#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7t s LYS 2 N 0.00 4.42 -0.03 -1.46 2.20 -1.26 -4.95 119.74 118.67 1h7t s LYS 2 Ca 0.00 1.67 0.05 0.00 -0.36 0.00 0.00 55.97 57.33 1h7t s LYS 2 Cb 0.00 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1h7t s LYS 2 CO 0.00 -0.29 -0.19 0.00 -0.36 0.00 0.00 175.35 174.51 1h7t s ALA 3 N 1.48 1.65 0.06 3.13 0.00 -1.26 -0.52 121.76 126.30 1h7t s ALA 3 Ca 0.56 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1h7t s ALA 3 Cb -0.26 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1h7t s ALA 3 CO 0.26 0.35 -0.13 0.14 0.00 0.00 0.00 175.76 176.38 1h7t s VAL 4 N -0.21 1.01 -0.18 0.00 -7.23 -0.79 -0.54 120.40 112.46 1h7t s VAL 4 Ca 0.01 -1.20 -0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1h7t s VAL 4 Cb -0.10 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1h7t s VAL 4 CO 0.01 -0.21 0.04 -0.63 -0.31 0.00 0.00 175.10 174.00 1h7t s ILE 5 N -1.20 4.57 -0.08 -0.62 1.01 -0.37 -1.35 121.20 123.16 1h7t s ILE 5 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1h7t s ILE 5 Cb -0.10 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1h7t s ILE 5 CO 0.02 0.46 -0.19 -0.69 0.00 0.00 0.00 174.94 174.54 1h7t s VAL 6 N 0.43 2.58 -0.29 2.92 1.01 0.61 -1.05 120.40 126.61 1h7t s VAL 6 Ca 0.02 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1h7t s VAL 6 Cb -0.13 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.33 1h7t s VAL 6 CO 0.01 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 1h7t s ILE 7 N -0.13 2.16 -0.04 2.22 1.01 0.61 -1.81 121.20 125.22 1h7t s ILE 7 Ca -0.03 -1.91 -0.30 0.00 0.00 0.00 0.00 60.65 58.41 1h7t s ILE 7 Cb -0.14 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1h7t s ILE 7 CO 0.04 -0.28 1.41 -2.84 0.00 0.00 0.00 174.94 173.26 1h7t s PRO 8 N 1.04 4.26 -0.43 2.79 0.02 -1.24 -0.27 135.00 141.17 1h7t s PRO 8 Ca -0.00 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.00 1h7t s PRO 8 Cb -0.19 -3.67 0.18 0.00 0.02 0.00 0.00 34.50 30.83 1h7t s PRO 8 CO -0.07 -0.63 0.37 0.00 -0.33 0.00 0.00 177.00 176.34 1h7t n ALA 9 N 5.85 2.88 -1.80 -1.55 0.00 0.51 -3.08 120.51 123.32 1h7t n ALA 9 Ca 0.14 -3.25 -0.33 0.00 0.00 0.00 0.00 53.44 49.99 1h7t n ALA 9 Cb 0.44 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1h7t n ALA 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1h7t s ARG 10 N -0.18 3.90 0.04 0.00 1.70 -1.26 -4.18 118.95 118.97 1h7t s ARG 10 Ca 0.33 1.23 -0.20 0.00 -0.47 0.00 0.00 55.73 56.62 1h7t s ARG 10 Cb 0.04 -2.12 -0.14 0.00 -0.57 0.00 0.00 34.95 32.16 1h7t s ARG 10 CO -0.19 -0.33 1.35 -0.92 -1.08 0.00 0.00 175.30 174.14 1h7t h TYR 11 N 1.51 0.42 -4.22 5.89 3.20 -1.93 -3.42 116.97 118.42 1h7t h TYR 11 Ca -0.49 -0.12 -0.52 0.00 3.14 0.00 0.00 58.73 60.74 1h7t h TYR 11 Cb 1.20 -0.09 0.13 0.00 1.54 0.00 0.00 36.73 39.51 1h7t h TYR 11 CO 0.59 0.74 0.35 0.20 -1.64 0.00 0.00 178.16 178.40 1h7t s GLY 12 N -3.41 2.06 -0.29 1.82 0.00 -1.26 -0.90 107.32 105.34 1h7t s GLY 12 Ca -0.14 0.57 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 1h7t s GLY 12 CO 0.75 0.94 1.07 -0.45 0.00 0.00 0.00 173.10 175.41 1h7t s SER 13 N -2.63 -0.37 0.53 1.64 0.15 -1.26 -4.80 113.70 106.95 1h7t s SER 13 Ca 0.67 0.61 0.23 0.00 0.70 0.00 0.00 55.95 58.17 1h7t s SER 13 Cb -0.22 1.06 1.44 0.00 -1.71 0.00 0.00 66.02 66.59 1h7t s SER 13 CO 0.47 -0.10 2.13 0.77 1.20 0.00 0.00 173.24 177.71 1h7t h SER 14 N 5.48 0.00 0.00 5.45 4.64 -1.98 -3.11 113.55 124.03 1h7t h SER 14 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1h7t h SER 14 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1h7t h SER 14 CO 0.20 0.08 -1.30 0.54 -0.87 0.00 0.00 176.83 175.47 1h7t n ARG 15 N -4.02 0.79 -3.18 4.77 5.12 -1.26 -4.86 116.66 114.01 1h7t n ARG 15 Ca -0.03 -0.08 -0.22 0.00 -1.93 0.00 0.00 57.85 55.60 1h7t n ARG 15 Cb 0.16 -1.19 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 1h7t n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h7t n LEU 16 N -1.75 -0.51 -4.65 0.55 4.77 -1.19 -4.72 117.00 109.50 1h7t n LEU 16 Ca -0.01 -4.37 -0.46 0.00 -0.03 0.00 0.00 56.01 51.14 1h7t n LEU 16 Cb 0.23 0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1h7t n LEU 16 CO 0.20 2.00 1.00 -2.65 -1.33 0.00 0.00 177.39 176.61 1h7t n PRO 17 N 1.92 1.90 -2.20 3.23 -0.02 -1.18 -1.64 135.00 137.01 1h7t n PRO 17 Ca 0.22 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.28 1h7t n PRO 17 Cb 0.53 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1h7t n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h7t n GLY 18 N 2.36 -0.06 0.30 -1.23 0.00 -0.08 -4.95 105.19 101.53 1h7t n GLY 18 Ca 0.13 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1h7t n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h7t h LYS 19 N 0.00 0.17 0.00 1.61 3.64 -1.27 -1.22 116.57 119.50 1h7t h LYS 19 Ca -0.25 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1h7t h LYS 19 Cb 1.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1h7t h LYS 19 CO 0.29 0.11 0.00 -1.00 -2.27 0.00 0.00 179.45 176.59 1h7t h PRO 20 N 0.17 0.00 -0.19 1.90 0.13 -1.83 -2.52 132.00 129.66 1h7t h PRO 20 Ca 0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.64 1h7t h PRO 20 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1h7t h PRO 20 CO -0.66 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.39 1h7t n LEU 21 N -3.06 2.53 -4.74 1.56 4.77 -0.46 -1.80 117.00 115.81 1h7t n LEU 21 Ca -0.01 -1.00 -0.41 0.00 -0.03 0.00 0.00 56.01 54.56 1h7t n LEU 21 Cb 0.17 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1h7t n LEU 21 CO 0.23 0.50 1.00 -0.76 -1.33 0.00 0.00 177.39 177.02 1h7t s LEU 22 N -1.70 4.42 -0.16 2.23 1.43 -0.95 -4.66 118.68 119.28 1h7t s LEU 22 Ca 0.34 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.63 1h7t s LEU 22 Cb 0.20 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1h7t s LEU 22 CO 0.30 -0.55 1.18 -0.62 0.23 0.00 0.00 176.35 176.90 1h7t s ASP 23 N 0.20 7.02 -0.26 2.29 2.15 -1.26 -0.85 116.67 125.96 1h7t s ASP 23 Ca 0.56 1.63 0.03 0.00 0.43 0.00 0.00 52.55 55.19 1h7t s ASP 23 Cb -0.38 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.76 1h7t s ASP 23 CO 0.41 -0.69 -0.11 -0.63 -0.17 0.00 0.00 175.17 173.98 1h7t s ILE 24 N 3.11 2.14 -1.53 4.11 1.01 0.78 -4.80 121.20 126.01 1h7t s ILE 24 Ca 0.52 -1.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 1h7t s ILE 24 Cb -0.20 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1h7t s ILE 24 CO 0.14 -0.03 0.06 1.33 0.00 0.00 0.00 174.94 176.44 1h7t n VAL 25 N 4.44 -1.28 0.00 2.92 0.24 -1.26 -2.12 118.33 121.27 1h7t n VAL 25 Ca -0.14 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1h7t n VAL 25 Cb 0.42 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1h7t n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h7t n GLY 26 N -2.51 2.97 3.18 7.63 0.00 -1.26 -5.07 105.19 110.13 1h7t n GLY 26 Ca -0.32 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1h7t n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7t s LYS 27 N -0.86 0.86 0.47 1.61 1.02 -0.90 -5.08 119.74 116.85 1h7t s LYS 27 Ca 0.00 -1.04 -0.23 0.00 0.02 0.00 0.00 55.97 54.72 1h7t s LYS 27 Cb 0.00 -0.79 -0.07 0.00 -0.52 0.00 0.00 37.83 36.45 1h7t s LYS 27 CO 0.00 0.17 1.23 -1.25 -0.92 0.00 0.00 175.35 174.58 1h7t s PRO 28 N -2.06 3.63 0.31 -1.68 0.04 -1.26 -0.16 135.00 133.82 1h7t s PRO 28 Ca 0.01 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1h7t s PRO 28 Cb -0.08 -2.42 0.82 0.00 0.04 0.00 0.00 34.50 32.86 1h7t s PRO 28 CO 0.02 -0.71 1.73 1.98 0.04 0.00 0.00 177.00 180.07 1h7t h MET 29 N 1.99 0.57 -0.22 4.56 4.05 -0.79 -0.50 114.93 124.58 1h7t h MET 29 Ca -0.50 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 58.88 1h7t h MET 29 Cb 1.26 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 1h7t h MET 29 CO 0.60 0.38 0.09 0.97 0.23 0.00 0.00 176.91 179.17 1h7t h ILE 30 N 0.59 1.09 -0.47 1.77 6.09 -1.58 -1.98 117.51 123.01 1h7t h ILE 30 Ca 0.61 -0.29 -0.10 0.00 -1.37 0.00 0.00 64.86 63.71 1h7t h ILE 30 Cb 1.12 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 1h7t h ILE 30 CO -0.46 0.11 -0.12 -0.61 -3.07 0.00 0.00 178.15 174.00 1h7t h GLN 31 N 0.31 0.87 -0.65 2.19 4.15 -1.36 -1.48 115.11 119.14 1h7t h GLN 31 Ca 0.08 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1h7t h GLN 31 Cb 0.07 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1h7t h GLN 31 CO -0.01 0.94 0.34 0.45 -1.93 0.00 0.00 178.83 178.63 1h7t h HIS 32 N 0.78 0.90 -0.30 3.99 3.86 -1.33 0.18 115.15 123.23 1h7t h HIS 32 Ca 0.13 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1h7t h HIS 32 Cb 0.63 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1h7t h HIS 32 CO 0.04 0.66 -0.05 0.28 0.86 0.00 0.00 177.93 179.71 1h7t h VAL 33 N 0.89 1.27 -0.43 2.45 2.07 -1.36 -2.45 116.25 118.69 1h7t h VAL 33 Ca 0.23 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1h7t h VAL 33 Cb 0.07 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1h7t h VAL 33 CO -0.03 0.34 0.24 0.22 0.02 0.00 0.00 177.57 178.35 1h7t h TYR 34 N 0.34 0.59 -0.65 1.57 5.03 -1.05 0.01 116.97 122.81 1h7t h TYR 34 Ca 0.08 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 1h7t h TYR 34 Cb 0.52 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 1h7t h TYR 34 CO 0.05 0.45 0.13 0.93 -1.32 0.00 0.00 178.16 178.40 1h7t h GLU 35 N 0.56 1.04 -0.16 1.82 5.08 -0.97 -1.90 114.58 120.06 1h7t h GLU 35 Ca 0.15 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1h7t h GLU 35 Cb 0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1h7t h GLU 35 CO -0.02 0.94 -0.50 0.00 -1.00 0.00 0.00 179.01 178.42 1h7t h ARG 36 N 0.98 0.43 -0.24 2.33 3.08 -1.24 -3.00 114.38 116.72 1h7t h ARG 36 Ca 0.20 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1h7t h ARG 36 Cb 0.38 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1h7t h ARG 36 CO 0.01 0.84 -0.09 0.00 -1.07 0.00 0.00 179.97 179.65 1h7t h ALA 37 N 1.12 1.41 0.00 0.04 0.00 -0.58 -1.96 119.26 119.29 1h7t h ALA 37 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1h7t h ALA 37 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h7t h ALA 37 CO 0.09 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 1h7t h LEU 38 N 0.36 0.00 -0.43 0.00 3.38 -1.21 -2.75 115.31 114.65 1h7t h LEU 38 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1h7t h LEU 38 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1h7t h LEU 38 CO 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.40 1h7t n GLN 39 N -2.53 0.90 -2.66 1.13 6.02 -0.74 -4.82 117.38 114.68 1h7t n GLN 39 Ca 0.02 -0.43 -0.43 0.00 -0.01 0.00 0.00 57.00 56.14 1h7t n GLN 39 Cb 0.25 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 1h7t n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h7t s VAL 40 N -2.40 4.34 0.33 5.09 1.01 -1.04 -4.96 120.40 122.76 1h7t s VAL 40 Ca 0.29 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 1h7t s VAL 40 Cb 0.20 -4.52 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1h7t s VAL 40 CO 0.47 -0.84 1.25 0.00 0.00 0.00 0.00 175.10 175.99 1h7t s ALA 41 N 4.10 3.45 0.00 5.51 0.00 -1.26 -3.41 121.76 130.15 1h7t s ALA 41 Ca 0.45 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1h7t s ALA 41 Cb -0.09 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1h7t s ALA 41 CO 0.27 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1h7t n GLY 42 N 0.87 0.12 3.85 0.00 0.00 -1.26 -4.91 105.19 103.86 1h7t n GLY 42 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1h7t n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h7t s VAL 43 N -2.00 5.26 -0.08 1.61 1.01 -1.22 -4.50 120.40 120.48 1h7t s VAL 43 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.61 1h7t s VAL 43 Cb 0.00 -3.57 -0.24 0.00 0.00 0.00 0.00 36.38 32.57 1h7t s VAL 43 CO 0.00 0.58 0.52 0.00 0.00 0.00 0.00 175.10 176.20 1h7t n ALA 44 N 2.02 1.35 -3.09 5.51 0.00 0.30 -4.99 120.51 121.61 1h7t n ALA 44 Ca -0.16 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 1h7t n ALA 44 Cb 0.53 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 1h7t n ALA 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h7t s GLU 45 N -2.58 0.74 -0.10 0.00 2.02 -1.25 -5.06 118.70 112.47 1h7t s GLU 45 Ca -0.10 -0.39 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 1h7t s GLU 45 Cb 0.07 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.65 1h7t s GLU 45 CO 0.81 -0.22 -0.06 0.08 0.02 0.00 0.00 175.26 175.89 1h7t s VAL 46 N -2.05 0.86 0.04 2.63 1.01 -1.26 -1.24 120.40 120.38 1h7t s VAL 46 Ca -0.09 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1h7t s VAL 46 Cb -0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1h7t s VAL 46 CO -0.00 0.34 -0.21 0.26 0.00 0.00 0.00 175.10 175.49 1h7t s TRP 47 N 1.70 1.80 -0.26 5.22 0.52 -0.21 -4.42 118.94 123.29 1h7t s TRP 47 Ca 0.04 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 55.70 1h7t s TRP 47 Cb -0.13 -1.08 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 1h7t s TRP 47 CO -0.07 0.08 0.11 0.08 0.02 0.00 0.00 176.95 177.18 1h7t s VAL 48 N -0.79 4.70 -0.40 4.03 1.01 -0.75 -0.28 120.40 127.92 1h7t s VAL 48 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1h7t s VAL 48 Cb -0.09 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1h7t s VAL 48 CO 0.02 0.31 0.37 0.00 0.00 0.00 0.00 175.10 175.80 1h7t s ALA 49 N 1.59 3.46 0.28 5.51 0.00 0.63 -1.27 121.76 131.96 1h7t s ALA 49 Ca 0.06 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.59 1h7t s ALA 49 Cb -0.15 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1h7t s ALA 49 CO 0.06 -1.41 -0.07 -0.08 0.00 0.00 0.00 175.76 174.26 1h7t s THR 50 N 1.96 1.68 -0.32 0.00 -1.32 -0.79 -0.37 115.64 116.48 1h7t s THR 50 Ca 0.10 -2.14 0.05 0.00 -1.21 0.00 0.00 61.69 58.49 1h7t s THR 50 Cb -0.18 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1h7t s THR 50 CO 0.12 -0.31 0.29 -0.90 -2.21 0.00 0.00 174.62 171.61 1h7t n ASP 51 N -0.58 0.44 -4.23 8.08 5.75 -1.26 -0.26 116.55 124.49 1h7t n ASP 51 Ca -0.06 -0.72 -0.31 0.00 -0.01 0.00 0.00 54.79 53.69 1h7t n ASP 51 Cb 0.63 0.84 -0.17 0.00 -1.03 0.00 0.00 41.12 41.39 1h7t n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1h7t s ASP 52 N -1.32 2.98 0.38 -1.12 -1.08 -1.26 -4.84 116.67 110.41 1h7t s ASP 52 Ca 0.03 -0.52 0.09 0.00 -0.52 0.00 0.00 52.55 51.63 1h7t s ASP 52 Cb 0.04 -1.10 0.84 0.00 -1.46 0.00 0.00 42.92 41.24 1h7t s ASP 52 CO 0.19 0.19 1.96 -0.65 0.52 0.00 0.00 175.17 177.38 1h7t h PRO 53 N 6.41 0.62 0.00 4.34 0.11 -1.99 -1.54 132.00 139.95 1h7t h PRO 53 Ca -0.26 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1h7t h PRO 53 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1h7t h PRO 53 CO 0.47 0.41 -0.15 0.00 -0.21 0.00 0.00 178.00 178.52 1h7t h ARG 54 N 0.64 0.00 0.22 1.05 3.08 -1.99 -1.25 114.38 116.12 1h7t h ARG 54 Ca 0.31 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.02 1h7t h ARG 54 Cb 0.38 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.46 1h7t h ARG 54 CO -0.10 0.15 -1.61 0.28 -1.07 0.00 0.00 179.97 177.62 1h7t h VAL 55 N 0.00 1.11 0.09 2.04 2.07 -1.70 -3.11 116.25 116.74 1h7t h VAL 55 Ca -0.00 -2.60 0.01 0.00 0.82 0.00 0.00 66.70 64.93 1h7t h VAL 55 Cb 0.33 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1h7t h VAL 55 CO 0.02 0.83 -0.11 -0.08 0.02 0.00 0.00 177.57 178.25 1h7t h GLU 56 N 0.11 -0.22 -0.24 1.57 4.81 -1.05 -1.84 114.58 117.71 1h7t h GLU 56 Ca -0.30 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1h7t h GLU 56 Cb 2.12 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.54 1h7t h GLU 56 CO 0.22 -0.15 0.01 1.96 -0.73 0.00 0.00 179.01 180.32 1h7t h GLN 57 N -0.23 0.35 -0.39 1.92 1.08 -1.39 -1.61 115.11 114.84 1h7t h GLN 57 Ca 0.01 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 1h7t h GLN 57 Cb 0.23 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1h7t h GLN 57 CO -0.05 0.37 -0.16 0.00 -0.95 0.00 0.00 178.83 178.05 1h7t h ALA 58 N 1.68 1.01 -0.08 3.87 0.00 -1.36 -1.36 119.26 123.01 1h7t h ALA 58 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1h7t h ALA 58 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1h7t h ALA 58 CO 0.00 0.59 -0.14 0.28 0.00 0.00 0.00 179.25 179.98 1h7t h VAL 59 N 0.64 1.41 0.00 0.00 2.07 -0.72 -3.13 116.25 116.51 1h7t h VAL 59 Ca 0.10 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1h7t h VAL 59 Cb 0.62 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1h7t h VAL 59 CO 0.04 0.40 -0.07 1.56 0.02 0.00 0.00 177.57 179.52 1h7t h GLN 60 N -0.24 0.00 -0.74 1.57 4.20 -1.24 -1.77 115.11 116.88 1h7t h GLN 60 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1h7t h GLN 60 Cb 0.72 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1h7t h GLN 60 CO 0.03 0.07 0.21 0.00 -0.67 0.00 0.00 178.83 178.48 1h7t h ALA 61 N 1.93 0.97 -0.16 3.87 0.00 -1.19 -2.64 119.26 122.04 1h7t h ALA 61 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1h7t h ALA 61 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1h7t h ALA 61 CO 0.01 0.67 0.00 1.97 0.00 0.00 0.00 179.25 181.90 1h7t n PHE 62 N -4.24 0.20 0.00 0.00 1.16 -0.93 -4.93 117.46 108.72 1h7t n PHE 62 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 1h7t n PHE 62 Cb 0.24 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 1h7t n PHE 62 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1h7t n GLY 63 N 1.18 0.34 3.71 4.97 0.00 -0.99 -5.09 105.19 109.30 1h7t n GLY 63 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1h7t n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h7t s GLY 64 N -1.79 1.59 -0.14 -0.02 0.00 -0.71 -4.95 107.32 101.30 1h7t s GLY 64 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 1h7t s GLY 64 CO 0.00 0.01 -0.01 0.54 0.00 0.00 0.00 173.10 173.64 1h7t s LYS 65 N -5.29 3.58 0.11 2.90 1.02 -1.26 -4.12 119.74 116.67 1h7t s LYS 65 Ca 0.67 -0.46 0.06 0.00 0.02 0.00 0.00 55.97 56.26 1h7t s LYS 65 Cb -0.13 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1h7t s LYS 65 CO 0.55 0.35 -0.14 0.00 -0.92 0.00 0.00 175.35 175.19 1h7t s ALA 66 N 0.08 1.40 -0.04 5.17 0.00 -1.26 -1.81 121.76 125.30 1h7t s ALA 66 Ca 0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1h7t s ALA 66 Cb -0.13 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1h7t s ALA 66 CO 0.02 0.12 0.03 -1.50 0.00 0.00 0.00 175.76 174.44 1h7t s ILE 67 N -1.90 0.01 0.28 0.00 2.07 -0.39 -4.92 121.20 116.34 1h7t s ILE 67 Ca 0.06 0.27 -0.29 0.00 -1.41 0.00 0.00 60.65 59.28 1h7t s ILE 67 Cb -0.06 -0.20 -0.10 0.00 0.13 0.00 0.00 42.46 42.24 1h7t s ILE 67 CO 0.03 0.16 1.20 -0.04 -1.91 0.00 0.00 174.94 174.38 1h7t s MET 68 N 1.64 4.50 0.15 3.50 -1.94 -1.26 -1.89 119.30 123.99 1h7t s MET 68 Ca -0.02 1.98 0.02 0.00 -1.71 0.00 0.00 55.69 55.96 1h7t s MET 68 Cb -0.13 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 1h7t s MET 68 CO -0.03 -0.01 -0.02 0.95 -0.01 0.00 0.00 175.02 175.90 1h7t s THR 69 N -0.87 0.67 0.80 2.05 -4.23 0.64 -4.90 115.64 109.81 1h7t s THR 69 Ca 0.48 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 1h7t s THR 69 Cb -0.35 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.54 1h7t s THR 69 CO 0.44 -0.58 1.00 0.54 -0.54 0.00 0.00 174.62 175.48 1h7t n ARG 70 N -0.19 0.21 0.00 3.99 1.74 -1.26 -4.38 116.66 116.77 1h7t n ARG 70 Ca -0.08 0.14 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1h7t n ARG 70 Cb 0.63 -2.27 0.10 0.00 -1.02 0.00 0.00 32.46 29.89 1h7t n ARG 70 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1h7t n ASN 71 N -2.44 2.95 -1.00 0.55 6.94 -1.26 -4.31 115.26 116.69 1h7t n ASN 71 Ca 0.12 -1.98 0.10 0.00 -0.02 0.00 0.00 54.58 52.81 1h7t n ASN 71 Cb 0.50 0.01 0.27 0.00 -2.36 0.00 0.00 39.78 38.20 1h7t n ASN 71 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1h7t n ASP 72 N 1.30 2.93 -4.75 0.53 5.68 -1.26 -4.94 116.55 116.05 1h7t n ASP 72 Ca 0.14 -1.94 -0.41 0.00 -0.50 0.00 0.00 54.79 52.08 1h7t n ASP 72 Cb 0.59 -0.28 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1h7t n ASP 72 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1h7t s HIS 73 N -1.44 3.47 -0.85 2.11 3.76 -1.26 -4.95 115.29 116.13 1h7t s HIS 73 Ca 0.37 1.57 0.22 0.00 -0.15 0.00 0.00 55.06 57.07 1h7t s HIS 73 Cb 0.21 -3.38 -0.17 0.00 1.11 0.00 0.00 32.58 30.35 1h7t s HIS 73 CO 0.28 -0.92 0.90 0.39 -0.85 0.00 0.00 174.74 174.54 1h7t n GLU 74 N 1.66 0.10 -4.01 1.40 4.71 -1.26 -4.98 120.64 118.27 1h7t n GLU 74 Ca 0.01 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.16 57.05 1h7t n GLU 74 Cb 0.44 -1.51 -0.10 0.00 -1.01 0.00 0.00 31.44 29.26 1h7t n GLU 74 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1h7t s SER 75 N -3.25 0.31 0.52 1.62 1.04 -1.26 -5.02 113.70 107.65 1h7t s SER 75 Ca 0.06 -0.66 0.28 0.00 0.48 0.00 0.00 55.95 56.11 1h7t s SER 75 Cb 0.16 0.15 1.43 0.00 0.10 0.00 0.00 66.02 67.85 1h7t s SER 75 CO 0.86 -0.42 2.05 1.23 0.98 0.00 0.00 173.24 177.94 1h7t h GLY 76 N 4.06 0.00 0.82 7.32 0.00 -1.99 -2.58 103.07 110.71 1h7t h GLY 76 Ca -0.33 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1h7t h GLY 76 CO 0.50 0.00 -0.23 -0.84 0.00 0.00 0.00 176.54 175.97 1h7t h THR 77 N 0.00 1.34 -0.17 4.70 2.02 -1.99 -1.82 112.91 117.00 1h7t h THR 77 Ca -0.00 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 1h7t h THR 77 Cb 0.37 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1h7t h THR 77 CO 0.02 0.43 -0.12 0.44 0.37 0.00 0.00 175.52 176.66 1h7t h ASP 78 N 0.13 0.25 0.23 4.18 3.32 -1.90 -1.76 116.42 120.87 1h7t h ASP 78 Ca 0.02 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1h7t h ASP 78 Cb 0.79 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1h7t h ASP 78 CO 0.05 0.40 -0.43 -0.09 -1.72 0.00 0.00 179.24 177.45 1h7t h ARG 79 N 0.25 0.26 -0.21 3.56 2.43 -1.32 -2.71 114.38 116.63 1h7t h ARG 79 Ca 0.05 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1h7t h ARG 79 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1h7t h ARG 79 CO 0.02 0.65 -0.43 1.25 -1.51 0.00 0.00 179.97 179.95 1h7t h LEU 80 N 0.21 0.53 -1.03 3.80 5.85 -0.48 -2.78 115.31 121.41 1h7t h LEU 80 Ca 0.02 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1h7t h LEU 80 Cb 0.85 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1h7t h LEU 80 CO 0.07 0.89 0.13 0.58 -0.34 0.00 0.00 178.44 179.77 1h7t h VAL 81 N 0.41 1.23 -0.41 1.05 2.07 -1.10 -1.03 116.25 118.46 1h7t h VAL 81 Ca 0.03 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1h7t h VAL 81 Cb 0.92 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1h7t h VAL 81 CO 0.08 0.30 -0.17 -0.08 0.02 0.00 0.00 177.57 177.73 1h7t h GLU 82 N 0.80 0.77 -0.20 1.57 4.81 -1.31 -3.05 114.58 117.97 1h7t h GLU 82 Ca 0.18 -0.28 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1h7t h GLU 82 Cb 0.29 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1h7t h GLU 82 CO -0.00 0.88 -0.52 0.28 -0.73 0.00 0.00 179.01 178.93 1h7t h VAL 83 N 0.68 1.31 -0.38 0.32 2.07 -1.19 -3.14 116.25 115.93 1h7t h VAL 83 Ca 0.11 -1.75 0.11 0.00 0.82 0.00 0.00 66.70 65.99 1h7t h VAL 83 Cb 0.66 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1h7t h VAL 83 CO 0.05 0.55 0.27 -0.03 0.02 0.00 0.00 177.57 178.43 1h7t h MET 84 N 0.45 0.00 0.00 1.57 1.85 -1.09 0.29 114.93 118.00 1h7t h MET 84 Ca 0.02 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.01 1h7t h MET 84 Cb 1.05 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 1h7t h MET 84 CO 0.10 0.00 -0.46 0.45 -0.40 0.00 0.00 176.91 176.60 1h7t h HIS 85 N 0.00 0.00 0.02 1.39 -0.00 -1.58 -3.35 115.15 111.63 1h7t h HIS 85 Ca 0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 60.37 60.16 1h7t h HIS 85 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.07 1h7t h HIS 85 CO 0.00 0.46 -2.42 1.63 -0.00 0.00 0.00 177.93 177.60 1h7t n LYS 86 N -3.42 0.66 -3.58 2.45 5.02 -0.23 -4.87 118.16 114.20 1h7t n LYS 86 Ca 0.01 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 1h7t n LYS 86 Cb 0.61 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1h7t n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h7t s VAL 87 N -2.52 4.60 -0.07 -0.18 1.01 0.85 -5.08 120.40 119.01 1h7t s VAL 87 Ca -0.34 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.45 1h7t s VAL 87 Cb 0.09 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1h7t s VAL 87 CO 0.61 -0.30 0.83 -1.61 0.00 0.00 0.00 175.10 174.64 1h7t s GLU 88 N 1.55 4.44 0.24 2.72 2.02 -1.26 -4.44 118.70 123.96 1h7t s GLU 88 Ca 0.02 1.10 -0.20 0.00 0.02 0.00 0.00 54.97 55.92 1h7t s GLU 88 Cb -0.20 -3.48 0.03 0.00 0.10 0.00 0.00 34.13 30.58 1h7t s GLU 88 CO 0.06 -0.07 0.63 0.00 0.02 0.00 0.00 175.26 175.90 1h7t s ALA 89 N 1.22 -1.12 -0.11 5.21 0.00 -1.26 -5.02 121.76 120.69 1h7t s ALA 89 Ca 0.43 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1h7t s ALA 89 Cb -0.19 0.88 -0.24 0.00 0.00 0.00 0.00 23.12 23.57 1h7t s ALA 89 CO 0.20 -0.92 0.41 -0.25 0.00 0.00 0.00 175.76 175.21 1h7t n ASP 90 N -0.41 1.46 -4.05 0.00 8.00 0.32 -4.64 116.55 117.22 1h7t n ASP 90 Ca -0.07 0.25 -0.25 0.00 0.71 0.00 0.00 54.79 55.42 1h7t n ASP 90 Cb 0.61 -0.37 -0.17 0.00 -0.02 0.00 0.00 41.12 41.18 1h7t n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h7t s ILE 91 N -2.57 1.25 -0.14 0.53 1.01 -0.78 -0.67 121.20 119.84 1h7t s ILE 91 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1h7t s ILE 91 Cb 0.07 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1h7t s ILE 91 CO 0.78 0.38 -0.14 -0.31 0.00 0.00 0.00 174.94 175.65 1h7t s TYR 92 N 0.57 2.78 -0.18 3.97 1.51 0.25 -1.89 117.35 124.37 1h7t s TYR 92 Ca -0.14 -0.86 -0.06 0.00 -1.01 0.00 0.00 57.07 55.00 1h7t s TYR 92 Cb -0.16 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1h7t s TYR 92 CO 0.04 -0.36 0.01 0.42 -1.11 0.00 0.00 175.55 174.56 1h7t s ILE 93 N 0.61 4.26 -0.46 2.71 1.01 -0.46 -0.06 121.20 128.81 1h7t s ILE 93 Ca -0.08 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 1h7t s ILE 93 Cb -0.16 -2.90 0.10 0.00 0.01 0.00 0.00 42.46 39.51 1h7t s ILE 93 CO 0.03 0.46 0.33 0.21 0.00 0.00 0.00 174.94 175.97 1h7t s ASN 94 N 0.56 5.74 0.12 3.58 2.47 -0.06 -0.28 114.94 127.08 1h7t s ASN 94 Ca 0.00 -1.71 -0.04 0.00 0.42 0.00 0.00 52.86 51.52 1h7t s ASN 94 Cb -0.14 -2.03 -0.05 0.00 -1.45 0.00 0.00 41.25 37.58 1h7t s ASN 94 CO 0.02 -0.65 0.35 -0.76 -3.72 0.00 0.00 177.10 172.34 1h7t s LEU 95 N 1.42 4.29 -0.12 3.21 1.43 -0.75 -3.00 118.68 125.16 1h7t s LEU 95 Ca 0.04 0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 53.48 1h7t s LEU 95 Cb -0.25 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1h7t s LEU 95 CO 0.01 0.08 0.63 -1.10 0.23 0.00 0.00 176.35 176.20 1h7t s GLN 96 N -2.58 4.34 0.00 1.70 -1.52 -1.26 -3.65 119.66 116.69 1h7t s GLN 96 Ca 0.39 0.70 0.04 0.00 -1.95 0.00 0.00 55.36 54.54 1h7t s GLN 96 Cb -0.12 -3.49 0.22 0.00 -0.22 0.00 0.00 33.01 29.40 1h7t s GLN 96 CO 0.25 -0.02 0.87 0.41 -0.25 0.00 0.00 175.29 176.54 1h7t n GLY 97 N 3.37 -0.31 0.49 3.09 0.00 -1.18 -2.60 105.19 108.06 1h7t n GLY 97 Ca -0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1h7t n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h7t n ASP 98 N -1.18 2.52 -3.78 1.61 5.75 -1.26 -4.49 116.55 115.72 1h7t n ASP 98 Ca 0.02 -3.35 -0.28 0.00 -0.01 0.00 0.00 54.79 51.18 1h7t n ASP 98 Cb 0.03 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.50 1h7t n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1h7t n GLU 99 N -1.15 1.51 0.00 0.11 1.02 -1.07 -0.89 120.64 120.17 1h7t n GLU 99 Ca 0.20 -4.22 0.08 0.00 -0.02 0.00 0.00 57.16 53.20 1h7t n GLU 99 Cb 0.75 -2.15 0.37 0.00 -0.02 0.00 0.00 31.44 30.39 1h7t n GLU 99 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1h7t n PRO 100 N 2.10 0.00 -0.84 3.49 -0.04 -1.26 -3.23 135.00 135.22 1h7t n PRO 100 Ca 0.22 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 1h7t n PRO 100 Cb 0.38 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.72 1h7t n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1h7t n MET 101 N -1.51 4.65 -1.77 0.54 2.81 -1.26 -4.63 117.12 115.95 1h7t n MET 101 Ca 0.04 -3.01 -0.42 0.00 -1.81 0.00 0.00 57.70 52.51 1h7t n MET 101 Cb 0.20 -2.21 -0.02 0.00 -0.71 0.00 0.00 33.22 30.48 1h7t n MET 101 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 1h7t s ILE 102 N -2.61 2.09 -0.21 2.02 1.10 -1.20 -4.64 121.20 117.75 1h7t s ILE 102 Ca 0.52 0.07 -0.20 0.00 -0.51 0.00 0.00 60.65 60.54 1h7t s ILE 102 Cb 0.39 -3.04 -0.03 0.00 0.15 0.00 0.00 42.46 39.93 1h7t s ILE 102 CO 0.16 0.01 0.57 -0.13 -2.11 0.00 0.00 174.94 173.44 1h7t s ARG 103 N 0.22 4.18 0.47 3.50 0.52 -1.26 -4.96 118.95 121.63 1h7t s ARG 103 Ca 0.68 0.50 0.22 0.00 -0.52 0.00 0.00 55.73 56.61 1h7t s ARG 103 Cb -0.48 -3.58 1.22 0.00 0.52 0.00 0.00 34.95 32.63 1h7t s ARG 103 CO 0.41 -0.22 1.90 -1.35 0.02 0.00 0.00 175.30 176.05 1h7t h PRO 104 N 7.55 0.24 -0.76 3.54 0.11 -1.94 -1.91 132.00 138.83 1h7t h PRO 104 Ca -0.32 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 1h7t h PRO 104 Cb 1.15 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1h7t h PRO 104 CO 0.75 0.16 0.47 0.00 -0.21 0.00 0.00 178.00 179.17 1h7t h ARG 105 N 0.25 1.03 -0.24 1.05 2.47 -1.92 -2.61 114.38 114.40 1h7t h ARG 105 Ca 0.41 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.99 1h7t h ARG 105 Cb 1.21 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1h7t h ARG 105 CO -0.10 0.72 -0.05 -0.44 0.56 0.00 0.00 179.97 180.66 1h7t h ASP 106 N 1.04 0.35 0.74 7.04 3.32 -1.76 -1.27 116.42 125.89 1h7t h ASP 106 Ca 0.28 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 1h7t h ASP 106 Cb -0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1h7t h ASP 106 CO -0.05 0.45 -0.62 0.58 -1.72 0.00 0.00 179.24 177.88 1h7t h VAL 107 N 0.36 1.36 -0.03 -1.35 2.07 -1.49 -2.58 116.25 114.59 1h7t h VAL 107 Ca 0.08 -2.20 -0.18 0.00 0.82 0.00 0.00 66.70 65.22 1h7t h VAL 107 Cb 0.33 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1h7t h VAL 107 CO 0.01 0.61 -0.77 -0.33 0.02 0.00 0.00 177.57 177.12 1h7t h GLU 108 N 0.00 0.26 -0.57 1.57 5.08 -1.03 -1.20 114.58 118.69 1h7t h GLU 108 Ca -0.01 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1h7t h GLU 108 Cb 1.16 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1h7t h GLU 108 CO 0.08 0.91 0.20 1.15 -1.00 0.00 0.00 179.01 180.35 1h7t h THR 109 N 0.17 1.23 0.16 1.13 2.02 -1.10 0.50 112.91 117.02 1h7t h THR 109 Ca -0.03 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1h7t h THR 109 Cb 1.35 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1h7t h THR 109 CO 0.12 0.29 -0.08 0.25 0.37 0.00 0.00 175.52 176.47 1h7t h LEU 110 N 0.79 -0.18 -0.72 2.58 5.85 -1.31 -1.63 115.31 120.69 1h7t h LEU 110 Ca 0.19 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1h7t h LEU 110 Cb 0.25 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1h7t h LEU 110 CO -0.01 -0.05 0.46 0.25 -0.34 0.00 0.00 178.44 178.75 1h7t h LEU 111 N -0.31 0.83 -0.87 2.25 6.46 -1.07 -2.19 115.31 120.42 1h7t h LEU 111 Ca -0.02 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1h7t h LEU 111 Cb 0.24 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 1h7t h LEU 111 CO 0.04 0.62 0.35 -0.61 -0.62 0.00 0.00 178.44 178.21 1h7t h GLN 112 N 0.97 1.17 -0.56 1.25 5.75 -0.81 -1.61 115.11 121.27 1h7t h GLN 112 Ca 0.26 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1h7t h GLN 112 Cb -0.09 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.23 1h7t h GLN 112 CO -0.05 0.92 0.36 0.78 -2.65 0.00 0.00 178.83 178.19 1h7t h GLY 113 N 1.17 0.79 1.44 2.39 0.00 -0.83 0.16 103.07 108.19 1h7t h GLY 113 Ca 0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1h7t h GLY 113 CO -0.03 0.25 0.02 -0.33 0.00 0.00 0.00 176.54 176.46 1h7t h MET 114 N 0.72 0.69 0.01 4.80 2.86 -0.91 -3.01 114.93 120.09 1h7t h MET 114 Ca 0.21 -0.16 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 1h7t h MET 114 Cb -0.04 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1h7t h MET 114 CO -0.07 0.69 -0.92 0.00 1.06 0.00 0.00 176.91 177.68 1h7t h ARG 115 N 0.66 0.09 0.00 1.72 3.08 -0.76 -3.22 114.38 115.96 1h7t h ARG 115 Ca 0.14 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1h7t h ARG 115 Cb 0.38 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1h7t h ARG 115 CO 0.01 0.94 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.32 1h7t h ASP 116 N 0.04 0.00 -2.96 7.04 3.32 -0.85 -3.38 116.42 119.64 1h7t h ASP 116 Ca -0.03 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.44 1h7t h ASP 116 Cb 1.59 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.74 1h7t h ASP 116 CO 0.13 0.09 -0.79 -0.62 -1.72 0.00 0.00 179.24 176.33 1h7t s ASP 117 N -5.90 3.43 0.50 6.45 -1.08 -1.16 -4.99 116.67 113.92 1h7t s ASP 117 Ca 0.01 -2.04 0.34 0.00 -0.52 0.00 0.00 52.55 50.34 1h7t s ASP 117 Cb 0.10 -0.63 1.83 0.00 -1.46 0.00 0.00 42.92 42.76 1h7t s ASP 117 CO 0.58 -0.34 2.03 -0.65 0.52 0.00 0.00 175.17 177.31 1h7t h PRO 118 N 7.39 0.00 0.00 4.34 0.11 -1.75 -1.97 132.00 140.12 1h7t h PRO 118 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1h7t h PRO 118 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1h7t h PRO 118 CO 0.39 0.00 -0.52 0.00 -0.21 0.00 0.00 178.00 177.65 1h7t n ALA 119 N -1.93 3.20 -2.31 -0.75 0.00 -1.26 -4.87 120.51 112.59 1h7t n ALA 119 Ca -0.02 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1h7t n ALA 119 Cb 0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1h7t n ALA 119 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1h7t s LEU 120 N -3.52 4.12 -0.07 0.00 2.96 -0.74 -4.94 118.68 116.49 1h7t s LEU 120 Ca 0.09 1.71 -0.25 0.00 -0.22 0.00 0.00 54.13 55.46 1h7t s LEU 120 Cb 0.16 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 43.06 1h7t s LEU 120 CO 0.70 -0.90 0.97 -0.65 -1.32 0.00 0.00 176.35 175.14 1h7t h PRO 121 N 8.94 0.15 -4.68 0.98 0.11 -1.90 -3.44 132.00 132.16 1h7t h PRO 121 Ca -0.30 -0.18 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 1h7t h PRO 121 Cb 1.12 0.06 -0.22 0.00 0.11 0.00 0.00 31.00 32.07 1h7t h PRO 121 CO 0.98 0.96 -0.74 0.08 -0.21 0.00 0.00 178.00 179.07 1h7t s VAL 122 N -2.90 0.63 0.01 3.15 1.01 -1.19 -1.52 120.40 119.61 1h7t s VAL 122 Ca -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1h7t s VAL 122 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1h7t s VAL 122 CO 0.74 -0.29 -0.02 0.00 0.00 0.00 0.00 175.10 175.52 1h7t s ALA 123 N -1.21 0.10 0.30 5.51 0.00 -0.86 -1.89 121.76 123.70 1h7t s ALA 123 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1h7t s ALA 123 Cb -0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1h7t s ALA 123 CO 0.01 -0.11 0.38 -2.37 0.00 0.00 0.00 175.76 173.67 1h7t n THR 124 N 2.03 0.00 -4.56 0.00 5.66 -0.02 -1.42 114.28 115.97 1h7t n THR 124 Ca -0.20 -1.64 -0.27 0.00 -3.05 0.00 0.00 64.05 58.89 1h7t n THR 124 Cb 0.56 0.96 -0.11 0.00 -1.55 0.00 0.00 70.33 70.20 1h7t n THR 124 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1h7t s LEU 125 N 0.00 2.78 0.15 1.09 1.43 -1.24 -1.33 118.68 121.57 1h7t s LEU 125 Ca 0.27 -1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 51.89 1h7t s LEU 125 Cb -0.00 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.30 1h7t s LEU 125 CO 0.19 -0.27 0.73 0.00 0.23 0.00 0.00 176.35 177.23 1h7t s HIS 127 N -3.60 -0.05 0.37 0.00 -3.43 -0.42 -1.24 115.29 106.92 1h7t s HIS 127 Ca 0.05 -0.26 -0.27 0.00 -0.80 0.00 0.00 55.06 53.79 1h7t s HIS 127 Cb -0.02 0.09 -0.09 0.00 -1.43 0.00 0.00 32.58 31.13 1h7t s HIS 127 CO -0.06 -0.58 1.23 0.00 -2.00 0.00 0.00 174.74 173.33 1h7t s ALA 128 N -3.44 3.30 0.05 -1.38 0.00 -1.26 0.14 121.76 119.17 1h7t s ALA 128 Ca 0.01 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1h7t s ALA 128 Cb 0.02 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1h7t s ALA 128 CO -0.09 -0.59 -0.05 0.96 0.00 0.00 0.00 175.76 175.99 1h7t s ILE 129 N -1.27 0.37 1.07 0.00 -4.36 -1.07 -4.80 121.20 111.13 1h7t s ILE 129 Ca 0.53 -1.41 -0.14 0.00 -0.26 0.00 0.00 60.65 59.38 1h7t s ILE 129 Cb -0.35 -0.98 0.22 0.00 1.25 0.00 0.00 42.46 42.60 1h7t s ILE 129 CO 0.45 -0.68 1.08 -0.94 0.24 0.00 0.00 174.94 175.09 1h7t s SER 130 N -2.21 2.02 0.31 4.36 1.04 -1.26 -4.11 113.70 113.85 1h7t s SER 130 Ca -0.03 1.12 0.07 0.00 0.48 0.00 0.00 55.95 57.60 1h7t s SER 130 Cb -0.02 -1.75 0.50 0.00 0.10 0.00 0.00 66.02 64.85 1h7t s SER 130 CO -0.04 -3.50 1.73 0.00 0.98 0.00 0.00 173.24 172.41 1h7t h ALA 131 N -2.15 1.16 0.00 5.32 0.00 -1.97 -2.52 119.26 119.11 1h7t h ALA 131 Ca -0.55 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 1h7t h ALA 131 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1h7t h ALA 131 CO 0.54 0.56 -0.00 0.00 0.00 0.00 0.00 179.25 180.34 1h7t h ALA 132 N 1.42 -0.01 -0.13 0.00 0.00 -2.02 -2.62 119.26 115.91 1h7t h ALA 132 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1h7t h ALA 132 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1h7t h ALA 132 CO 0.06 -0.46 -0.13 0.93 0.00 0.00 0.00 179.25 179.64 1h7t h GLU 133 N -0.08 0.20 0.00 0.00 5.08 -1.90 -2.72 114.58 115.15 1h7t h GLU 133 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1h7t h GLU 133 Cb 0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1h7t h GLU 133 CO 0.00 0.33 -0.15 0.00 -1.00 0.00 0.00 179.01 178.20 1h7t h ALA 134 N 1.69 1.38 0.00 3.43 0.00 -1.08 -2.76 119.26 121.92 1h7t h ALA 134 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h7t h ALA 134 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1h7t h ALA 134 CO 0.02 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1h7t n ALA 135 N -2.34 1.89 -2.67 0.00 0.00 -1.02 -4.20 120.51 112.16 1h7t n ALA 135 Ca -0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1h7t n ALA 135 Cb 0.25 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1h7t n ALA 135 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h7t s GLU 136 N -3.08 4.28 0.62 0.00 0.41 -1.04 -4.90 118.70 114.99 1h7t s GLU 136 Ca 0.08 0.99 0.39 0.00 -0.41 0.00 0.00 54.97 56.02 1h7t s GLU 136 Cb 0.12 -3.58 2.09 0.00 -1.78 0.00 0.00 34.13 30.98 1h7t s GLU 136 CO 0.39 -0.34 2.27 -1.35 -0.49 0.00 0.00 175.26 175.74 1h7t h PRO 137 N 7.37 0.00 0.00 0.39 0.11 -1.86 -1.46 132.00 136.55 1h7t h PRO 137 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1h7t h PRO 137 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1h7t h PRO 137 CO 0.84 0.01 -0.07 0.66 -0.21 0.00 0.00 178.00 179.24 1h7t h SER 138 N 0.00 0.00 -3.64 -2.05 4.64 -1.92 -3.43 113.55 107.15 1h7t h SER 138 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1h7t h SER 138 Cb 0.10 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.04 1h7t h SER 138 CO 0.00 0.07 -0.13 -0.89 -0.87 0.00 0.00 176.83 175.01 1h7t s THR 139 N -3.22 5.09 -0.26 2.95 2.01 -0.55 -5.05 115.64 116.60 1h7t s THR 139 Ca 0.06 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 1h7t s THR 139 Cb 0.06 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1h7t s THR 139 CO 0.67 -0.07 0.91 -0.69 -0.69 0.00 0.00 174.62 174.75 1h7t s VAL 140 N 2.24 4.74 0.28 3.82 1.01 -1.26 -4.67 120.40 126.57 1h7t s VAL 140 Ca 0.17 1.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.76 1h7t s VAL 140 Cb -0.16 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1h7t s VAL 140 CO 0.12 -0.19 0.54 -0.54 0.00 0.00 0.00 175.10 175.03 1h7t s LYS 141 N 3.07 3.60 0.01 2.72 3.01 0.10 -0.79 119.74 131.46 1h7t s LYS 141 Ca 0.38 -0.07 -0.01 0.00 -1.01 0.00 0.00 55.97 55.27 1h7t s LYS 141 Cb -0.15 -2.67 -0.01 0.00 -1.01 0.00 0.00 37.83 33.99 1h7t s LYS 141 CO 0.09 0.23 -0.00 0.54 0.51 0.00 0.00 175.35 176.71 1h7t s VAL 142 N -2.08 0.07 -0.06 3.17 0.11 -0.71 -1.16 120.40 119.74 1h7t s VAL 142 Ca 0.43 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1h7t s VAL 142 Cb -0.11 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1h7t s VAL 142 CO 0.31 -0.33 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.86 1h7t s VAL 143 N -0.98 1.66 0.33 2.04 1.01 -1.07 -4.23 120.40 119.15 1h7t s VAL 143 Ca -0.11 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1h7t s VAL 143 Cb -0.07 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 1h7t s VAL 143 CO -0.00 0.47 -0.04 0.68 0.00 0.00 0.00 175.10 176.21 1h7t s VAL 144 N 0.08 1.84 0.00 2.92 -7.23 -1.26 0.20 120.40 116.94 1h7t s VAL 144 Ca -0.07 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 1h7t s VAL 144 Cb -0.13 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1h7t s VAL 144 CO 0.04 -0.16 0.00 -0.46 -0.31 0.00 0.00 175.10 174.21 1h7t n ASN 145 N -0.75 0.15 -0.07 4.85 0.23 -0.50 -4.87 115.26 114.31 1h7t n ASN 145 Ca -0.05 -0.97 0.02 0.00 -0.53 0.00 0.00 54.58 53.06 1h7t n ASN 145 Cb 0.65 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.70 1h7t n ASN 145 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1h7t h THR 146 N 0.07 1.14 -0.10 5.53 1.35 -2.02 -0.34 112.91 118.54 1h7t h THR 146 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1h7t h THR 146 Cb 0.00 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1h7t h THR 146 CO 0.00 0.15 0.00 0.54 -0.25 0.00 0.00 175.52 175.96 1h7t n ARG 147 N -4.44 1.32 -1.31 4.72 1.74 -1.26 -4.88 116.66 112.55 1h7t n ARG 147 Ca 0.04 -0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 56.53 1h7t n ARG 147 Cb 0.07 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1h7t n ARG 147 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1h7t n GLN 148 N -0.22 -0.74 -2.66 5.56 6.02 -0.14 -4.89 117.38 120.31 1h7t n GLN 148 Ca 0.11 0.87 -0.39 0.00 -0.01 0.00 0.00 57.00 57.58 1h7t n GLN 148 Cb 0.15 -4.82 -0.05 0.00 1.02 0.00 0.00 30.24 26.54 1h7t n GLN 148 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h7t s ASP 149 N -2.89 7.44 0.10 1.08 1.01 -1.26 -0.95 116.67 121.22 1h7t s ASP 149 Ca 0.00 2.03 -0.31 0.00 0.71 0.00 0.00 52.55 54.98 1h7t s ASP 149 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 1h7t s ASP 149 CO 0.00 0.00 1.29 0.00 0.21 0.00 0.00 175.17 176.67 1h7t s ALA 150 N -1.27 3.49 -0.13 5.23 0.00 -0.17 -1.41 121.76 127.51 1h7t s ALA 150 Ca 0.44 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 1h7t s ALA 150 Cb -0.26 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 19.12 1h7t s ALA 150 CO 0.33 -0.52 0.48 -0.07 0.00 0.00 0.00 175.76 175.98 1h7t h LEU 151 N 6.58 0.28 -7.00 0.00 3.38 -0.59 -3.45 115.31 114.51 1h7t h LEU 151 Ca -0.42 -0.80 0.05 0.00 0.09 0.00 0.00 57.88 56.80 1h7t h LEU 151 Cb 1.21 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.71 1h7t h LEU 151 CO 0.83 1.58 0.39 -0.47 0.09 0.00 0.00 178.44 180.86 1h7t s TYR 152 N -2.45 -0.44 -0.09 1.13 5.04 -1.23 -5.03 117.35 114.28 1h7t s TYR 152 Ca -0.22 0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.86 1h7t s TYR 152 Cb 0.04 0.52 -0.00 0.00 0.35 0.00 0.00 41.96 42.87 1h7t s TYR 152 CO 0.72 -0.60 -0.24 -0.06 -1.34 0.00 0.00 175.55 174.03 1h7t s PHE 153 N -2.77 2.51 0.03 4.97 0.40 -1.26 -2.61 117.98 119.24 1h7t s PHE 153 Ca 0.01 -0.98 -0.22 0.00 -0.60 0.00 0.00 56.93 55.15 1h7t s PHE 153 Cb -0.01 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.90 1h7t s PHE 153 CO -0.06 -0.38 0.49 0.45 0.70 0.00 0.00 175.22 176.42 1h7t s SER 154 N 0.26 -0.40 0.22 1.36 0.15 -0.31 -4.99 113.70 109.99 1h7t s SER 154 Ca -0.16 0.17 0.25 0.00 0.70 0.00 0.00 55.95 56.91 1h7t s SER 154 Cb -0.17 0.47 0.60 0.00 -1.71 0.00 0.00 66.02 65.21 1h7t s SER 154 CO 0.08 -0.68 1.62 0.03 1.20 0.00 0.00 173.24 175.49 1h7t h ARG 155 N 2.93 0.00 -7.05 5.44 3.08 -1.86 0.31 114.38 117.24 1h7t h ARG 155 Ca -0.30 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.30 1h7t h ARG 155 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1h7t h ARG 155 CO 0.41 0.00 0.35 -1.12 -1.07 0.00 0.00 179.97 178.54 1h7t s SER 156 N -4.71 6.87 -0.56 7.04 0.01 -1.26 -4.19 113.70 116.90 1h7t s SER 156 Ca 0.09 1.74 -0.27 0.00 1.31 0.00 0.00 55.95 58.82 1h7t s SER 156 Cb 0.11 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1h7t s SER 156 CO 0.64 -0.41 1.75 -2.84 0.41 0.00 0.00 173.24 172.80 1h7t s PRO 157 N -3.11 2.88 -0.06 12.44 0.02 -1.26 -4.74 135.00 141.17 1h7t s PRO 157 Ca 0.62 0.69 0.06 0.00 0.02 0.00 0.00 61.00 62.39 1h7t s PRO 157 Cb -0.11 -4.30 -0.01 0.00 0.02 0.00 0.00 34.50 30.10 1h7t s PRO 157 CO 0.15 -2.43 -0.25 0.96 -0.33 0.00 0.00 177.00 175.10 1h7t s ILE 158 N 8.08 2.06 0.61 2.83 -4.36 -1.26 -3.55 121.20 125.62 1h7t s ILE 158 Ca 0.66 -1.07 -0.15 0.00 -0.26 0.00 0.00 60.65 59.83 1h7t s ILE 158 Cb -0.14 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 1h7t s ILE 158 CO 0.23 0.57 1.06 -2.16 0.24 0.00 0.00 174.94 174.88 1h7t s PRO 159 N -0.18 3.25 0.17 0.37 0.04 -1.26 -4.68 135.00 132.71 1h7t s PRO 159 Ca -0.03 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 1h7t s PRO 159 Cb -0.14 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1h7t s PRO 159 CO 0.04 -0.86 1.45 -0.47 0.04 0.00 0.00 177.00 177.20 1h7t s TYR 160 N -2.59 3.14 -1.36 0.56 5.04 -1.23 -4.92 117.35 116.00 1h7t s TYR 160 Ca 0.62 0.89 -0.09 0.00 -2.44 0.00 0.00 57.07 56.05 1h7t s TYR 160 Cb -0.15 -3.78 -0.09 0.00 0.35 0.00 0.00 41.96 38.28 1h7t s TYR 160 CO 0.41 -2.74 2.82 -0.35 -1.34 0.00 0.00 175.55 174.35 1h7t n PRO 161 N 3.49 3.22 -0.12 4.97 -0.04 -1.26 -4.62 135.00 140.64 1h7t n PRO 161 Ca 0.11 -1.94 -0.10 0.00 -0.04 0.00 0.00 63.50 61.53 1h7t n PRO 161 Cb 0.41 -2.66 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 1h7t n PRO 161 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1h7t h ARG 162 N 5.14 0.58 -3.48 0.54 9.65 -2.02 -3.24 114.38 121.56 1h7t h ARG 162 Ca 0.74 -0.14 -0.68 0.00 -1.10 0.00 0.00 59.98 58.81 1h7t h ARG 162 Cb 0.34 -0.08 -0.37 0.00 -1.39 0.00 0.00 29.97 28.47 1h7t h ARG 162 CO 1.60 0.62 -0.42 -0.80 2.80 0.00 0.00 179.97 183.76 1h7t s ASN 163 N -5.94 5.01 0.21 -3.80 0.01 -1.26 -4.99 114.94 104.19 1h7t s ASN 163 Ca -0.13 -3.00 -0.13 0.00 -0.71 0.00 0.00 52.86 48.88 1h7t s ASN 163 Cb 0.10 -1.79 0.25 0.00 0.41 0.00 0.00 41.25 40.21 1h7t s ASN 163 CO 0.76 -0.31 1.62 0.00 -1.51 0.00 0.00 177.10 177.66 1h7t h ALA 164 N 6.74 0.42 0.00 0.60 0.00 -1.93 -2.03 119.26 123.07 1h7t h ALA 164 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1h7t h ALA 164 Cb 0.92 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1h7t h ALA 164 CO 0.71 -0.43 0.00 1.05 0.00 0.00 0.00 179.25 180.59 1h7t h GLU 165 N -0.00 0.00 0.00 0.00 9.09 -1.94 -2.42 114.58 119.31 1h7t h GLU 165 Ca 0.31 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.60 1h7t h GLU 165 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 1h7t h GLU 165 CO -0.67 0.00 -1.38 1.63 0.05 0.00 0.00 179.01 178.64 1h7t n LYS 166 N -2.54 0.62 -2.38 1.06 4.76 -0.77 -4.94 118.16 113.98 1h7t n LYS 166 Ca -0.01 0.16 -0.41 0.00 -2.87 0.00 0.00 58.31 55.18 1h7t n LYS 166 Cb 0.08 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.45 1h7t n LYS 166 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h7t s ALA 167 N -3.06 3.43 -0.07 7.82 0.00 -0.91 -5.05 121.76 123.92 1h7t s ALA 167 Ca -0.03 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1h7t s ALA 167 Cb 0.09 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1h7t s ALA 167 CO 0.81 -0.38 -0.14 0.50 0.00 0.00 0.00 175.76 176.55 1h7t s ARG 168 N 0.00 1.85 0.09 0.00 3.52 -1.26 -5.02 118.95 118.14 1h7t s ARG 168 Ca 0.54 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 1h7t s ARG 168 Cb -0.32 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1h7t s ARG 168 CO 0.35 0.04 0.11 0.71 -0.81 0.00 0.00 175.30 175.70 1h7t s TYR 169 N 0.64 3.23 -0.09 5.12 2.02 -1.26 -4.68 117.35 122.33 1h7t s TYR 169 Ca -0.15 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 1h7t s TYR 169 Cb -0.16 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1h7t s TYR 169 CO 0.04 0.53 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.98 1h7t s LEU 170 N -2.54 1.16 -0.03 -1.29 1.43 -1.26 -2.60 118.68 113.54 1h7t s LEU 170 Ca 0.30 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1h7t s LEU 170 Cb -0.12 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 1h7t s LEU 170 CO 0.23 -0.10 0.52 -0.75 0.23 0.00 0.00 176.35 176.48 1h7t s LYS 171 N 1.49 4.23 -0.01 1.70 2.20 0.12 -1.73 119.74 127.74 1h7t s LYS 171 Ca -0.00 0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1h7t s LYS 171 Cb -0.13 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1h7t s LYS 171 CO -0.05 0.39 0.98 -1.58 -0.36 0.00 0.00 175.35 174.74 1h7t s HIS 172 N -0.20 3.64 -0.36 4.03 5.65 0.03 -1.30 115.29 126.79 1h7t s HIS 172 Ca 0.28 1.68 -0.12 0.00 0.25 0.00 0.00 55.06 57.15 1h7t s HIS 172 Cb -0.17 -3.13 0.01 0.00 -1.18 0.00 0.00 32.58 28.11 1h7t s HIS 172 CO 0.14 -0.04 0.22 0.08 -0.65 0.00 0.00 174.74 174.50 1h7t s VAL 173 N 1.14 4.90 0.00 0.89 1.01 -0.23 -4.80 120.40 123.31 1h7t s VAL 173 Ca 0.51 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1h7t s VAL 173 Cb -0.21 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1h7t s VAL 173 CO 0.27 -0.11 0.28 0.61 0.00 0.00 0.00 175.10 176.14 1h7t n GLY 174 N 5.05 0.78 3.44 4.51 0.00 -1.26 -3.68 105.19 114.03 1h7t n GLY 174 Ca -0.12 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1h7t n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h7t s ILE 175 N 2.52 3.31 0.18 -0.61 1.01 -1.26 -4.69 121.20 121.66 1h7t s ILE 175 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1h7t s ILE 175 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1h7t s ILE 175 CO 0.00 0.54 -0.15 -0.31 0.00 0.00 0.00 174.94 175.01 1h7t s TYR 176 N 0.05 1.69 -0.10 3.97 1.51 -1.16 -3.60 117.35 119.72 1h7t s TYR 176 Ca -0.03 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1h7t s TYR 176 Cb -0.14 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1h7t s TYR 176 CO 0.04 0.32 -0.08 0.00 -1.11 0.00 0.00 175.55 174.73 1h7t s ALA 177 N -2.65 1.22 -0.04 3.71 0.00 -0.51 -0.88 121.76 122.61 1h7t s ALA 177 Ca 0.19 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.76 1h7t s ALA 177 Cb -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1h7t s ALA 177 CO 0.06 -0.30 -0.25 0.71 0.00 0.00 0.00 175.76 175.99 1h7t s TYR 178 N 1.50 2.42 0.48 0.00 2.02 0.91 -2.03 117.35 122.65 1h7t s TYR 178 Ca 0.00 -0.56 -0.20 0.00 -0.37 0.00 0.00 57.07 55.94 1h7t s TYR 178 Cb -0.13 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.78 1h7t s TYR 178 CO -0.05 -0.11 1.02 0.50 -1.57 0.00 0.00 175.55 175.33 1h7t s ARG 179 N -0.39 3.85 0.21 -0.62 6.06 -0.57 -0.59 118.95 126.90 1h7t s ARG 179 Ca 0.03 1.29 -0.10 0.00 -2.50 0.00 0.00 55.73 54.45 1h7t s ARG 179 Cb -0.12 -2.11 0.27 0.00 0.06 0.00 0.00 34.95 33.05 1h7t s ARG 179 CO 0.01 -0.37 1.74 -0.09 -2.50 0.00 0.00 175.30 174.09 1h7t h ARG 180 N 1.53 0.38 -0.12 5.12 2.43 -1.16 -2.45 114.38 120.12 1h7t h ARG 180 Ca -0.49 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1h7t h ARG 180 Cb 1.21 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1h7t h ARG 180 CO 0.59 0.25 0.10 0.38 -1.51 0.00 0.00 179.97 179.79 1h7t h ASP 181 N 0.39 0.00 -0.36 -3.80 2.03 -1.93 -1.28 116.42 111.48 1h7t h ASP 181 Ca 0.30 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.45 1h7t h ASP 181 Cb 0.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 1h7t h ASP 181 CO -0.31 0.00 -0.34 0.58 -1.03 0.00 0.00 179.24 178.14 1h7t h VAL 182 N 0.00 1.28 -0.28 4.15 2.07 -1.79 -2.82 116.25 118.87 1h7t h VAL 182 Ca 0.05 -1.52 -0.17 0.00 0.82 0.00 0.00 66.70 65.89 1h7t h VAL 182 Cb 0.26 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1h7t h VAL 182 CO -0.00 0.50 -0.51 -0.07 0.02 0.00 0.00 177.57 177.51 1h7t h LEU 183 N 0.67 0.86 -1.93 2.57 3.38 -1.29 -1.76 115.31 117.81 1h7t h LEU 183 Ca 0.06 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1h7t h LEU 183 Cb 0.93 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1h7t h LEU 183 CO 0.09 1.21 -0.06 1.56 0.09 0.00 0.00 178.44 181.33 1h7t h GLN 184 N 0.61 0.00 -0.03 1.13 4.20 -1.31 -2.46 115.11 117.26 1h7t h GLN 184 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1h7t h GLN 184 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1h7t h GLN 184 CO 0.11 0.06 -0.12 0.09 -0.67 0.00 0.00 178.83 178.30 1h7t n ASN 185 N -4.35 2.71 -0.01 1.46 3.02 -1.07 -4.65 115.26 112.36 1h7t n ASN 185 Ca -0.03 -1.85 -0.10 0.00 -0.03 0.00 0.00 54.58 52.57 1h7t n ASN 185 Cb 0.15 0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 1h7t n ASN 185 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1h7t h TYR 186 N 4.03 -0.02 -0.02 3.10 3.20 -0.82 -2.77 116.97 123.67 1h7t h TYR 186 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1h7t h TYR 186 Cb 0.92 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1h7t h TYR 186 CO 0.00 -0.02 0.18 0.66 -1.64 0.00 0.00 178.16 177.33 1h7t h SER 187 N 0.03 0.00 1.16 -2.11 4.64 -1.83 -1.22 113.55 114.23 1h7t h SER 187 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1h7t h SER 187 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1h7t h SER 187 CO -0.10 0.00 -0.39 1.56 -0.87 0.00 0.00 176.83 177.02 1h7t h GLN 188 N 0.00 0.00 -6.71 4.77 4.20 -1.82 -3.46 115.11 112.08 1h7t h GLN 188 Ca 0.01 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.21 1h7t h GLN 188 Cb 0.36 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.16 1h7t h GLN 188 CO -0.00 0.00 0.53 -0.51 -0.67 0.00 0.00 178.83 178.18 1h7t s LEU 189 N -4.55 4.48 0.29 1.46 1.43 -0.46 -5.03 118.68 116.30 1h7t s LEU 189 Ca 0.07 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.30 1h7t s LEU 189 Cb 0.12 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 1h7t s LEU 189 CO 0.68 -0.30 0.65 -2.16 0.23 0.00 0.00 176.35 175.45 1h7t s PRO 190 N -0.66 3.88 0.41 1.29 0.04 -1.26 -5.04 135.00 133.65 1h7t s PRO 190 Ca 0.50 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.73 1h7t s PRO 190 Cb -0.32 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 1h7t s PRO 190 CO 0.38 0.21 1.36 -1.21 0.04 0.00 0.00 177.00 177.79 1h7t s GLU 191 N -3.01 3.94 0.20 4.56 2.02 -1.26 -4.95 118.70 120.21 1h7t s GLU 191 Ca 0.51 2.29 0.06 0.00 0.02 0.00 0.00 54.97 57.84 1h7t s GLU 191 Cb -0.11 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1h7t s GLU 191 CO 0.21 -0.56 0.18 -1.54 0.02 0.00 0.00 175.26 173.56 1h7t s SER 192 N -0.57 5.58 0.12 -0.19 1.04 -1.26 -5.01 113.70 113.40 1h7t s SER 192 Ca 0.57 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.63 1h7t s SER 192 Cb -0.41 -1.46 -0.06 0.00 0.10 0.00 0.00 66.02 64.19 1h7t s SER 192 CO 0.53 0.02 1.74 -0.03 0.98 0.00 0.00 173.24 176.48 1h7t h MET 193 N 1.97 0.10 0.00 4.02 4.05 -1.96 -0.69 114.93 122.41 1h7t h MET 193 Ca -0.48 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 58.90 1h7t h MET 193 Cb 1.22 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 1h7t h MET 193 CO 0.62 0.06 -0.17 -1.35 0.23 0.00 0.00 176.91 176.31 1h7t h PRO 194 N 0.10 0.00 0.19 0.39 0.11 -1.96 -0.42 132.00 130.41 1h7t h PRO 194 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1h7t h PRO 194 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1h7t h PRO 194 CO -0.09 0.17 -0.09 1.49 -0.21 0.00 0.00 178.00 179.27 1h7t h GLU 195 N 0.00 -0.24 -0.55 1.05 4.81 -1.61 -1.39 114.58 116.64 1h7t h GLU 195 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1h7t h GLU 195 Cb 0.31 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1h7t h GLU 195 CO 0.02 0.05 0.28 1.96 -0.73 0.00 0.00 179.01 180.59 1h7t h GLN 196 N -0.54 0.76 0.02 1.92 4.20 -0.70 0.50 115.11 121.28 1h7t h GLN 196 Ca -0.03 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1h7t h GLN 196 Cb 0.41 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1h7t h GLN 196 CO 0.04 0.58 -0.01 0.00 -0.67 0.00 0.00 178.83 178.77 1h7t h ALA 197 N 1.54 -0.03 0.00 3.87 0.00 -1.07 -3.30 119.26 120.26 1h7t h ALA 197 Ca 0.19 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1h7t h ALA 197 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1h7t h ALA 197 CO -0.03 -0.14 -0.38 0.93 0.00 0.00 0.00 179.25 179.63 1h7t h GLU 198 N -0.78 0.00 -4.95 0.00 4.39 -1.25 -3.48 114.58 108.51 1h7t h GLU 198 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 1h7t h GLU 198 Cb 0.71 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.51 1h7t h GLU 198 CO 0.01 0.38 -0.66 0.45 -1.16 0.00 0.00 179.01 178.03 1h7t n SER 199 N -3.37 -5.74 -3.58 1.42 2.88 0.17 -4.93 113.62 100.47 1h7t n SER 199 Ca 0.01 -0.55 -0.26 0.00 -1.33 0.00 0.00 58.87 56.74 1h7t n SER 199 Cb 0.58 -4.27 -0.16 0.00 -0.75 0.00 0.00 64.21 59.61 1h7t n SER 199 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1h7t s LEU 200 N -4.86 0.33 0.44 2.46 1.43 -1.03 -5.05 118.68 112.39 1h7t s LEU 200 Ca 0.35 -0.72 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1h7t s LEU 200 Cb -0.05 -0.18 0.96 0.00 0.03 0.00 0.00 46.19 46.95 1h7t s LEU 200 CO 0.59 -0.37 2.07 -0.08 0.23 0.00 0.00 176.35 178.79 1h7t h GLU 201 N 8.40 0.36 0.00 1.70 4.81 -1.96 -2.71 114.58 125.18 1h7t h GLU 201 Ca -0.16 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1h7t h GLU 201 Cb 1.12 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1h7t h GLU 201 CO 0.32 0.26 -0.03 -0.56 -0.73 0.00 0.00 179.01 178.28 1h7t h GLN 202 N 0.36 0.00 0.00 1.92 -0.00 -1.98 -1.97 115.11 113.44 1h7t h GLN 202 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1h7t h GLN 202 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1h7t h GLN 202 CO -0.02 0.03 0.00 1.28 -0.00 0.00 0.00 178.83 180.12 1h7t n LEU 203 N -3.38 0.03 0.12 0.06 4.77 -1.02 -2.13 117.00 115.45 1h7t n LEU 203 Ca -0.02 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 1h7t n LEU 203 Cb 0.14 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1h7t n LEU 203 CO 0.25 -0.26 0.43 -0.09 -1.33 0.00 0.00 177.39 176.38 1h7t h ARG 204 N 0.00 0.00 0.01 3.23 2.43 -1.55 -2.28 114.38 116.22 1h7t h ARG 204 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1h7t h ARG 204 Cb 0.26 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1h7t h ARG 204 CO 0.00 0.68 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.54 1h7t h LEU 205 N 0.00 0.45 -1.22 3.80 3.38 -1.61 -3.20 115.31 116.90 1h7t h LEU 205 Ca -0.01 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 57.13 1h7t h LEU 205 Cb 1.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1h7t h LEU 205 CO 0.09 1.18 0.00 0.24 0.09 0.00 0.00 178.44 180.03 1h7t h MET 206 N -0.23 0.53 -0.51 1.13 2.86 -1.56 -1.48 114.93 115.67 1h7t h MET 206 Ca -0.07 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1h7t h MET 206 Cb 1.27 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1h7t h MET 206 CO 0.10 0.56 0.29 -0.97 1.06 0.00 0.00 176.91 177.95 1h7t h ASN 207 N 0.51 0.61 0.38 1.22 -1.24 -1.47 -1.37 115.58 114.21 1h7t h ASN 207 Ca 0.11 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1h7t h ASN 207 Cb 0.33 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1h7t h ASN 207 CO 0.01 0.48 -0.07 0.00 -1.29 0.00 0.00 177.43 176.56 1h7t n ALA 208 N -2.46 2.68 -0.66 1.57 0.00 -0.63 -4.91 120.51 116.09 1h7t n ALA 208 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1h7t n ALA 208 Cb 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1h7t n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h7t n GLY 209 N 1.26 0.64 3.66 0.00 0.00 -0.52 -5.03 105.19 105.20 1h7t n GLY 209 Ca 0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1h7t n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h7t s ILE 210 N -2.00 4.78 0.25 -0.61 1.01 -0.77 -5.00 121.20 118.86 1h7t s ILE 210 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 1h7t s ILE 210 Cb 0.00 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 1h7t s ILE 210 CO 0.00 -0.10 1.22 0.21 0.00 0.00 0.00 174.94 176.27 1h7t s ASN 211 N 1.25 7.03 -0.24 3.58 2.47 -1.26 -4.19 114.94 123.57 1h7t s ASN 211 Ca 0.40 2.39 0.01 0.00 0.42 0.00 0.00 52.86 56.07 1h7t s ASN 211 Cb -0.15 -2.62 0.06 0.00 -1.45 0.00 0.00 41.25 37.08 1h7t s ASN 211 CO 0.08 -0.37 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.41 1h7t s ILE 212 N -0.61 1.54 -0.00 -5.21 1.01 -1.26 -3.15 121.20 113.52 1h7t s ILE 212 Ca 0.50 -1.26 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 1h7t s ILE 212 Cb -0.35 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1h7t s ILE 212 CO 0.42 -0.12 0.59 -0.60 0.00 0.00 0.00 174.94 175.23 1h7t s ARG 213 N 1.38 4.31 -0.31 2.79 3.52 -0.79 -0.99 118.95 128.86 1h7t s ARG 213 Ca -0.05 0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 56.25 1h7t s ARG 213 Cb -0.19 -3.34 0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1h7t s ARG 213 CO -0.07 0.38 0.03 0.99 -0.81 0.00 0.00 175.30 175.82 1h7t s THR 214 N -0.23 3.19 -0.02 4.11 2.01 -0.12 -0.84 115.64 123.74 1h7t s THR 214 Ca 0.31 -1.33 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 1h7t s THR 214 Cb -0.18 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1h7t s THR 214 CO 0.17 -0.13 0.60 -0.36 -0.69 0.00 0.00 174.62 174.21 1h7t s PHE 215 N 1.29 3.66 0.03 4.92 0.08 -0.44 -4.86 117.98 122.66 1h7t s PHE 215 Ca -0.04 1.18 -0.21 0.00 0.12 0.00 0.00 56.93 57.98 1h7t s PHE 215 Cb -0.20 -2.62 -0.06 0.00 -0.57 0.00 0.00 43.02 39.58 1h7t s PHE 215 CO -0.00 0.32 0.61 -2.00 -0.10 0.00 0.00 175.22 174.05 1h7t s GLU 216 N -0.07 4.32 0.38 0.44 2.12 -1.26 -2.11 118.70 122.52 1h7t s GLU 216 Ca 0.31 0.79 0.05 0.00 0.36 0.00 0.00 54.97 56.48 1h7t s GLU 216 Cb -0.18 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1h7t s GLU 216 CO 0.17 0.44 0.19 0.14 -0.54 0.00 0.00 175.26 175.65 1h7t s VAL 217 N -0.46 0.35 0.71 3.70 -7.23 -0.38 -4.95 120.40 112.14 1h7t s VAL 217 Ca 0.31 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1h7t s VAL 217 Cb -0.19 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1h7t s VAL 217 CO 0.19 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 176.05 1h7t s ALA 218 N -3.31 2.68 0.06 1.32 0.00 -1.26 -4.37 121.76 116.87 1h7t s ALA 218 Ca 0.30 -0.08 -0.36 0.00 0.00 0.00 0.00 51.96 51.81 1h7t s ALA 218 Cb 0.02 -3.12 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 1h7t s ALA 218 CO 0.19 -1.24 1.46 0.00 0.00 0.00 0.00 175.76 176.18 1h7t n ALA 219 N -3.12 -0.26 -2.08 0.00 0.00 -1.26 -4.87 120.51 108.92 1h7t n ALA 219 Ca 0.07 0.48 -0.24 0.00 0.00 0.00 0.00 53.44 53.74 1h7t n ALA 219 Cb 0.55 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.86 1h7t n ALA 219 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1h7t s THR 220 N 1.08 3.19 0.59 0.00 -4.23 -1.26 -5.10 115.64 109.91 1h7t s THR 220 Ca 0.85 -0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1h7t s THR 220 Cb -0.89 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 1h7t s THR 220 CO 0.47 -0.22 0.98 -0.83 -0.54 0.00 0.00 174.62 174.48 1h7t s GLY 221 N -4.36 1.66 0.59 3.99 0.00 -1.26 -5.05 107.32 102.90 1h7t s GLY 221 Ca 0.55 -0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.94 1h7t s GLY 221 CO 0.42 0.11 1.16 2.56 0.00 0.00 0.00 173.10 177.34 1h7t s PRO 222 N -5.01 3.05 0.59 2.90 0.04 -1.26 -4.96 135.00 130.35 1h7t s PRO 222 Ca 0.54 1.66 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1h7t s PRO 222 Cb -0.11 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1h7t s PRO 222 CO 0.51 -1.10 0.81 0.20 0.04 0.00 0.00 177.00 177.45 1h7t s GLY 223 N -1.86 1.81 -0.40 0.56 0.00 -1.26 -4.77 107.32 101.40 1h7t s GLY 223 Ca 0.74 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 1h7t s GLY 223 CO 0.33 -1.28 0.20 0.14 0.00 0.00 0.00 173.10 172.48 1h7t s VAL 224 N -2.79 3.48 0.00 1.40 1.01 -0.07 -4.76 120.40 118.67 1h7t s VAL 224 Ca 0.61 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1h7t s VAL 224 Cb -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1h7t s VAL 224 CO 0.39 -0.58 0.00 -0.90 0.00 0.00 0.00 175.10 174.01 1h7t n ASP 225 N 4.68 3.35 -4.58 3.32 5.68 -1.26 -4.87 116.55 122.86 1h7t n ASP 225 Ca -0.06 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 53.98 1h7t n ASP 225 Cb 0.42 0.19 -0.09 0.00 -1.14 0.00 0.00 41.12 40.50 1h7t n ASP 225 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1h7t s THR 226 N -1.74 3.17 -1.36 2.12 -4.23 -1.26 -4.53 115.64 107.80 1h7t s THR 226 Ca 0.00 -1.84 0.14 0.00 -1.18 0.00 0.00 61.69 58.81 1h7t s THR 226 Cb 0.00 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.45 1h7t s THR 226 CO 0.00 -0.23 1.41 -0.81 -0.54 0.00 0.00 174.62 174.44 1h7t n PRO 227 N -0.35 0.17 0.11 3.99 -0.04 -1.26 -2.23 135.00 135.39 1h7t n PRO 227 Ca -0.09 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1h7t n PRO 227 Cb 0.57 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 1h7t n PRO 227 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h7t h ALA 228 N 2.66 0.02 -0.06 0.55 0.00 -2.00 -3.21 119.26 117.22 1h7t h ALA 228 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 54.91 53.74 1h7t h ALA 228 Cb 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1h7t h ALA 228 CO 0.00 0.89 -0.67 0.00 0.00 0.00 0.00 179.25 179.47 1h7t h LEU 230 N 0.18 0.93 -0.54 0.00 5.85 -1.56 0.14 115.31 120.30 1h7t h LEU 230 Ca -0.02 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.40 1h7t h LEU 230 Cb 1.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1h7t h LEU 230 CO 0.10 0.85 -0.62 -0.33 -0.34 0.00 0.00 178.44 178.10 1h7t h GLU 231 N 0.98 0.38 -0.30 1.25 4.39 -1.55 -2.05 114.58 117.68 1h7t h GLU 231 Ca 0.22 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1h7t h GLU 231 Cb 0.24 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1h7t h GLU 231 CO -0.01 0.88 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.42 1h7t h LYS 232 N 0.28 0.59 -0.58 2.33 3.64 -1.14 -2.24 116.57 119.45 1h7t h LYS 232 Ca -0.01 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1h7t h LYS 232 Cb 1.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1h7t h LYS 232 CO 0.11 0.78 0.01 0.28 -2.27 0.00 0.00 179.45 178.36 1h7t h VAL 233 N 0.35 1.26 -0.80 2.00 2.07 -0.71 -1.02 116.25 119.40 1h7t h VAL 233 Ca 0.08 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1h7t h VAL 233 Cb 0.57 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1h7t h VAL 233 CO 0.03 0.40 0.39 0.03 0.02 0.00 0.00 177.57 178.44 1h7t h ARG 234 N 0.92 1.15 -0.28 1.57 3.08 -1.31 0.02 114.38 119.54 1h7t h ARG 234 Ca 0.17 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1h7t h ARG 234 Cb 0.52 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1h7t h ARG 234 CO 0.03 0.89 0.06 0.00 -1.07 0.00 0.00 179.97 179.88 1h7t h ALA 235 N 1.20 0.37 -0.22 0.04 0.00 -1.08 -2.00 119.26 117.58 1h7t h ALA 235 Ca 0.28 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1h7t h ALA 235 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h7t h ALA 235 CO -0.04 0.03 -0.30 -0.07 0.00 0.00 0.00 179.25 178.88 1h7t h LEU 236 N 0.28 0.44 0.00 0.00 3.38 -0.90 -2.98 115.31 115.53 1h7t h LEU 236 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1h7t h LEU 236 Cb 0.30 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h7t h LEU 236 CO 0.00 0.72 -0.24 0.23 0.09 0.00 0.00 178.44 179.24 1h7t n MET 237 N -4.10 0.18 0.05 1.13 2.81 -0.03 -2.95 117.12 114.21 1h7t n MET 237 Ca -0.01 0.10 -0.21 0.00 -1.81 0.00 0.00 57.70 55.78 1h7t n MET 237 Cb 0.43 -1.66 -0.15 0.00 -0.71 0.00 0.00 33.22 31.13 1h7t n MET 237 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h7t h ALA 238 N 2.69 -0.07 0.00 3.04 0.00 -1.22 -3.31 119.26 120.40 1h7t h ALA 238 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1h7t h ALA 238 Cb 0.65 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1h7t h ALA 238 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1h7t n GLN 239 N -4.07 0.19 0.00 0.00 10.64 -1.16 -2.59 117.38 120.39 1h7t n GLN 239 Ca -0.15 0.25 0.13 0.00 -1.83 0.00 0.00 57.00 55.40 1h7t n GLN 239 Cb 0.86 -1.76 0.79 0.00 -0.86 0.00 0.00 30.24 29.26 1h7t n GLN 239 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1h7t n GLU 240 N -2.10 0.99 0.00 2.61 2.13 -1.15 -5.12 120.64 117.99 1h7t n GLU 240 Ca 0.05 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.91 1h7t n GLU 240 Cb 0.34 -1.42 0.04 0.00 0.27 0.00 0.00 31.44 30.67 1h7t n GLU 240 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00