Cb 0.09 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1h7h h GLU 195 CO -0.03 0.20 -0.29 1.96 -0.73 0.00 0.00 179.01 180.13 1h7h h GLN 196 N 0.10 0.41 -0.04 1.92 4.20 -0.83 0.34 115.11 121.21 1h7h h GLN 196 Ca 0.04 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1h7h h GLN 196 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1h7h h GLN 196 CO -0.01 0.66 -0.27 0.00 -0.67 0.00 0.00 178.83 178.54 1h7h h ALA 197 N 1.34 0.08 0.00 3.87 0.00 -0.94 -3.33 119.26 120.28 1h7h h ALA 197 Ca 0.05 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 1h7h h ALA 197 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1h7h h ALA 197 CO 0.05 0.12 -0.99 0.93 0.00 0.00 0.00 179.25 179.36 1h7h h GLU 198 N -0.31 0.00 -4.11 0.00 4.39 -1.21 -3.48 114.58 109.85 1h7h h GLU 198 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1h7h h GLU 198 Cb 0.96 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.70 1h7h h GLU 198 CO 0.06 0.99 -0.43 0.45 -1.16 0.00 0.00 179.01 178.92 1h7h n SER 199 N -3.36 -3.43 -3.74 1.42 2.88 0.12 -4.93 113.62 102.58 1h7h n SER 199 Ca -0.00 -0.35 -0.28 0.00 -1.33 0.00 0.00 58.87 56.91 1h7h n SER 199 Cb 0.93 -2.92 -0.16 0.00 -0.75 0.00 0.00 64.21 61.31 1h7h n SER 199 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1h7h s LEU 200 N -4.24 1.46 0.51 2.46 1.43 -1.05 -5.04 118.68 114.21 1h7h s LEU 200 Ca 0.14 -1.02 0.16 0.00 -1.03 0.00 0.00 54.13 52.38 1h7h s LEU 200 Cb -0.02 -0.68 1.24 0.00 0.03 0.00 0.00 46.19 46.76 1h7h s LEU 200 CO 0.38 -0.33 2.13 -0.08 0.23 0.00 0.00 176.35 178.68 1h7h h GLU 201 N 8.20 0.00 0.00 1.70 4.81 -1.97 -2.52 114.58 124.80 1h7h h GLU 201 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1h7h h GLU 201 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1h7h h GLU 201 CO 0.37 0.03 0.00 -0.56 -0.73 0.00 0.00 179.01 178.12 1h7h h GLN 202 N 0.00 0.00 0.00 1.92 -0.00 -1.98 -1.72 115.11 113.33 1h7h h GLN 202 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1h7h h GLN 202 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 1h7h h GLN 202 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.11 1h7h n LEU 203 N -2.68 0.37 0.08 0.06 4.77 -0.95 -2.31 117.00 116.34 1h7h n LEU 203 Ca -0.00 0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 56.51 1h7h n LEU 203 Cb 0.18 -0.51 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1h7h n LEU 203 CO 0.20 -0.34 0.49 -0.09 -1.33 0.00 0.00 177.39 176.33 1h7h h ARG 204 N 0.00 0.24 -0.08 3.23 2.43 -1.50 -1.97 114.38 116.73 1h7h h ARG 204 Ca 0.00 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1h7h h ARG 204 Cb 0.39 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1h7h h ARG 204 CO 0.00 0.76 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.90 1h7h h LEU 205 N 0.18 0.36 -1.33 3.80 3.38 -1.63 -3.13 115.31 116.94 1h7h h LEU 205 Ca -0.00 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 1h7h h LEU 205 Cb 1.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1h7h h LEU 205 CO 0.09 0.90 0.14 0.24 0.09 0.00 0.00 178.44 179.90 1h7h h MET 206 N -0.16 0.60 -0.66 1.13 2.86 -1.52 -1.87 114.93 115.31 1h7h h MET 206 Ca -0.01 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1h7h h MET 206 Cb 0.86 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1h7h h MET 206 CO 0.05 0.52 0.27 -0.97 1.06 0.00 0.00 176.91 177.84 1h7h h ASN 207 N 0.59 0.87 0.11 1.22 -1.24 -1.38 -1.46 115.58 114.30 1h7h h ASN 207 Ca 0.14 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1h7h h ASN 207 Cb 0.16 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1h7h h ASN 207 CO -0.01 0.78 -0.01 0.00 -1.29 0.00 0.00 177.43 176.90 1h7h n ALA 208 N -2.44 2.65 -0.88 1.57 0.00 -0.87 -4.90 120.51 115.63 1h7h n ALA 208 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1h7h n ALA 208 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1h7h n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h7h n GLY 209 N 1.08 0.47 3.68 0.00 0.00 -0.55 -5.03 105.19 104.84 1h7h n GLY 209 Ca 0.21 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1h7h n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h7h s ILE 210 N -2.00 4.97 0.29 -0.61 1.01 -0.76 -5.01 121.20 119.09 1h7h s ILE 210 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 60.65 61.80 1h7h s ILE 210 Cb 0.00 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1h7h s ILE 210 CO 0.00 0.12 1.14 0.21 0.00 0.00 0.00 174.94 176.40 1h7h s ASN 211 N 1.07 7.17 -0.22 3.58 2.47 -1.26 -4.19 114.94 123.55 1h7h s ASN 211 Ca 0.35 2.34 -0.00 0.00 0.42 0.00 0.00 52.86 55.97 1h7h s ASN 211 Cb -0.17 -2.63 0.06 0.00 -1.45 0.00 0.00 41.25 37.06 1h7h s ASN 211 CO 0.13 -0.22 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.64 1h7h s ILE 212 N -1.17 1.23 0.03 -5.21 1.01 -1.26 -3.22 121.20 112.62 1h7h s ILE 212 Ca 0.45 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 1h7h s ILE 212 Cb -0.33 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 1h7h s ILE 212 CO 0.43 -0.14 0.63 -0.60 0.00 0.00 0.00 174.94 175.26 1h7h s ARG 213 N 1.53 4.35 -0.26 2.79 3.52 -0.50 -1.42 118.95 128.96 1h7h s ARG 213 Ca -0.04 0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 56.34 1h7h s ARG 213 Cb -0.18 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1h7h s ARG 213 CO -0.07 0.41 -0.01 0.99 -0.81 0.00 0.00 175.30 175.81 1h7h s THR 214 N -0.39 3.34 -0.11 4.11 2.01 0.01 -0.77 115.64 123.84 1h7h s THR 214 Ca 0.32 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 1h7h s THR 214 Cb -0.19 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1h7h s THR 214 CO 0.19 0.21 0.31 -0.36 -0.69 0.00 0.00 174.62 174.28 1h7h s PHE 215 N 1.41 3.55 -0.05 4.92 0.08 -0.36 -4.83 117.98 122.71 1h7h s PHE 215 Ca 0.02 0.70 -0.22 0.00 0.12 0.00 0.00 56.93 57.55 1h7h s PHE 215 Cb -0.16 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1h7h s PHE 215 CO -0.02 0.41 0.65 -2.00 -0.10 0.00 0.00 175.22 174.16 1h7h s GLU 216 N -0.14 4.40 0.40 0.44 2.12 -1.26 -1.92 118.70 122.75 1h7h s GLU 216 Ca 0.19 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.36 1h7h s GLU 216 Cb -0.14 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 1h7h s GLU 216 CO 0.07 0.17 0.14 0.14 -0.54 0.00 0.00 175.26 175.23 1h7h s VAL 217 N 0.48 0.57 0.66 3.70 -7.23 -0.18 -4.96 120.40 113.44 1h7h s VAL 217 Ca 0.35 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 1h7h s VAL 217 Cb -0.18 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1h7h s VAL 217 CO 0.17 0.00 1.05 0.00 -0.31 0.00 0.00 175.10 176.01 1h7h s ALA 218 N -3.23 2.78 0.15 1.32 0.00 -1.26 -4.37 121.76 117.15 1h7h s ALA 218 Ca 0.25 0.10 -0.34 0.00 0.00 0.00 0.00 51.96 51.97 1h7h s ALA 218 Cb 0.03 -3.16 -0.16 0.00 0.00 0.00 0.00 23.12 19.82 1h7h s ALA 218 CO 0.15 -1.04 1.16 0.00 0.00 0.00 0.00 175.76 176.03 1h7h n ALA 219 N -2.86 -1.10 -2.50 0.00 0.00 -1.26 -4.90 120.51 107.89 1h7h n ALA 219 Ca 0.07 0.48 -0.21 0.00 0.00 0.00 0.00 53.44 53.78 1h7h n ALA 219 Cb 0.54 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.98 1h7h n ALA 219 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1h7h s THR 220 N -0.10 4.31 0.67 0.00 -4.23 -1.26 -5.11 115.64 109.92 1h7h s THR 220 Ca 0.76 -0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1h7h s THR 220 Cb -0.90 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 69.40 1h7h s THR 220 CO 0.52 -0.28 1.07 -0.83 -0.54 0.00 0.00 174.62 174.55 1h7h s GLY 221 N -4.15 1.85 0.53 3.99 0.00 -1.26 -5.02 107.32 103.25 1h7h s GLY 221 Ca 0.44 0.24 -0.19 0.00 0.00 0.00 0.00 44.72 45.21 1h7h s GLY 221 CO 0.34 0.56 1.09 2.56 0.00 0.00 0.00 173.10 177.65 1h7h s PRO 222 N -4.65 3.52 0.71 2.90 0.04 -1.26 -4.96 135.00 131.30 1h7h s PRO 222 Ca 0.61 1.48 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1h7h s PRO 222 Cb -0.16 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.44 1h7h s PRO 222 CO 0.48 -0.69 1.00 0.20 0.04 0.00 0.00 177.00 178.03 1h7h s GLY 223 N -1.93 1.75 -0.46 0.56 0.00 -1.26 -4.77 107.32 101.21 1h7h s GLY 223 Ca 0.70 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 1h7h s GLY 223 CO 0.25 -0.80 0.25 0.14 0.00 0.00 0.00 173.10 172.94 1h7h s VAL 224 N -3.20 3.25 -0.06 1.40 1.01 -0.05 -4.76 120.40 117.99 1h7h s VAL 224 Ca 0.63 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1h7h s VAL 224 Cb -0.08 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1h7h s VAL 224 CO 0.44 -0.74 -0.06 0.47 0.00 0.00 0.00 175.10 175.22 1h7h n ASP 225 N 4.19 3.14 -4.65 3.32 9.92 -1.26 -4.91 116.55 126.30 1h7h n ASP 225 Ca 0.01 -0.02 -0.26 0.00 -0.53 0.00 0.00 54.79 53.99 1h7h n ASP 225 Cb 0.40 -0.11 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 1h7h n ASP 225 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1h7h s THR 226 N -2.13 3.61 -0.00 -3.53 -4.23 -1.26 -4.45 115.64 103.65 1h7h s THR 226 Ca -0.09 -1.53 0.28 0.00 -1.18 0.00 0.00 61.69 59.18 1h7h s THR 226 Cb 0.02 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.32 1h7h s THR 226 CO 0.14 -0.15 1.87 1.55 -0.54 0.00 0.00 174.62 177.49 1h7h h PRO 227 N 2.60 0.00 0.02 3.99 0.13 -1.97 -1.50 132.00 135.27 1h7h h PRO 227 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 1h7h h PRO 227 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1h7h h PRO 227 CO 0.58 0.00 -0.79 0.00 -0.23 0.00 0.00 178.00 177.55 1h7h h ALA 228 N 2.03 0.07 -0.31 -0.56 0.00 -2.00 -2.90 119.26 115.61 1h7h h ALA 228 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1h7h h ALA 228 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1h7h h ALA 228 CO 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 1h7h h LEU 230 N 0.51 1.12 -0.90 0.00 5.85 -1.38 -0.55 115.31 119.96 1h7h h LEU 230 Ca 0.08 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1h7h h LEU 230 Cb 0.64 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1h7h h LEU 230 CO 0.05 0.91 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.24 1h7h h GLU 231 N 1.25 0.16 -0.15 1.25 4.39 -1.29 -1.97 114.58 118.21 1h7h h GLU 231 Ca 0.31 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.77 1h7h h GLU 231 Cb 0.04 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1h7h h GLU 231 CO -0.05 0.61 -0.52 -0.22 -1.16 0.00 0.00 179.01 177.67 1h7h h LYS 232 N 0.13 0.61 -0.66 2.33 3.64 -1.10 -2.62 116.57 118.89 1h7h h LYS 232 Ca 0.01 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1h7h h LYS 232 Cb 0.90 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1h7h h LYS 232 CO 0.07 1.08 0.12 0.28 -2.27 0.00 0.00 179.45 178.73 1h7h h VAL 233 N 0.27 1.26 -0.56 2.00 2.07 -1.05 -0.45 116.25 119.78 1h7h h VAL 233 Ca -0.02 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1h7h h VAL 233 Cb 1.14 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1h7h h VAL 233 CO 0.11 0.38 0.35 0.03 0.02 0.00 0.00 177.57 178.46 1h7h h ARG 234 N 1.02 0.74 -0.25 1.57 3.08 -1.36 0.17 114.38 119.35 1h7h h ARG 234 Ca 0.21 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1h7h h ARG 234 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1h7h h ARG 234 CO 0.01 0.51 0.08 0.00 -1.07 0.00 0.00 179.97 179.51 1h7h h ALA 235 N 1.19 0.33 -0.66 0.04 0.00 -1.16 -1.78 119.26 117.22 1h7h h ALA 235 Ca 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1h7h h ALA 235 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1h7h h ALA 235 CO -0.04 -0.05 0.25 -0.07 0.00 0.00 0.00 179.25 179.33 1h7h h LEU 236 N 0.24 0.90 -0.20 0.00 3.38 -0.68 -2.55 115.31 116.41 1h7h h LEU 236 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h7h h LEU 236 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1h7h h LEU 236 CO -0.00 0.82 0.00 0.24 0.09 0.00 0.00 178.44 179.58 1h7h h MET 237 N 0.96 0.00 0.00 1.13 2.86 -0.58 -2.95 114.93 116.35 1h7h h MET 237 Ca 0.22 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1h7h h MET 237 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1h7h h MET 237 CO -0.02 0.00 -0.12 0.00 1.06 0.00 0.00 176.91 177.84 1h7h h ALA 238 N 2.09 0.01 0.00 6.32 0.00 -0.93 -3.26 119.26 123.49 1h7h h ALA 238 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1h7h h ALA 238 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h7h h ALA 238 CO 0.00 -0.01 0.00 -0.56 0.00 0.00 0.00 179.25 178.68 1h7h h GLN 239 N -0.68 0.00 -0.21 0.00 3.07 -1.55 -2.37 115.11 113.38 1h7h h GLN 239 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1h7h h GLN 239 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1h7h h GLN 239 CO 0.02 0.00 0.00 -1.91 0.09 0.00 0.00 178.83 177.03 1h7h n GLU 240 N -3.06 0.76 0.00 0.06 2.13 -1.12 -5.13 120.64 114.28 1h7h n GLU 240 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1h7h n GLU 240 Cb 0.27 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1h7h n GLU 240 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00