#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdx n THR 2 N 0.00 0.00 -1.53 0.44 -2.24 -1.26 -4.96 114.28 104.73 1hdx n THR 2 Ca 0.00 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 1hdx n THR 2 Cb 0.00 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 1hdx n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hdx n ALA 3 N -1.61 0.66 0.00 6.98 0.00 -1.26 -0.60 120.51 124.68 1hdx n ALA 3 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1hdx n ALA 3 Cb 0.16 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1hdx n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hdx n GLY 4 N 6.18 3.19 3.13 0.00 0.00 -1.26 -5.13 105.19 111.30 1hdx n GLY 4 Ca 0.46 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1hdx n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hdx n LYS 5 N 0.00 0.61 -1.51 1.61 4.76 0.23 -4.81 118.16 119.04 1hdx n LYS 5 Ca 0.00 -2.72 -0.47 0.00 -2.87 0.00 0.00 58.31 52.25 1hdx n LYS 5 Cb 0.00 2.54 -0.02 0.00 -1.84 0.00 0.00 35.03 35.70 1hdx n LYS 5 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1hdx n VAL 6 N -0.55 1.85 -4.53 -0.18 0.31 -1.26 -4.52 118.33 109.45 1hdx n VAL 6 Ca 0.02 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 1hdx n VAL 6 Cb 0.55 -0.58 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 1hdx n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1hdx s ILE 7 N -0.93 2.71 -0.07 2.52 1.01 -0.87 -4.97 121.20 120.59 1hdx s ILE 7 Ca 0.63 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1hdx s ILE 7 Cb -0.82 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 1hdx s ILE 7 CO 0.58 0.23 -0.19 -0.75 0.00 0.00 0.00 174.94 174.80 1hdx s LYS 8 N -1.73 2.68 0.39 2.79 2.20 -1.26 -1.78 119.74 123.03 1hdx s LYS 8 Ca 0.16 -0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 54.83 1hdx s LYS 8 Cb -0.10 -2.31 0.05 0.00 -1.51 0.00 0.00 37.83 33.96 1hdx s LYS 8 CO 0.07 0.43 0.76 0.00 -0.36 0.00 0.00 175.35 176.25 1hdx s LYS 10 N -2.16 3.83 -0.01 0.00 -0.14 -1.26 -0.62 119.74 119.38 1hdx s LYS 10 Ca 0.17 0.28 -0.19 0.00 -1.36 0.00 0.00 55.97 54.87 1hdx s LYS 10 Cb -0.05 -3.05 0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1hdx s LYS 10 CO 0.13 0.59 0.40 0.00 -0.76 0.00 0.00 175.35 175.71 1hdx s ALA 11 N -1.32 -1.02 -0.35 5.17 0.00 -0.26 -2.35 121.76 121.63 1hdx s ALA 11 Ca 0.31 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 1hdx s ALA 11 Cb -0.15 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1hdx s ALA 11 CO 0.17 -0.32 0.59 0.00 0.00 0.00 0.00 175.76 176.20 1hdx s ALA 12 N -1.53 3.47 -0.08 0.00 0.00 -0.68 -0.33 121.76 122.61 1hdx s ALA 12 Ca -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1hdx s ALA 12 Cb -0.03 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1hdx s ALA 12 CO 0.04 -1.27 0.12 0.08 0.00 0.00 0.00 175.76 174.73 1hdx s VAL 13 N 2.58 5.19 -0.23 0.00 1.01 0.92 -4.54 120.40 125.33 1hdx s VAL 13 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1hdx s VAL 13 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1hdx s VAL 13 CO 0.14 0.53 -0.04 -0.22 0.00 0.00 0.00 175.10 175.50 1hdx s LEU 14 N -1.27 3.03 -0.04 3.92 2.96 -0.95 -1.18 118.68 125.15 1hdx s LEU 14 Ca 0.18 -0.57 0.15 0.00 -0.22 0.00 0.00 54.13 53.67 1hdx s LEU 14 Cb -0.12 -1.72 -0.23 0.00 0.50 0.00 0.00 46.19 44.62 1hdx s LEU 14 CO 0.08 -0.07 0.30 0.79 -1.32 0.00 0.00 176.35 176.13 1hdx n TRP 15 N 4.76 0.00 -4.00 5.38 7.02 -1.26 -1.81 117.44 127.53 1hdx n TRP 15 Ca -0.17 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.21 1hdx n TRP 15 Cb 0.49 -0.41 -0.08 0.00 -2.42 0.00 0.00 31.31 28.89 1hdx n TRP 15 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1hdx s GLU 16 N -2.98 0.99 0.20 -0.99 2.12 -1.26 -4.62 118.70 112.16 1hdx s GLU 16 Ca -0.06 -1.20 -0.28 0.00 0.36 0.00 0.00 54.97 53.79 1hdx s GLU 16 Cb 0.09 0.32 -0.08 0.00 0.26 0.00 0.00 34.13 34.72 1hdx s GLU 16 CO 0.64 -0.33 0.89 0.08 -0.54 0.00 0.00 175.26 176.00 1hdx s VAL 17 N -3.96 4.23 -0.48 3.70 1.01 -1.26 -3.82 120.40 119.82 1hdx s VAL 17 Ca 0.16 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1hdx s VAL 17 Cb 0.05 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1hdx s VAL 17 CO -0.03 0.48 0.00 0.29 0.00 0.00 0.00 175.10 175.85 1hdx n LYS 18 N 1.72 -1.26 -4.22 2.72 5.02 -0.51 -5.00 118.16 116.62 1hdx n LYS 18 Ca -0.03 0.55 -0.32 0.00 -2.02 0.00 0.00 58.31 56.50 1hdx n LYS 18 Cb 0.48 -4.61 -0.08 0.00 -0.02 0.00 0.00 35.03 30.80 1hdx n LYS 18 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1hdx s LYS 19 N -1.95 2.73 1.00 1.97 -0.14 -1.25 -5.10 119.74 116.99 1hdx s LYS 19 Ca 0.00 -0.68 -0.11 0.00 -1.36 0.00 0.00 55.97 53.82 1hdx s LYS 19 Cb 0.00 -2.64 0.19 0.00 -1.68 0.00 0.00 37.83 33.70 1hdx s LYS 19 CO 0.00 0.60 1.09 -2.14 -0.76 0.00 0.00 175.35 174.13 1hdx s PRO 20 N -1.83 0.42 0.81 -1.68 0.02 -1.26 -4.87 135.00 126.61 1hdx s PRO 20 Ca 0.22 1.08 -0.12 0.00 0.02 0.00 0.00 61.00 62.20 1hdx s PRO 20 Cb -0.12 -1.69 0.08 0.00 0.02 0.00 0.00 34.50 32.79 1hdx s PRO 20 CO 0.13 -2.89 1.10 -0.06 -0.33 0.00 0.00 177.00 174.96 1hdx s PHE 21 N -2.67 2.79 -0.07 6.54 0.40 -1.26 -4.78 117.98 118.92 1hdx s PHE 21 Ca 0.66 1.12 -0.00 0.00 -0.60 0.00 0.00 56.93 58.11 1hdx s PHE 21 Cb -0.22 -3.15 0.02 0.00 0.51 0.00 0.00 43.02 40.18 1hdx s PHE 21 CO 0.60 -1.84 -0.04 -1.54 0.70 0.00 0.00 175.22 173.10 1hdx s SER 22 N -3.91 1.57 -0.36 1.36 1.04 -0.32 -4.94 113.70 108.13 1hdx s SER 22 Ca 0.61 -0.17 -0.25 0.00 0.48 0.00 0.00 55.95 56.62 1hdx s SER 22 Cb -0.14 -0.57 0.01 0.00 0.10 0.00 0.00 66.02 65.42 1hdx s SER 22 CO 0.54 -0.12 0.88 -0.63 0.98 0.00 0.00 173.24 174.89 1hdx s ILE 23 N 1.50 4.64 0.48 -1.02 1.09 -1.26 -0.05 121.20 126.57 1hdx s ILE 23 Ca -0.01 1.12 0.02 0.00 -1.10 0.00 0.00 60.65 60.68 1hdx s ILE 23 Cb -0.13 -4.29 -0.02 0.00 -1.06 0.00 0.00 42.46 36.96 1hdx s ILE 23 CO -0.04 -0.49 0.03 -1.61 -0.10 0.00 0.00 174.94 172.73 1hdx s GLU 24 N 3.34 2.11 -0.24 2.79 2.02 0.55 -4.88 118.70 124.38 1hdx s GLU 24 Ca 0.36 -2.32 -0.10 0.00 0.02 0.00 0.00 54.97 52.93 1hdx s GLU 24 Cb -0.12 -1.32 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1hdx s GLU 24 CO 0.18 -0.36 0.14 -0.51 0.02 0.00 0.00 175.26 174.73 1hdx s ASP 25 N -3.80 5.90 0.25 -0.19 1.01 -1.26 -1.10 116.67 117.49 1hdx s ASP 25 Ca 0.13 0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.49 1hdx s ASP 25 Cb 0.03 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 1hdx s ASP 25 CO 0.07 0.05 -0.05 0.68 0.21 0.00 0.00 175.17 176.12 1hdx s VAL 26 N 1.17 1.46 -0.10 -1.27 -7.23 0.21 -4.61 120.40 110.04 1hdx s VAL 26 Ca 0.07 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1hdx s VAL 26 Cb -0.14 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1hdx s VAL 26 CO 0.05 -0.36 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.64 1hdx s GLU 27 N -3.76 3.00 -0.30 4.82 8.01 -0.51 -1.06 118.70 128.90 1hdx s GLU 27 Ca 0.28 -0.86 -0.09 0.00 0.01 0.00 0.00 54.97 54.30 1hdx s GLU 27 Cb 0.04 -2.31 -0.01 0.00 -4.31 0.00 0.00 34.13 27.54 1hdx s GLU 27 CO 0.10 0.22 0.14 0.08 0.01 0.00 0.00 175.26 175.80 1hdx s VAL 28 N 0.25 4.52 0.73 2.63 1.01 -0.73 -1.59 120.40 127.21 1hdx s VAL 28 Ca -0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1hdx s VAL 28 Cb -0.17 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1hdx s VAL 28 CO 0.08 0.11 1.08 0.00 0.00 0.00 0.00 175.10 176.36 1hdx s ALA 29 N 1.61 2.45 0.56 5.51 0.00 -0.60 -2.06 121.76 129.23 1hdx s ALA 29 Ca 0.05 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 1hdx s ALA 29 Cb -0.17 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1hdx s ALA 29 CO 0.06 -1.49 1.15 -1.25 0.00 0.00 0.00 175.76 174.22 1hdx s PRO 30 N -4.88 3.24 0.05 0.00 0.04 -1.26 -4.88 135.00 127.31 1hdx s PRO 30 Ca 0.60 1.66 -0.35 0.00 0.04 0.00 0.00 61.00 62.96 1hdx s PRO 30 Cb -0.16 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 1hdx s PRO 30 CO 0.54 -0.95 1.65 -0.35 0.04 0.00 0.00 177.00 177.93 1hdx n PRO 31 N -1.41 1.97 0.00 0.56 -0.04 -1.26 -5.03 135.00 129.79 1hdx n PRO 31 Ca 0.12 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1hdx n PRO 31 Cb 0.51 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1hdx n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1hdx n LYS 32 N 4.38 1.30 -2.13 0.54 5.02 -1.26 -4.58 118.16 121.43 1hdx n LYS 32 Ca 0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 1hdx n LYS 32 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.25 1hdx n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hdx s ALA 33 N -3.79 3.54 -1.53 7.82 0.00 -1.26 -3.01 121.76 123.53 1hdx s ALA 33 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 1hdx s ALA 33 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1hdx s ALA 33 CO 0.00 -0.62 0.17 0.66 0.00 0.00 0.00 175.76 175.98 1hdx n TYR 34 N 1.74 -1.38 -4.57 0.00 4.01 -0.15 -4.90 117.16 111.90 1hdx n TYR 34 Ca 0.03 0.15 -0.26 0.00 -0.16 0.00 0.00 57.90 57.66 1hdx n TYR 34 Cb 0.42 -3.73 -0.11 0.00 -0.31 0.00 0.00 39.34 35.60 1hdx n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1hdx s GLU 35 N -5.26 1.87 -0.03 -0.72 2.02 -1.16 -0.53 118.70 114.89 1hdx s GLU 35 Ca 0.10 -2.04 -0.03 0.00 0.02 0.00 0.00 54.97 53.02 1hdx s GLU 35 Cb -0.05 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.72 1hdx s GLU 35 CO 0.12 -0.06 0.07 0.08 0.02 0.00 0.00 175.26 175.49 1hdx s VAL 36 N -2.83 -0.00 -0.18 2.63 1.01 -0.08 -0.71 120.40 120.25 1hdx s VAL 36 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1hdx s VAL 36 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 1hdx s VAL 36 CO 0.17 0.00 -0.07 -0.60 0.00 0.00 0.00 175.10 174.60 1hdx s ARG 37 N 0.05 3.45 0.11 2.72 3.52 -0.09 -0.57 118.95 128.14 1hdx s ARG 37 Ca -0.00 -0.62 0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1hdx s ARG 37 Cb -0.01 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1hdx s ARG 37 CO 0.00 0.04 -0.19 0.42 -0.81 0.00 0.00 175.30 174.76 1hdx s ILE 38 N 0.86 2.78 -0.29 4.11 1.01 0.05 -1.57 121.20 128.15 1hdx s ILE 38 Ca -0.02 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.05 1hdx s ILE 38 Cb -0.15 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1hdx s ILE 38 CO 0.01 0.14 0.17 -0.75 0.00 0.00 0.00 174.94 174.50 1hdx s LYS 39 N -2.03 3.66 -0.21 2.79 2.47 -0.04 -1.52 119.74 124.85 1hdx s LYS 39 Ca 0.17 -0.51 -0.29 0.00 -1.56 0.00 0.00 55.97 53.78 1hdx s LYS 39 Cb -0.10 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 1hdx s LYS 39 CO 0.09 -0.29 1.15 -1.64 0.16 0.00 0.00 175.35 174.82 1hdx s MET 40 N 1.69 4.22 -0.20 4.03 -1.94 -0.14 -1.65 119.30 125.31 1hdx s MET 40 Ca 0.06 1.46 -0.19 0.00 -1.71 0.00 0.00 55.69 55.31 1hdx s MET 40 Cb -0.16 -3.71 -0.20 0.00 2.01 0.00 0.00 34.83 32.77 1hdx s MET 40 CO 0.08 -0.71 0.20 0.28 -0.01 0.00 0.00 175.02 174.86 1hdx n VAL 41 N 5.43 1.58 -3.73 -6.03 0.31 -0.91 -4.55 118.33 110.42 1hdx n VAL 41 Ca 0.13 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 1hdx n VAL 41 Cb 0.46 -1.98 -0.09 0.00 -0.91 0.00 0.00 33.84 31.32 1hdx n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hdx s ALA 42 N -2.40 -0.92 0.03 3.52 0.00 -1.19 -1.49 121.76 119.30 1hdx s ALA 42 Ca -0.28 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1hdx s ALA 42 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1hdx s ALA 42 CO 0.61 -0.25 -0.08 0.14 0.00 0.00 0.00 175.76 176.19 1hdx s VAL 43 N -0.85 0.61 -0.11 0.00 -7.23 0.01 -2.74 120.40 110.09 1hdx s VAL 43 Ca -0.09 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.26 1hdx s VAL 43 Cb -0.04 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1hdx s VAL 43 CO 0.04 -0.14 0.07 -0.83 -0.31 0.00 0.00 175.10 173.93 1hdx s GLY 44 N -0.99 1.99 -0.47 2.32 0.00 -0.43 -0.53 107.32 109.21 1hdx s GLY 44 Ca -0.04 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 1hdx s GLY 44 CO 0.00 -0.43 0.94 -0.42 0.00 0.00 0.00 173.10 173.19 1hdx s ILE 45 N -0.83 4.45 0.41 0.90 1.01 -0.86 -4.38 121.20 121.89 1hdx s ILE 45 Ca 0.13 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.55 1hdx s ILE 45 Cb -0.12 -4.45 -0.01 0.00 0.01 0.00 0.00 42.46 37.89 1hdx s ILE 45 CO 0.03 -0.87 0.60 0.00 0.00 0.00 0.00 174.94 174.70 1hdx n ARG 47 N -1.92 0.11 -0.29 0.00 3.00 -1.26 -3.30 116.66 112.99 1hdx n ARG 47 Ca 0.00 0.08 -0.03 0.00 -0.00 0.00 0.00 57.85 57.91 1hdx n ARG 47 Cb 0.58 -1.62 0.09 0.00 0.00 0.00 0.00 32.46 31.51 1hdx n ARG 47 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1hdx h THR 48 N 0.00 1.15 -0.25 5.15 2.02 -2.00 -1.58 112.91 117.40 1hdx h THR 48 Ca 0.00 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1hdx h THR 48 Cb 0.60 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1hdx h THR 48 CO 0.00 0.19 0.06 0.44 0.37 0.00 0.00 175.52 176.58 1hdx h ASP 49 N 1.03 0.03 0.15 4.18 3.32 -1.97 -0.73 116.42 122.43 1hdx h ASP 49 Ca 0.31 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 1hdx h ASP 49 Cb -0.04 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1hdx h ASP 49 CO -0.10 0.05 -0.19 -0.78 -1.72 0.00 0.00 179.24 176.51 1hdx h ASP 50 N 0.16 0.07 0.13 6.45 3.58 -1.63 -1.53 116.42 123.66 1hdx h ASP 50 Ca 0.12 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1hdx h ASP 50 Cb 0.11 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1hdx h ASP 50 CO -0.15 0.27 -0.08 0.45 -2.88 0.00 0.00 179.24 176.85 1hdx h HIS 51 N 0.07 0.00 -0.01 0.28 3.86 -0.12 -1.09 115.15 118.15 1hdx h HIS 51 Ca 0.01 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 1hdx h HIS 51 Cb 0.38 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.87 1hdx h HIS 51 CO 0.00 0.08 -0.81 0.28 0.86 0.00 0.00 177.93 178.34 1hdx h VAL 52 N 0.00 1.35 -0.38 2.45 2.07 -1.21 0.15 116.25 120.68 1hdx h VAL 52 Ca -0.00 -2.15 0.07 0.00 0.82 0.00 0.00 66.70 65.44 1hdx h VAL 52 Cb 0.17 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 1hdx h VAL 52 CO 0.01 0.65 0.01 0.58 0.02 0.00 0.00 177.57 178.84 1hdx h VAL 53 N 0.16 0.72 -0.22 2.57 2.07 -1.10 -2.30 116.25 118.15 1hdx h VAL 53 Ca -0.10 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1hdx h VAL 53 Cb 1.49 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1hdx h VAL 53 CO 0.16 0.02 -0.20 0.77 0.02 0.00 0.00 177.57 178.34 1hdx h SER 54 N 0.11 0.38 0.00 0.57 4.64 -1.29 -1.35 113.55 116.62 1hdx h SER 54 Ca 0.19 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1hdx h SER 54 Cb 0.26 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1hdx h SER 54 CO -0.30 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 1hdx n GLY 55 N -0.56 0.87 0.18 -0.77 0.00 -0.69 -4.82 105.19 99.40 1hdx n GLY 55 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1hdx n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1hdx h ASN 56 N 0.00 0.00 -3.31 1.61 2.35 -1.04 -3.40 115.58 111.78 1hdx h ASN 56 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1hdx h ASN 56 Cb 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.03 1hdx h ASN 56 CO 0.00 0.42 -0.85 -0.22 -1.65 0.00 0.00 177.43 175.13 1hdx s LEU 57 N -7.08 1.86 0.05 1.61 2.96 -0.31 -1.85 118.68 115.92 1hdx s LEU 57 Ca 0.00 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1hdx s LEU 57 Cb 0.11 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1hdx s LEU 57 CO 0.70 0.07 0.14 -0.69 -1.32 0.00 0.00 176.35 175.25 1hdx s VAL 58 N 0.71 4.97 -0.03 1.68 1.01 -1.26 -4.02 120.40 123.45 1hdx s VAL 58 Ca -0.12 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1hdx s VAL 58 Cb -0.16 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.93 1hdx s VAL 58 CO 0.03 0.19 0.80 0.28 0.00 0.00 0.00 175.10 176.39 1hdx s THR 59 N -1.39 0.00 0.17 3.92 -1.32 -1.26 -4.87 115.64 110.89 1hdx s THR 59 Ca 0.30 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.47 1hdx s THR 59 Cb -0.12 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.77 1hdx s THR 59 CO 0.22 0.00 1.54 -2.16 -2.21 0.00 0.00 174.62 172.01 1hdx s PRO 60 N -2.04 4.23 0.29 7.08 0.04 -1.26 -5.06 135.00 138.28 1hdx s PRO 60 Ca -0.03 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.39 1hdx s PRO 60 Cb -0.01 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1hdx s PRO 60 CO -0.01 -0.57 0.43 -0.51 0.04 0.00 0.00 177.00 176.38 1hdx s LEU 61 N 0.96 4.16 0.86 -3.56 1.43 -1.26 -4.57 118.68 116.70 1hdx s LEU 61 Ca 0.68 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1hdx s LEU 61 Cb -0.43 -2.94 0.11 0.00 0.03 0.00 0.00 46.19 42.96 1hdx s LEU 61 CO 0.33 -0.21 1.10 -2.84 0.23 0.00 0.00 176.35 174.95 1hdx s PRO 62 N -4.11 1.53 0.10 1.29 0.02 -1.26 -4.87 135.00 127.70 1hdx s PRO 62 Ca 0.38 1.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.34 1hdx s PRO 62 Cb -0.09 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.66 1hdx s PRO 62 CO 0.31 -2.14 0.49 0.54 -0.33 0.00 0.00 177.00 175.87 1hdx s VAL 63 N -2.83 0.04 -0.29 3.83 0.11 -0.75 -0.92 120.40 119.58 1hdx s VAL 63 Ca 0.63 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1hdx s VAL 63 Cb -0.19 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1hdx s VAL 63 CO 0.57 -0.17 0.04 -0.63 -3.33 0.00 0.00 175.10 171.58 1hdx s ILE 64 N -3.15 3.49 0.00 7.04 1.01 -0.67 -2.25 121.20 126.67 1hdx s ILE 64 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1hdx s ILE 64 Cb 0.00 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1hdx s ILE 64 CO -0.07 0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.08 1hdx n LEU 65 N 4.77 0.00 0.00 2.97 4.77 -1.26 -3.64 117.00 124.60 1hdx n LEU 65 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1hdx n LEU 65 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1hdx n LEU 65 CO 0.29 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1hdx n GLY 66 N 4.84 2.29 0.00 -0.72 0.00 -1.26 -1.44 105.19 108.90 1hdx n GLY 66 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1hdx n GLY 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hdx n HIS 67 N 1.76 0.00 -2.91 1.61 1.44 -1.26 -2.15 115.22 113.70 1hdx n HIS 67 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1hdx n HIS 67 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1hdx n HIS 67 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1hdx s GLU 68 N 0.00 3.30 0.14 -1.40 2.12 -1.26 -4.70 118.70 116.89 1hdx s GLU 68 Ca 0.00 -0.36 -0.25 0.00 0.36 0.00 0.00 54.97 54.71 1hdx s GLU 68 Cb 0.00 -4.05 0.07 0.00 0.26 0.00 0.00 34.13 30.41 1hdx s GLU 68 CO 0.00 -1.39 1.00 0.00 -0.54 0.00 0.00 175.26 174.33 1hdx s ALA 69 N 3.62 -1.72 -0.03 6.30 0.00 -1.25 -1.31 121.76 127.37 1hdx s ALA 69 Ca 0.27 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 1hdx s ALA 69 Cb -0.14 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1hdx s ALA 69 CO 0.18 -1.05 0.25 0.00 0.00 0.00 0.00 175.76 175.14 1hdx s ALA 70 N -3.12 -0.61 0.00 0.00 0.00 -1.11 -4.07 121.76 112.85 1hdx s ALA 70 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1hdx s ALA 70 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1hdx s ALA 70 CO 0.02 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1hdx n GLY 71 N 1.73 2.21 3.38 0.00 0.00 -0.54 -2.14 105.19 109.83 1hdx n GLY 71 Ca -0.20 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1hdx n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hdx s ILE 72 N -2.95 2.40 -0.03 -0.61 1.01 -0.66 -1.32 121.20 119.04 1hdx s ILE 72 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 60.65 59.17 1hdx s ILE 72 Cb 0.00 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1hdx s ILE 72 CO 0.00 0.45 1.12 -0.69 0.00 0.00 0.00 174.94 175.81 1hdx s VAL 73 N -0.77 4.44 0.00 2.92 1.01 0.04 -0.87 120.40 127.17 1hdx s VAL 73 Ca 0.12 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1hdx s VAL 73 Cb -0.10 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1hdx s VAL 73 CO 0.02 0.05 0.00 1.21 0.00 0.00 0.00 175.10 176.38 1hdx n GLU 74 N 4.64 0.00 -4.42 2.72 0.00 -0.61 -0.20 120.64 122.78 1hdx n GLU 74 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.05 1hdx n GLU 74 Cb 0.48 -0.16 -0.14 0.00 0.00 0.00 0.00 31.44 31.62 1hdx n GLU 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1hdx s SER 75 N -1.00 1.60 0.18 4.31 1.04 -1.18 -4.38 113.70 114.26 1hdx s SER 75 Ca 0.00 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1hdx s SER 75 Cb 0.00 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1hdx s SER 75 CO 0.00 0.07 0.34 0.68 0.98 0.00 0.00 173.24 175.31 1hdx s VAL 76 N -0.68 5.26 0.61 5.02 -7.23 -1.26 -0.91 120.40 121.22 1hdx s VAL 76 Ca 0.02 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1hdx s VAL 76 Cb -0.07 -3.74 0.13 0.00 0.56 0.00 0.00 36.38 33.26 1hdx s VAL 76 CO 0.01 -0.14 0.83 0.61 -0.31 0.00 0.00 175.10 176.10 1hdx n GLY 77 N -0.62 -0.40 3.74 2.32 0.00 0.11 -4.97 105.19 105.38 1hdx n GLY 77 Ca -0.06 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1hdx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hdx s GLU 78 N -4.71 4.54 0.00 1.61 2.02 -1.24 -3.15 118.70 117.76 1hdx s GLU 78 Ca 0.51 1.84 0.00 0.00 0.02 0.00 0.00 54.97 57.34 1hdx s GLU 78 Cb -0.02 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1hdx s GLU 78 CO 0.35 0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1hdx n GLY 79 N 1.91 1.78 3.66 -1.39 0.00 -1.26 -0.98 105.19 108.91 1hdx n GLY 79 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1hdx n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hdx s VAL 80 N -2.40 3.68 -0.10 1.61 1.01 -1.19 -4.88 120.40 118.13 1hdx s VAL 80 Ca 0.00 0.82 0.11 0.00 0.00 0.00 0.00 61.98 62.90 1hdx s VAL 80 Cb 0.00 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 1hdx s VAL 80 CO 0.00 -0.10 0.27 1.07 0.00 0.00 0.00 175.10 176.34 1hdx n THR 81 N 5.62 0.00 0.03 3.92 5.66 -1.26 -4.76 114.28 123.48 1hdx n THR 81 Ca 0.17 -0.24 -0.07 0.00 -3.05 0.00 0.00 64.05 60.85 1hdx n THR 81 Cb 0.43 0.39 -0.12 0.00 -1.55 0.00 0.00 70.33 69.48 1hdx n THR 81 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1hdx h THR 82 N 0.00 1.33 -3.41 1.09 1.35 -1.97 -3.47 112.91 107.83 1hdx h THR 82 Ca 0.00 -3.09 -0.33 0.00 -0.55 0.00 0.00 66.41 62.44 1hdx h THR 82 Cb 0.44 2.65 -0.15 0.00 -1.73 0.00 0.00 68.15 69.37 1hdx h THR 82 CO 0.00 0.76 -0.70 0.68 -0.25 0.00 0.00 175.52 176.01 1hdx s VAL 83 N -2.68 1.11 0.04 6.82 -7.23 -1.26 -4.88 120.40 112.33 1hdx s VAL 83 Ca -0.01 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 1hdx s VAL 83 Cb 0.09 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 1hdx s VAL 83 CO 0.82 -0.68 0.07 -1.59 -0.31 0.00 0.00 175.10 173.41 1hdx s LYS 84 N -3.78 0.56 0.43 4.82 -2.85 -1.26 -4.95 119.74 112.72 1hdx s LYS 84 Ca 0.19 -0.80 -0.24 0.00 -1.00 0.00 0.00 55.97 54.12 1hdx s LYS 84 Cb 0.03 0.22 -0.10 0.00 -2.06 0.00 0.00 37.83 35.91 1hdx s LYS 84 CO 0.02 -0.13 0.95 -2.30 0.10 0.00 0.00 175.35 173.98 1hdx n PRO 85 N 0.76 1.22 0.00 1.78 -0.02 -1.26 -2.44 135.00 135.04 1hdx n PRO 85 Ca -0.19 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1hdx n PRO 85 Cb 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1hdx n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hdx n GLY 86 N 1.27 2.46 3.78 -1.23 0.00 0.73 -4.93 105.19 107.26 1hdx n GLY 86 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1hdx n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hdx s ASP 87 N -2.07 6.31 0.04 1.61 1.01 -1.02 -4.64 116.67 117.91 1hdx s ASP 87 Ca 0.00 2.17 -0.28 0.00 0.71 0.00 0.00 52.55 55.16 1hdx s ASP 87 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1hdx s ASP 87 CO 0.00 -0.82 0.87 -0.54 0.21 0.00 0.00 175.17 174.89 1hdx s LYS 88 N -2.77 4.57 0.06 8.23 1.02 -1.26 -0.78 119.74 128.81 1hdx s LYS 88 Ca 0.63 1.25 -0.03 0.00 0.02 0.00 0.00 55.97 57.84 1hdx s LYS 88 Cb -0.25 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1hdx s LYS 88 CO 0.30 0.16 0.02 0.14 -0.92 0.00 0.00 175.35 175.05 1hdx s VAL 89 N 0.30 0.20 -0.14 3.17 -7.23 -0.43 -2.61 120.40 113.65 1hdx s VAL 89 Ca 0.44 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1hdx s VAL 89 Cb -0.21 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.30 1hdx s VAL 89 CO 0.26 -0.92 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.39 1hdx s ILE 90 N -3.86 1.36 0.29 -0.62 1.01 -0.94 -1.47 121.20 116.96 1hdx s ILE 90 Ca 0.06 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1hdx s ILE 90 Cb 0.07 -1.33 -0.09 0.00 0.01 0.00 0.00 42.46 41.12 1hdx s ILE 90 CO -0.10 0.39 1.09 -2.16 0.00 0.00 0.00 174.94 174.16 1hdx s PRO 91 N 1.57 4.61 -0.21 2.79 0.04 -1.26 -1.74 135.00 140.80 1hdx s PRO 91 Ca 0.04 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 1hdx s PRO 91 Cb -0.13 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1hdx s PRO 91 CO -0.10 0.19 0.08 -0.51 0.04 0.00 0.00 177.00 176.71 1hdx s LEU 92 N -1.53 3.74 0.00 -3.56 1.43 -0.20 -4.72 118.68 113.84 1hdx s LEU 92 Ca 0.45 -0.01 0.15 0.00 -1.03 0.00 0.00 54.13 53.69 1hdx s LEU 92 Cb -0.31 -1.97 0.78 0.00 0.03 0.00 0.00 46.19 44.72 1hdx s LEU 92 CO 0.40 0.09 1.36 2.22 0.23 0.00 0.00 176.35 180.65 1hdx n PHE 93 N 4.10 0.00 -3.68 0.29 -1.74 -1.26 -4.30 117.46 110.86 1hdx n PHE 93 Ca -0.16 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.51 1hdx n PHE 93 Cb 0.52 -0.18 -0.18 0.00 1.52 0.00 0.00 39.48 41.17 1hdx n PHE 93 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1hdx s THR 94 N -2.36 0.01 0.88 1.97 2.01 -1.26 -4.78 115.64 112.11 1hdx s THR 94 Ca 0.17 0.22 -0.11 0.00 0.31 0.00 0.00 61.69 62.28 1hdx s THR 94 Cb 0.10 -0.34 0.12 0.00 0.01 0.00 0.00 72.50 72.39 1hdx s THR 94 CO 0.20 0.09 1.10 -2.16 -0.69 0.00 0.00 174.62 173.16 1hdx s PRO 95 N 2.11 1.40 -0.49 4.92 0.04 -1.26 -4.70 135.00 137.03 1hdx s PRO 95 Ca 0.04 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1hdx s PRO 95 Cb -0.13 -1.80 0.24 0.00 0.04 0.00 0.00 34.50 32.85 1hdx s PRO 95 CO -0.05 -2.22 0.60 0.94 0.04 0.00 0.00 177.00 176.30 1hdx n GLN 96 N -3.91 1.39 0.00 4.56 7.27 -0.26 -4.24 117.38 122.19 1hdx n GLN 96 Ca 0.09 -3.79 0.00 0.00 0.07 0.00 0.00 57.00 53.37 1hdx n GLN 96 Cb 0.54 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.54 1hdx n GLN 96 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hdx n GLY 98 N -1.20 0.86 0.00 0.00 0.00 -1.26 -4.70 105.19 98.89 1hdx n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hdx n GLY 98 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hdx n LYS 99 N -1.86 6.06 -2.18 1.61 -0.00 -1.26 -4.71 118.16 115.82 1hdx n LYS 99 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 1hdx n LYS 99 Cb 0.00 -0.47 0.06 0.00 -0.00 0.00 0.00 35.03 34.63 1hdx n LYS 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hdx h ARG 101 N -0.59 -0.09 -0.14 0.00 2.43 -1.98 0.18 114.38 114.18 1hdx h ARG 101 Ca -0.45 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.78 1hdx h ARG 101 Cb 1.31 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1hdx h ARG 101 CO 0.61 -0.06 -0.27 0.28 -1.51 0.00 0.00 179.97 179.02 1hdx h VAL 102 N -0.10 0.36 -0.11 0.20 2.07 -1.92 -1.52 116.25 115.23 1hdx h VAL 102 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1hdx h VAL 102 Cb 0.42 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1hdx h VAL 102 CO -0.77 0.00 0.08 0.00 0.02 0.00 0.00 177.57 176.90 1hdx h LYS 104 N 0.12 0.00 -6.26 0.00 1.79 0.10 -3.44 116.57 108.87 1hdx h LYS 104 Ca 0.04 -0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.95 1hdx h LYS 104 Cb 0.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1hdx h LYS 104 CO -0.01 0.98 0.75 1.21 -1.08 0.00 0.00 179.45 181.30 1hdx s ASN 105 N -6.72 7.03 0.35 0.86 3.84 -0.65 -4.91 114.94 114.74 1hdx s ASN 105 Ca 0.01 1.77 0.25 0.00 0.21 0.00 0.00 52.86 55.09 1hdx s ASN 105 Cb 0.10 -2.55 1.26 0.00 -0.55 0.00 0.00 41.25 39.51 1hdx s ASN 105 CO 0.82 -0.63 1.75 -0.65 -2.79 0.00 0.00 177.10 175.60 1hdx h PRO 106 N 7.63 0.00 0.00 0.43 0.11 -1.85 -3.16 132.00 135.16 1hdx h PRO 106 Ca -0.32 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.57 1hdx h PRO 106 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1hdx h PRO 106 CO 0.90 0.00 -1.42 0.39 -0.21 0.00 0.00 178.00 177.67 1hdx n GLU 107 N -2.36 0.54 -2.24 1.05 -0.58 -1.26 -5.00 120.64 110.80 1hdx n GLU 107 Ca -0.01 0.44 -0.39 0.00 -0.42 0.00 0.00 57.16 56.78 1hdx n GLU 107 Cb 0.09 -1.63 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 1hdx n GLU 107 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1hdx s SER 108 N -6.69 6.64 0.00 1.62 1.04 -1.19 -5.00 113.70 110.12 1hdx s SER 108 Ca -0.29 2.47 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1hdx s SER 108 Cb 0.07 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1hdx s SER 108 CO 0.47 -0.60 0.00 -0.46 0.98 0.00 0.00 173.24 173.63 1hdx n ASN 109 N 0.40 1.61 -4.53 7.02 6.94 -1.26 -4.57 115.26 120.87 1hdx n ASN 109 Ca 0.02 -0.26 -0.28 0.00 -0.02 0.00 0.00 54.58 54.05 1hdx n ASN 109 Cb 0.45 0.84 -0.07 0.00 -2.36 0.00 0.00 39.78 38.64 1hdx n ASN 109 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hdx n TYR 110 N -1.00 2.56 -1.74 -2.53 9.36 -1.26 -4.89 117.16 117.66 1hdx n TYR 110 Ca 0.00 -1.39 -0.39 0.00 3.32 0.00 0.00 57.90 59.44 1hdx n TYR 110 Cb 0.00 -2.57 0.03 0.00 -0.63 0.00 0.00 39.34 36.17 1hdx n TYR 110 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1hdx h LEU 112 N 1.75 0.00 -0.03 0.00 3.38 -1.91 -2.83 115.31 115.67 1hdx h LEU 112 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1hdx h LEU 112 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1hdx h LEU 112 CO 0.58 0.01 -0.02 0.29 0.09 0.00 0.00 178.44 179.40 1hdx n LYS 113 N -3.32 0.43 -0.68 1.13 4.76 -1.26 -4.94 118.16 114.29 1hdx n LYS 113 Ca -0.02 -0.03 -0.31 0.00 -2.87 0.00 0.00 58.31 55.07 1hdx n LYS 113 Cb 0.12 -1.50 0.17 0.00 -1.84 0.00 0.00 35.03 31.98 1hdx n LYS 113 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1hdx n ASN 114 N -1.26 -1.03 -0.36 4.39 0.23 -1.07 -4.91 115.26 111.25 1hdx n ASN 114 Ca 0.14 0.25 0.03 0.00 -0.53 0.00 0.00 54.58 54.47 1hdx n ASN 114 Cb 0.25 -1.31 0.09 0.00 -2.08 0.00 0.00 39.78 36.73 1hdx n ASN 114 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1hdx n ASP 115 N -3.19 2.48 -0.05 0.53 2.03 -1.26 -4.60 116.55 112.48 1hdx n ASP 115 Ca 0.08 -1.96 -0.14 0.00 0.52 0.00 0.00 54.79 53.29 1hdx n ASP 115 Cb 0.54 -0.13 -0.07 0.00 -0.72 0.00 0.00 41.12 40.74 1hdx n ASP 115 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1hdx h LEU 116 N 1.18 0.53 0.00 -2.67 3.38 -1.93 -3.20 115.31 112.60 1hdx h LEU 116 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1hdx h LEU 116 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1hdx h LEU 116 CO 0.00 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1hdx n GLY 117 N 0.39 -2.64 3.16 0.83 0.00 -1.26 -4.41 105.19 101.27 1hdx n GLY 117 Ca -0.06 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1hdx n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hdx s ASN 118 N -2.42 4.80 -0.13 1.61 3.84 -1.26 -5.08 114.94 116.29 1hdx s ASN 118 Ca 0.00 -1.25 -0.29 0.00 0.21 0.00 0.00 52.86 51.53 1hdx s ASN 118 Cb 0.00 -1.69 -0.02 0.00 -0.55 0.00 0.00 41.25 38.99 1hdx s ASN 118 CO 0.00 -0.24 1.32 -2.84 -2.79 0.00 0.00 177.10 172.55 1hdx s PRO 119 N 1.24 4.24 -0.09 0.43 0.02 -1.21 -4.85 135.00 134.78 1hdx s PRO 119 Ca -0.05 1.75 0.18 0.00 0.02 0.00 0.00 61.00 62.89 1hdx s PRO 119 Cb -0.20 -3.77 -0.24 0.00 0.02 0.00 0.00 34.50 30.32 1hdx s PRO 119 CO -0.02 -0.70 0.40 0.54 -0.33 0.00 0.00 177.00 176.89 1hdx n ARG 120 N 6.51 0.66 -1.32 5.54 1.74 -1.26 -4.58 116.66 123.95 1hdx n ARG 120 Ca 0.14 0.06 -0.04 0.00 -0.77 0.00 0.00 57.85 57.24 1hdx n ARG 120 Cb 0.45 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 1hdx n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hdx n GLY 121 N 1.56 0.59 0.52 -0.13 0.00 -1.26 -4.81 105.19 101.66 1hdx n GLY 121 Ca -0.21 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 1hdx n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hdx n THR 122 N -3.12 0.00 -2.85 2.61 -2.24 -1.26 -0.59 114.28 106.84 1hdx n THR 122 Ca -0.04 -0.35 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 1hdx n THR 122 Cb 0.22 0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1hdx n THR 122 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1hdx s LEU 123 N 0.00 3.23 0.64 3.22 1.43 -0.59 -4.50 118.68 122.10 1hdx s LEU 123 Ca 0.01 -0.49 0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1hdx s LEU 123 Cb 0.00 -2.16 1.70 0.00 0.03 0.00 0.00 46.19 45.76 1hdx s LEU 123 CO 0.01 -1.31 2.01 1.56 0.23 0.00 0.00 176.35 178.84 1hdx h GLN 124 N 0.08 0.00 -0.32 1.70 4.20 -1.90 0.99 115.11 119.86 1hdx h GLN 124 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1hdx h GLN 124 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1hdx h GLN 124 CO 0.44 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.20 1hdx n ASP 125 N -3.27 1.90 0.00 1.46 5.68 -1.26 -4.91 116.55 116.15 1hdx n ASP 125 Ca 0.01 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1hdx n ASP 125 Cb 0.39 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1hdx n ASP 125 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hdx n GLY 126 N 1.09 0.86 3.63 6.12 0.00 0.34 -5.07 105.19 112.16 1hdx n GLY 126 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1hdx n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hdx s THR 127 N -2.33 3.15 0.41 2.61 -4.23 -1.26 -4.77 115.64 109.23 1hdx s THR 127 Ca 0.00 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1hdx s THR 127 Cb 0.00 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 1hdx s THR 127 CO 0.00 -0.33 0.63 -0.13 -0.54 0.00 0.00 174.62 174.24 1hdx s ARG 128 N -3.67 3.29 0.00 3.99 3.00 -1.26 -1.54 118.95 122.76 1hdx s ARG 128 Ca 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 55.73 55.70 1hdx s ARG 128 Cb -0.05 -2.59 0.00 0.00 0.00 0.00 0.00 34.95 32.32 1hdx s ARG 128 CO 0.19 -0.08 0.83 0.54 0.00 0.00 0.00 175.30 176.78 1hdx n ARG 129 N -1.97 1.99 -4.16 3.54 5.12 -1.26 -5.00 116.66 114.92 1hdx n ARG 129 Ca -0.01 -1.17 -0.18 0.00 -1.93 0.00 0.00 57.85 54.56 1hdx n ARG 129 Cb 0.57 -0.86 -0.12 0.00 -1.16 0.00 0.00 32.46 30.89 1hdx n ARG 129 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1hdx s PHE 130 N -0.68 1.17 0.03 -1.55 0.08 -1.26 -1.55 117.98 114.22 1hdx s PHE 130 Ca 0.00 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 1hdx s PHE 130 Cb 0.00 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 1hdx s PHE 130 CO 0.00 0.05 0.01 0.95 -0.10 0.00 0.00 175.22 176.12 1hdx s THR 131 N -1.32 0.13 -0.27 0.64 -4.23 -0.62 -2.41 115.64 107.56 1hdx s THR 131 Ca -0.02 -1.07 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 1hdx s THR 131 Cb -0.10 -0.59 0.08 0.00 1.34 0.00 0.00 72.50 73.23 1hdx s THR 131 CO 0.02 -0.59 0.65 0.00 -0.54 0.00 0.00 174.62 174.16 1hdx n ARG 133 N 4.45 -3.85 -0.86 0.00 1.74 -1.26 -0.82 116.66 116.05 1hdx n ARG 133 Ca -0.19 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1hdx n ARG 133 Cb 0.57 -4.97 0.00 0.00 -1.02 0.00 0.00 32.46 27.04 1hdx n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hdx n GLY 134 N -1.70 0.48 3.40 -0.13 0.00 -1.26 -4.98 105.19 101.00 1hdx n GLY 134 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1hdx n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdx s LYS 135 N -0.57 2.22 0.32 1.61 1.02 -0.00 -5.12 119.74 119.22 1hdx s LYS 135 Ca 0.00 -0.87 -0.23 0.00 0.02 0.00 0.00 55.97 54.89 1hdx s LYS 135 Cb 0.00 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 35.03 1hdx s LYS 135 CO 0.00 0.58 0.89 -1.25 -0.92 0.00 0.00 175.35 174.64 1hdx s PRO 136 N -0.87 4.41 0.06 -1.68 0.04 -1.26 -0.83 135.00 134.86 1hdx s PRO 136 Ca 0.12 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.38 1hdx s PRO 136 Cb -0.10 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1hdx s PRO 136 CO 0.01 0.23 -0.14 0.42 0.04 0.00 0.00 177.00 177.56 1hdx s ILE 137 N -1.73 3.08 0.34 0.56 -1.09 -1.01 -4.80 121.20 116.54 1hdx s ILE 137 Ca 0.51 -1.17 -0.08 0.00 -2.23 0.00 0.00 60.65 57.68 1hdx s ILE 137 Cb -0.16 -2.35 -0.06 0.00 -1.58 0.00 0.00 42.46 38.31 1hdx s ILE 137 CO 0.21 0.27 0.66 -1.00 -1.23 0.00 0.00 174.94 173.84 1hdx s HIS 138 N -1.03 3.46 0.47 3.97 3.76 -0.10 -4.41 115.29 121.42 1hdx s HIS 138 Ca 0.17 0.87 -0.08 0.00 -0.15 0.00 0.00 55.06 55.87 1hdx s HIS 138 Cb -0.11 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.24 1hdx s HIS 138 CO 0.08 0.06 0.82 -1.01 -0.85 0.00 0.00 174.74 173.84 1hdx s HIS 139 N -2.18 3.54 -0.18 1.40 3.76 0.24 -1.67 115.29 120.20 1hdx s HIS 139 Ca 0.48 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1hdx s HIS 139 Cb -0.11 -2.42 0.04 0.00 1.11 0.00 0.00 32.58 31.20 1hdx s HIS 139 CO 0.29 -0.27 -0.11 0.12 -0.85 0.00 0.00 174.74 173.92 1hdx s PHE 140 N -2.66 2.22 -1.38 1.40 5.36 -1.24 -4.32 117.98 117.36 1hdx s PHE 140 Ca 0.50 -1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 55.06 1hdx s PHE 140 Cb -0.10 -1.57 0.01 0.00 -0.34 0.00 0.00 43.02 41.02 1hdx s PHE 140 CO 0.41 -0.70 0.16 1.28 -1.46 0.00 0.00 175.22 174.91 1hdx n LEU 141 N 4.74 -1.68 0.00 6.12 4.77 -1.26 -1.13 117.00 128.56 1hdx n LEU 141 Ca -0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1hdx n LEU 141 Cb 0.48 -2.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 1hdx n LEU 141 CO 0.20 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1hdx n GLY 142 N -1.03 0.19 0.20 -0.72 0.00 -1.26 -4.76 105.19 97.82 1hdx n GLY 142 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1hdx n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hdx n THR 143 N -2.23 0.58 -3.75 2.61 -2.24 -0.28 -4.71 114.28 104.25 1hdx n THR 143 Ca 0.00 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1hdx n THR 143 Cb 0.26 -1.05 0.01 0.00 -2.10 0.00 0.00 70.33 67.45 1hdx n THR 143 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hdx n SER 144 N -2.96 -3.64 -0.36 3.42 7.64 -0.99 -4.78 113.62 111.95 1hdx n SER 144 Ca -0.18 -0.91 0.12 0.00 1.01 0.00 0.00 58.87 58.91 1hdx n SER 144 Cb 0.68 -1.28 0.54 0.00 -1.01 0.00 0.00 64.21 63.14 1hdx n SER 144 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1hdx n THR 145 N -3.08 0.07 -1.57 0.44 -2.24 -0.91 -4.37 114.28 102.61 1hdx n THR 145 Ca -0.19 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 1hdx n THR 145 Cb 0.52 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1hdx n THR 145 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1hdx n PHE 146 N -0.10 1.98 -3.67 4.78 3.72 -0.52 -4.80 117.46 118.84 1hdx n PHE 146 Ca 0.18 -2.52 -0.14 0.00 -0.05 0.00 0.00 57.45 54.92 1hdx n PHE 146 Cb 0.26 -1.88 -0.07 0.00 -0.94 0.00 0.00 39.48 36.86 1hdx n PHE 146 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1hdx s SER 147 N 1.06 -0.30 0.42 4.37 0.15 -1.26 -1.69 113.70 116.43 1hdx s SER 147 Ca 0.61 0.12 0.20 0.00 0.70 0.00 0.00 55.95 57.58 1hdx s SER 147 Cb 0.24 0.40 0.90 0.00 -1.71 0.00 0.00 66.02 65.86 1hdx s SER 147 CO -0.10 -0.59 1.84 1.56 1.20 0.00 0.00 173.24 177.15 1hdx h GLN 148 N 3.27 0.00 -4.06 5.44 4.20 -1.78 -3.42 115.11 118.76 1hdx h GLN 148 Ca -0.30 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.22 1hdx h GLN 148 Cb 1.19 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.75 1hdx h GLN 148 CO 0.42 0.30 -0.71 0.71 -0.67 0.00 0.00 178.83 178.88 1hdx s TYR 149 N -3.87 0.31 0.16 2.96 2.02 -1.26 -0.97 117.35 116.71 1hdx s TYR 149 Ca -0.01 -0.51 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 1hdx s TYR 149 Cb 0.12 -0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.47 1hdx s TYR 149 CO 0.66 -0.17 0.36 -0.08 -1.57 0.00 0.00 175.55 174.76 1hdx s THR 150 N -1.39 0.06 -0.09 -0.71 -1.32 -0.58 -4.98 115.64 106.64 1hdx s THR 150 Ca -0.14 -1.09 0.04 0.00 -1.21 0.00 0.00 61.69 59.29 1hdx s THR 150 Cb -0.10 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 1hdx s THR 150 CO -0.01 -0.28 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.22 1hdx s VAL 151 N -3.91 1.84 0.23 5.08 1.01 -1.26 -0.77 120.40 122.61 1hdx s VAL 151 Ca 0.12 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1hdx s VAL 151 Cb 0.02 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1hdx s VAL 151 CO -0.03 0.51 -0.09 0.68 0.00 0.00 0.00 175.10 176.17 1hdx s VAL 152 N 0.34 1.54 0.37 2.92 -7.23 0.27 -4.89 120.40 113.72 1hdx s VAL 152 Ca -0.16 -2.14 -0.21 0.00 -1.81 0.00 0.00 61.98 57.67 1hdx s VAL 152 Cb -0.17 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 1hdx s VAL 152 CO 0.07 -0.47 0.88 -1.81 -0.31 0.00 0.00 175.10 173.47 1hdx s ASP 153 N -3.35 7.00 0.23 4.85 1.01 -1.26 -0.90 116.67 124.26 1hdx s ASP 153 Ca 0.25 1.61 -0.06 0.00 0.71 0.00 0.00 52.55 55.06 1hdx s ASP 153 Cb 0.02 -2.50 0.31 0.00 1.01 0.00 0.00 42.92 41.76 1hdx s ASP 153 CO 0.08 -0.23 1.84 -0.08 0.21 0.00 0.00 175.17 177.00 1hdx h GLU 154 N 2.39 0.89 0.00 8.23 4.81 -1.12 -1.99 114.58 127.79 1hdx h GLU 154 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1hdx h GLU 154 Cb 1.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1hdx h GLU 154 CO 0.63 0.59 0.00 0.27 -0.73 0.00 0.00 179.01 179.77 1hdx n ASN 155 N -4.65 0.00 -0.80 1.04 0.23 -1.26 -2.17 115.26 107.64 1hdx n ASN 155 Ca 0.12 -0.87 0.05 0.00 -0.53 0.00 0.00 54.58 53.35 1hdx n ASN 155 Cb 0.18 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.99 1hdx n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hdx n ALA 156 N -0.54 2.87 -2.89 -2.53 0.00 -0.75 -1.10 120.51 115.57 1hdx n ALA 156 Ca 0.01 -2.65 -0.16 0.00 0.00 0.00 0.00 53.44 50.63 1hdx n ALA 156 Cb 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 1hdx n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hdx s VAL 157 N -1.80 0.39 -0.03 0.00 1.01 -0.92 -1.04 120.40 118.01 1hdx s VAL 157 Ca 0.32 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1hdx s VAL 157 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 1hdx s VAL 157 CO -0.08 0.12 -0.23 0.00 0.00 0.00 0.00 175.10 174.91 1hdx s ALA 158 N 0.03 1.96 -0.44 5.51 0.00 -0.71 -4.92 121.76 123.18 1hdx s ALA 158 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1hdx s ALA 158 Cb -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.57 1hdx s ALA 158 CO -0.00 0.45 0.71 0.21 0.00 0.00 0.00 175.76 177.12 1hdx s LYS 159 N -0.41 3.33 0.00 0.00 2.20 -1.26 -2.22 119.74 121.38 1hdx s LYS 159 Ca 0.05 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1hdx s LYS 159 Cb -0.10 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 1hdx s LYS 159 CO 0.00 -1.06 0.00 0.44 -0.36 0.00 0.00 175.35 174.37 1hdx n ILE 160 N 5.98 0.00 -2.86 5.43 -5.35 -1.07 -4.79 119.36 116.70 1hdx n ILE 160 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.08 1hdx n ILE 160 Cb 0.48 -1.40 -0.06 0.00 -1.74 0.00 0.00 39.64 36.92 1hdx n ILE 160 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1hdx s ASP 161 N -1.00 7.52 0.34 7.28 2.15 -1.26 -4.78 116.67 126.93 1hdx s ASP 161 Ca 0.00 1.80 0.09 0.00 0.43 0.00 0.00 52.55 54.87 1hdx s ASP 161 Cb 0.00 -2.56 0.81 0.00 -0.30 0.00 0.00 42.92 40.87 1hdx s ASP 161 CO 0.00 0.17 1.84 0.00 -0.17 0.00 0.00 175.17 177.02 1hdx h ALA 162 N 4.31 1.82 -0.35 3.66 0.00 -1.97 -1.67 119.26 125.05 1hdx h ALA 162 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hdx h ALA 162 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1hdx h ALA 162 CO 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1hdx n ALA 163 N -2.41 2.81 -2.25 0.00 0.00 -1.26 -4.95 120.51 112.45 1hdx n ALA 163 Ca 0.19 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1hdx n ALA 163 Cb 0.51 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1hdx n ALA 163 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hdx s SER 164 N -0.72 6.86 -0.84 0.00 0.01 -0.63 -4.92 113.70 113.46 1hdx s SER 164 Ca 0.27 2.01 -0.26 0.00 1.31 0.00 0.00 55.95 59.28 1hdx s SER 164 Cb 0.17 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 1hdx s SER 164 CO 0.13 -0.76 2.29 -2.16 0.41 0.00 0.00 173.24 173.15 1hdx s PRO 165 N 2.97 1.79 0.00 12.44 0.04 -1.26 -4.79 135.00 146.19 1hdx s PRO 165 Ca 0.63 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1hdx s PRO 165 Cb -0.29 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1hdx s PRO 165 CO 0.24 -4.28 0.61 1.28 0.04 0.00 0.00 177.00 174.89 1hdx n LEU 166 N 17.68 0.00 0.00 -3.56 4.77 -1.26 -0.51 117.00 134.12 1hdx n LEU 166 Ca 0.45 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 1hdx n LEU 166 Cb 0.44 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1hdx n LEU 166 CO 0.56 -0.14 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.68 1hdx n GLU 167 N -1.11 0.18 0.00 3.23 4.71 -1.26 -3.82 120.64 122.57 1hdx n GLU 167 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1hdx n GLU 167 Cb 0.01 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1hdx n GLU 167 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1hdx n LYS 168 N -1.72 0.00 0.03 3.49 5.02 0.33 -4.65 118.16 120.66 1hdx n LYS 168 Ca 0.02 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.47 1hdx n LYS 168 Cb 0.39 -0.35 0.29 0.00 -0.02 0.00 0.00 35.03 35.35 1hdx n LYS 168 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hdx h VAL 169 N 0.00 0.02 -0.02 -0.18 2.07 -1.59 -1.67 116.25 114.88 1hdx h VAL 169 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1hdx h VAL 169 Cb 0.00 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1hdx h VAL 169 CO 0.00 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.62 1hdx h LEU 171 N 0.00 0.19 -1.86 0.00 3.38 -1.64 -1.66 115.31 113.72 1hdx h LEU 171 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1hdx h LEU 171 Cb 0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1hdx h LEU 171 CO -0.00 0.25 -0.12 0.40 0.09 0.00 0.00 178.44 179.06 1hdx h ILE 172 N 0.21 0.92 0.00 1.22 2.04 -1.40 -2.40 117.51 118.09 1hdx h ILE 172 Ca 0.05 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1hdx h ILE 172 Cb 0.18 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1hdx h ILE 172 CO 0.01 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.88 1hdx n GLY 173 N -1.07 -0.39 0.00 5.37 0.00 -0.62 -3.53 105.19 104.95 1hdx n GLY 173 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1hdx n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdx n GLY 175 N 0.00 -0.74 0.05 0.00 0.00 -1.22 -1.19 105.19 102.09 1hdx n GLY 175 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 1hdx n GLY 175 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1hdx h PHE 176 N 0.00 0.01 -0.65 1.61 3.57 -1.69 -2.53 116.94 117.25 1hdx h PHE 176 Ca 0.04 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1hdx h PHE 176 Cb 0.10 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1hdx h PHE 176 CO -0.28 0.42 0.30 0.77 -2.23 0.00 0.00 178.31 177.28 1hdx h SER 177 N -0.40 0.36 0.41 0.41 0.02 -1.19 -1.56 113.55 111.60 1hdx h SER 177 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1hdx h SER 177 Cb 0.41 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1hdx h SER 177 CO 0.00 0.21 -0.20 0.74 -1.14 0.00 0.00 176.83 176.44 1hdx h THR 178 N 0.52 0.00 -0.05 -2.27 2.02 -1.32 -1.24 112.91 110.57 1hdx h THR 178 Ca 0.32 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.51 1hdx h THR 178 Cb 0.36 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1hdx h THR 178 CO -0.28 0.00 -0.03 1.23 0.37 0.00 0.00 175.52 176.81 1hdx h GLY 179 N -0.56 0.02 0.98 2.16 0.00 -1.39 -0.84 103.07 103.44 1hdx h GLY 179 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1hdx h GLY 179 CO 0.09 -0.04 0.20 -1.82 0.00 0.00 0.00 176.54 174.98 1hdx h TYR 180 N -0.03 0.82 -0.03 5.60 3.20 -1.22 -2.78 116.97 122.53 1hdx h TYR 180 Ca 0.03 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 1hdx h TYR 180 Cb 0.08 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1hdx h TYR 180 CO -0.13 0.67 -0.32 0.78 -1.64 0.00 0.00 178.16 177.53 1hdx h GLY 181 N 0.72 0.05 0.93 1.82 0.00 -1.03 -2.01 103.07 103.55 1hdx h GLY 181 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1hdx h GLY 181 CO -0.01 0.04 0.03 1.76 0.00 0.00 0.00 176.54 178.35 1hdx h SER 182 N 0.04 0.06 0.23 0.19 0.02 -0.87 0.32 113.55 113.55 1hdx h SER 182 Ca 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1hdx h SER 182 Cb 0.58 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1hdx h SER 182 CO 0.04 0.11 -0.11 0.00 -1.14 0.00 0.00 176.83 175.74 1hdx h ALA 183 N 0.95 -0.31 0.00 3.77 0.00 -1.40 -0.33 119.26 121.95 1hdx h ALA 183 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hdx h ALA 183 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hdx h ALA 183 CO -0.00 -0.60 -0.25 0.28 0.00 0.00 0.00 179.25 178.67 1hdx n VAL 184 N -5.16 0.19 0.00 0.00 0.31 -0.79 -1.53 118.33 111.34 1hdx n VAL 184 Ca -0.09 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1hdx n VAL 184 Cb 0.19 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1hdx n VAL 184 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1hdx n ASN 185 N -1.77 3.03 -0.07 4.52 3.02 0.11 -4.48 115.26 119.62 1hdx n ASN 185 Ca 0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.55 1hdx n ASN 185 Cb 0.38 0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 1hdx n ASN 185 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1hdx n VAL 186 N -1.64 1.30 -0.04 2.41 0.31 -0.67 -4.52 118.33 115.48 1hdx n VAL 186 Ca 0.00 0.23 -0.08 0.00 -0.01 0.00 0.00 64.34 64.47 1hdx n VAL 186 Cb 0.32 -2.30 0.08 0.00 -0.91 0.00 0.00 33.84 31.03 1hdx n VAL 186 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hdx h ALA 187 N -1.09 0.81 -5.47 3.52 0.00 -1.22 -3.48 119.26 112.32 1hdx h ALA 187 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 1hdx h ALA 187 Cb 0.57 -0.12 0.16 0.00 0.00 0.00 0.00 17.79 18.40 1hdx h ALA 187 CO 0.00 0.65 -0.71 1.63 0.00 0.00 0.00 179.25 180.81 1hdx n LYS 188 N -4.05 -6.48 -1.54 0.00 5.02 -0.58 -4.88 118.16 105.66 1hdx n LYS 188 Ca -0.01 0.80 -0.56 0.00 -2.02 0.00 0.00 58.31 56.51 1hdx n LYS 188 Cb 0.51 -5.69 -0.07 0.00 -0.02 0.00 0.00 35.03 29.76 1hdx n LYS 188 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hdx n VAL 189 N -4.11 0.00 -3.60 -0.18 0.31 -1.09 -4.95 118.33 104.72 1hdx n VAL 189 Ca -0.23 -0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 1hdx n VAL 189 Cb 0.64 -0.33 -0.06 0.00 -0.91 0.00 0.00 33.84 33.19 1hdx n VAL 189 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1hdx s THR 190 N 0.26 5.13 0.09 2.52 -4.23 -1.26 -4.81 115.64 113.33 1hdx s THR 190 Ca 0.89 0.46 -0.33 0.00 -1.18 0.00 0.00 61.69 61.53 1hdx s THR 190 Cb -1.15 -3.64 -0.12 0.00 1.34 0.00 0.00 72.50 68.93 1hdx s THR 190 CO 0.54 0.35 1.75 -0.81 -0.54 0.00 0.00 174.62 175.91 1hdx n PRO 191 N 1.11 2.41 0.00 3.99 -0.04 -1.21 -1.46 135.00 139.80 1hdx n PRO 191 Ca -0.10 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1hdx n PRO 191 Cb 0.52 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1hdx n PRO 191 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hdx n GLY 192 N 3.96 3.19 3.23 0.55 0.00 0.01 -4.97 105.19 111.17 1hdx n GLY 192 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1hdx n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hdx n SER 193 N 0.00 -3.72 -3.95 1.61 3.41 -0.53 -3.34 113.62 107.09 1hdx n SER 193 Ca 0.00 -0.72 -0.28 0.00 -0.26 0.00 0.00 58.87 57.61 1hdx n SER 193 Cb 0.00 -1.01 -0.17 0.00 -0.26 0.00 0.00 64.21 62.77 1hdx n SER 193 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hdx s THR 194 N -2.15 1.25 0.17 6.66 2.01 -1.26 -0.08 115.64 122.24 1hdx s THR 194 Ca 0.64 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1hdx s THR 194 Cb -0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1hdx s THR 194 CO 0.55 0.39 -0.09 0.00 -0.69 0.00 0.00 174.62 174.78 1hdx s ALA 196 N -1.61 1.49 -0.16 0.00 0.00 -0.31 -1.38 121.76 119.79 1hdx s ALA 196 Ca 0.24 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1hdx s ALA 196 Cb -0.09 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1hdx s ALA 196 CO 0.15 0.30 -0.20 0.08 0.00 0.00 0.00 175.76 176.10 1hdx s VAL 197 N -0.12 1.98 -0.44 0.00 1.01 0.19 -2.15 120.40 120.88 1hdx s VAL 197 Ca -0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1hdx s VAL 197 Cb -0.10 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1hdx s VAL 197 CO 0.01 0.53 0.33 -0.36 0.00 0.00 0.00 175.10 175.61 1hdx s PHE 198 N 1.16 3.26 0.00 5.22 0.40 -0.75 -1.16 117.98 126.12 1hdx s PHE 198 Ca 0.01 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 1hdx s PHE 198 Cb -0.14 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.45 1hdx s PHE 198 CO -0.09 -0.75 0.00 0.41 0.70 0.00 0.00 175.22 175.49 1hdx n GLY 199 N 5.12 2.71 2.65 4.36 0.00 -0.52 -0.96 105.19 118.54 1hdx n GLY 199 Ca -0.12 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1hdx n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hdx n LEU 200 N 0.00 4.67 0.00 0.99 4.77 -1.26 -4.11 117.00 122.06 1hdx n LEU 200 Ca 0.00 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.53 1hdx n LEU 200 Cb 0.00 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1hdx n LEU 200 CO 0.00 2.05 0.00 0.61 -1.33 0.00 0.00 177.39 178.72 1hdx n GLY 201 N 0.65 2.08 0.22 -0.72 0.00 -1.26 -4.80 105.19 101.37 1hdx n GLY 201 Ca 0.31 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 1hdx n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hdx h GLY 202 N 0.00 0.84 0.53 -0.02 0.00 -1.93 -1.85 103.07 100.64 1hdx h GLY 202 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 47.33 46.12 1hdx h GLY 202 CO 0.00 1.00 -0.32 -2.08 0.00 0.00 0.00 176.54 175.14 1hdx h VAL 203 N 0.49 1.52 -0.50 4.60 2.07 -1.94 -3.22 116.25 119.27 1hdx h VAL 203 Ca -0.03 -1.96 0.10 0.00 0.82 0.00 0.00 66.70 65.63 1hdx h VAL 203 Cb 1.28 2.71 -0.10 0.00 -1.52 0.00 0.00 31.29 33.66 1hdx h VAL 203 CO 0.14 0.54 -0.15 1.23 0.02 0.00 0.00 177.57 179.35 1hdx h GLY 204 N -0.41 0.31 2.00 2.17 0.00 -1.71 0.80 103.07 106.24 1hdx h GLY 204 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1hdx h GLY 204 CO 0.06 -0.20 0.00 1.41 0.00 0.00 0.00 176.54 177.81 1hdx h LEU 205 N -0.03 0.00 0.00 3.11 3.38 -1.43 0.54 115.31 120.88 1hdx h LEU 205 Ca 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1hdx h LEU 205 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1hdx h LEU 205 CO -0.53 0.00 -0.83 0.28 0.09 0.00 0.00 178.44 177.45 1hdx h SER 206 N 0.00 0.00 -0.15 -0.43 0.02 -0.89 -2.20 113.55 109.90 1hdx h SER 206 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1hdx h SER 206 Cb 0.36 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1hdx h SER 206 CO 0.00 0.64 -0.13 0.00 -1.14 0.00 0.00 176.83 176.20 1hdx h ALA 207 N 1.36 0.22 -0.52 3.77 0.00 0.18 -1.84 119.26 122.43 1hdx h ALA 207 Ca -0.05 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.65 1hdx h ALA 207 Cb 1.53 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 1hdx h ALA 207 CO 0.08 0.09 -0.12 0.28 0.00 0.00 0.00 179.25 179.58 1hdx h VAL 208 N -0.01 0.49 -0.57 0.00 2.07 -1.30 0.11 116.25 117.03 1hdx h VAL 208 Ca 0.03 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1hdx h VAL 208 Cb 0.65 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1hdx h VAL 208 CO 0.03 0.00 0.32 0.24 0.02 0.00 0.00 177.57 178.19 1hdx h MET 209 N 0.01 0.61 -0.50 1.57 2.86 -1.33 -2.14 114.93 116.01 1hdx h MET 209 Ca 0.25 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1hdx h MET 209 Cb 0.39 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1hdx h MET 209 CO -0.53 0.40 0.11 0.78 1.06 0.00 0.00 176.91 178.73 1hdx h GLY 210 N 0.62 0.87 1.03 8.32 0.00 -0.17 0.04 103.07 113.78 1hdx h GLY 210 Ca 0.24 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1hdx h GLY 210 CO -0.14 0.52 0.62 0.00 0.00 0.00 0.00 176.54 177.54 1hdx h LYS 212 N 1.22 0.01 0.00 0.00 3.64 -1.01 -0.55 116.57 119.88 1hdx h LYS 212 Ca 0.35 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1hdx h LYS 212 Cb -0.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1hdx h LYS 212 CO -0.09 0.67 -0.52 0.00 -2.27 0.00 0.00 179.45 177.24 1hdx h ALA 213 N 1.33 1.06 0.00 5.00 0.00 0.62 -2.86 119.26 124.41 1hdx h ALA 213 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1hdx h ALA 213 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1hdx h ALA 213 CO 0.09 0.65 -0.39 0.00 0.00 0.00 0.00 179.25 179.60 1hdx h ALA 214 N 1.48 0.76 0.00 0.00 0.00 -0.62 -3.48 119.26 117.39 1hdx h ALA 214 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hdx h ALA 214 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1hdx h ALA 214 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1hdx n GLY 215 N 1.28 1.30 3.75 0.00 0.00 -0.85 -3.35 105.19 107.33 1hdx n GLY 215 Ca 0.04 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1hdx n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdx s ALA 216 N -2.00 3.74 0.11 4.61 0.00 -0.27 -0.81 121.76 127.14 1hdx s ALA 216 Ca 0.00 1.54 0.11 0.00 0.00 0.00 0.00 51.96 53.61 1hdx s ALA 216 Cb 0.00 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.61 1hdx s ALA 216 CO 0.00 -0.95 1.47 0.00 0.00 0.00 0.00 175.76 176.28 1hdx h ALA 217 N 4.94 0.67 -3.41 0.00 0.00 -0.49 -3.45 119.26 117.53 1hdx h ALA 217 Ca -0.47 -0.64 -0.44 0.00 0.00 0.00 0.00 54.91 53.36 1hdx h ALA 217 Cb 1.22 -0.11 -0.34 0.00 0.00 0.00 0.00 17.79 18.55 1hdx h ALA 217 CO 0.80 0.88 -0.78 1.03 0.00 0.00 0.00 179.25 181.17 1hdx s ARG 218 N -3.13 1.06 -0.24 0.00 0.52 -1.14 -4.97 118.95 111.05 1hdx s ARG 218 Ca 0.01 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1hdx s ARG 218 Cb 0.10 -1.04 0.06 0.00 0.52 0.00 0.00 34.95 34.59 1hdx s ARG 218 CO 0.77 -0.09 -0.07 0.42 0.02 0.00 0.00 175.30 176.35 1hdx s ILE 219 N 1.02 1.71 -0.25 1.52 1.01 -1.26 -1.11 121.20 123.84 1hdx s ILE 219 Ca -0.09 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 1hdx s ILE 219 Cb -0.14 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1hdx s ILE 219 CO -0.00 -0.08 0.17 -0.63 0.00 0.00 0.00 174.94 174.40 1hdx s ILE 220 N 1.31 5.35 -0.18 2.92 1.01 -0.48 -0.70 121.20 130.43 1hdx s ILE 220 Ca -0.07 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 1hdx s ILE 220 Cb -0.19 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1hdx s ILE 220 CO -0.06 0.32 0.15 0.00 0.00 0.00 0.00 174.94 175.35 1hdx s ALA 221 N 1.20 3.72 -0.11 9.38 0.00 -0.21 -0.64 121.76 135.10 1hdx s ALA 221 Ca 0.08 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1hdx s ALA 221 Cb -0.14 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.83 1hdx s ALA 221 CO 0.06 0.24 -0.22 0.08 0.00 0.00 0.00 175.76 175.92 1hdx s VAL 222 N 0.10 1.98 -0.23 0.00 1.01 -0.31 0.08 120.40 123.04 1hdx s VAL 222 Ca 0.10 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1hdx s VAL 222 Cb -0.11 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.62 1hdx s VAL 222 CO -0.00 0.54 0.80 -0.62 0.00 0.00 0.00 175.10 175.81 1hdx s ASP 223 N 0.59 -0.65 0.00 3.32 -1.08 -0.88 -1.44 116.67 116.53 1hdx s ASP 223 Ca -0.13 1.13 0.31 0.00 -0.52 0.00 0.00 52.55 53.34 1hdx s ASP 223 Cb -0.17 1.11 1.59 0.00 -1.46 0.00 0.00 42.92 44.00 1hdx s ASP 223 CO 0.04 -0.29 2.08 2.30 0.52 0.00 0.00 175.17 179.82 1hdx n ILE 224 N 2.16 0.00 -3.67 4.11 -5.35 -1.26 -4.26 119.36 111.10 1hdx n ILE 224 Ca -0.14 -0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 61.94 1hdx n ILE 224 Cb 0.56 -0.47 -0.11 0.00 -1.74 0.00 0.00 39.64 37.88 1hdx n ILE 224 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1hdx s ASN 225 N -2.43 5.48 0.62 7.28 2.47 -1.26 -4.96 114.94 122.14 1hdx s ASN 225 Ca 0.33 -1.61 0.37 0.00 0.42 0.00 0.00 52.86 52.38 1hdx s ASN 225 Cb 0.21 -1.93 2.03 0.00 -1.45 0.00 0.00 41.25 40.11 1hdx s ASN 225 CO 0.44 -0.52 2.26 0.11 -3.72 0.00 0.00 177.10 175.67 1hdx h LYS 226 N 8.29 0.00 0.00 0.43 1.57 -1.99 -2.88 116.57 121.99 1hdx h LYS 226 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1hdx h LYS 226 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1hdx h LYS 226 CO 0.73 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 179.38 1hdx n ASP 227 N -3.34 0.00 0.08 0.86 8.00 -1.26 -2.56 116.55 118.32 1hdx n ASP 227 Ca -0.02 0.39 0.02 0.00 0.71 0.00 0.00 54.79 55.88 1hdx n ASP 227 Cb 0.13 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 1hdx n ASP 227 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1hdx h LYS 228 N 0.00 0.00 -0.79 -1.24 1.79 -1.87 -3.40 116.57 111.07 1hdx h LYS 228 Ca 0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 1hdx h LYS 228 Cb 0.26 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.81 1hdx h LYS 228 CO 0.00 0.33 0.33 0.74 -1.08 0.00 0.00 179.45 179.77 1hdx h PHE 229 N 0.00 0.57 -0.91 -1.35 0.04 -1.68 -1.74 116.94 111.87 1hdx h PHE 229 Ca -0.09 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.79 1hdx h PHE 229 Cb 1.46 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 39.42 1hdx h PHE 229 CO 0.00 0.07 0.59 0.00 -0.60 0.00 0.00 178.31 178.37 1hdx h ALA 230 N 1.57 1.54 -0.07 2.45 0.00 -1.79 0.75 119.26 123.71 1hdx h ALA 230 Ca 0.44 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 1hdx h ALA 230 Cb 0.69 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hdx h ALA 230 CO -0.42 0.31 -0.58 0.87 0.00 0.00 0.00 179.25 179.43 1hdx h LYS 231 N 0.99 0.53 -0.44 0.00 1.79 -1.61 -1.53 116.57 116.30 1hdx h LYS 231 Ca 0.40 -0.47 0.09 0.00 -2.18 0.00 0.00 60.65 58.49 1hdx h LYS 231 Cb 0.26 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 30.94 1hdx h LYS 231 CO -0.16 1.10 -0.05 0.00 -1.08 0.00 0.00 179.45 179.26 1hdx h ALA 232 N 0.44 0.35 0.36 3.86 0.00 -0.79 0.23 119.26 123.71 1hdx h ALA 232 Ca -0.05 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hdx h ALA 232 Cb 1.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1hdx h ALA 232 CO 0.12 -0.42 -0.31 0.87 0.00 0.00 0.00 179.25 179.51 1hdx h LYS 233 N 0.05 -0.66 -0.76 0.00 1.57 -0.91 0.04 116.57 115.90 1hdx h LYS 233 Ca 0.22 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.21 1hdx h LYS 233 Cb 0.32 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 32.67 1hdx h LYS 233 CO -0.41 -0.44 0.21 1.49 -0.57 0.00 0.00 179.45 179.73 1hdx h GLU 234 N -0.68 0.28 0.00 3.15 4.81 -0.15 -0.46 114.58 121.53 1hdx h GLU 234 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1hdx h GLU 234 Cb 0.60 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1hdx h GLU 234 CO -0.03 0.19 -0.03 1.28 -0.73 0.00 0.00 179.01 179.69 1hdx n LEU 235 N -5.14 0.62 0.00 1.64 4.77 0.70 -4.93 117.00 114.66 1hdx n LEU 235 Ca 0.15 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1hdx n LEU 235 Cb 0.49 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1hdx n LEU 235 CO 0.13 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1hdx n GLY 236 N 1.36 1.23 3.63 -0.72 0.00 -0.17 -4.35 105.19 106.17 1hdx n GLY 236 Ca 0.06 -0.03 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 1hdx n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdx n ALA 237 N 0.00 1.02 0.31 4.61 0.00 -0.23 -4.74 120.51 121.48 1hdx n ALA 237 Ca 0.00 0.16 0.16 0.00 0.00 0.00 0.00 53.44 53.76 1hdx n ALA 237 Cb 0.00 -2.56 0.71 0.00 0.00 0.00 0.00 19.45 17.60 1hdx n ALA 237 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1hdx h THR 238 N 5.97 0.00 -1.59 0.00 1.35 -1.25 -3.37 112.91 114.02 1hdx h THR 238 Ca -0.44 -0.33 0.07 0.00 -0.55 0.00 0.00 66.41 65.16 1hdx h THR 238 Cb 1.28 1.23 -0.23 0.00 -1.73 0.00 0.00 68.15 68.69 1hdx h THR 238 CO 0.96 0.00 0.52 -1.83 -0.25 0.00 0.00 175.52 174.92 1hdx s GLU 239 N -3.64 0.61 -0.04 4.72 -1.05 -1.13 -4.96 118.70 113.21 1hdx s GLU 239 Ca 0.01 0.20 0.07 0.00 -0.15 0.00 0.00 54.97 55.10 1hdx s GLU 239 Cb 0.09 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1hdx s GLU 239 CO 0.46 -0.18 -0.24 0.00 0.95 0.00 0.00 175.26 176.25 1hdx s ILE 241 N -0.34 1.46 -0.20 0.00 -1.09 0.11 -4.94 121.20 116.21 1hdx s ILE 241 Ca 0.02 -1.27 -0.00 0.00 -2.23 0.00 0.00 60.65 57.17 1hdx s ILE 241 Cb -0.12 -1.32 0.05 0.00 -1.58 0.00 0.00 42.46 39.50 1hdx s ILE 241 CO 0.01 0.01 -0.04 0.21 -1.23 0.00 0.00 174.94 173.91 1hdx s ASN 242 N -1.47 3.33 0.00 3.58 3.84 -1.26 -2.08 114.94 120.88 1hdx s ASN 242 Ca 0.04 -0.93 0.00 0.00 0.21 0.00 0.00 52.86 52.18 1hdx s ASN 242 Cb -0.09 -1.00 0.00 0.00 -0.55 0.00 0.00 41.25 39.61 1hdx s ASN 242 CO 0.02 -0.23 0.65 -2.65 -2.79 0.00 0.00 177.10 172.11 1hdx n PRO 243 N 4.80 0.00 0.00 0.43 -0.02 -1.26 -1.73 135.00 137.22 1hdx n PRO 243 Ca -0.12 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1hdx n PRO 243 Cb 0.46 -1.59 0.03 0.00 -0.02 0.00 0.00 33.50 32.38 1hdx n PRO 243 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1hdx n GLN 244 N -1.15 0.04 0.07 -0.52 6.02 -1.26 -3.69 117.38 116.89 1hdx n GLN 244 Ca 0.00 -0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.10 1hdx n GLN 244 Cb 0.09 -1.51 0.46 0.00 1.02 0.00 0.00 30.24 30.29 1hdx n GLN 244 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1hdx n ASP 245 N -1.56 0.42 -4.82 1.08 8.00 -0.71 -4.85 116.55 114.11 1hdx n ASP 245 Ca 0.04 0.57 -0.28 0.00 0.71 0.00 0.00 54.79 55.83 1hdx n ASP 245 Cb 0.35 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 1hdx n ASP 245 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1hdx s TYR 246 N -3.12 3.26 -1.45 1.24 2.02 -1.24 -4.99 117.35 113.07 1hdx s TYR 246 Ca 0.09 0.07 0.12 0.00 -0.37 0.00 0.00 57.07 56.98 1hdx s TYR 246 Cb 0.12 -1.61 0.15 0.00 -0.40 0.00 0.00 41.96 40.23 1hdx s TYR 246 CO 0.45 0.53 0.98 1.17 -1.57 0.00 0.00 175.55 177.11 1hdx n LYS 247 N 0.02 1.21 -4.33 -0.62 4.81 -1.26 -4.97 118.16 113.01 1hdx n LYS 247 Ca -0.08 -1.44 -0.25 0.00 -0.87 0.00 0.00 58.31 55.67 1hdx n LYS 247 Cb 0.53 -1.25 -0.12 0.00 0.02 0.00 0.00 35.03 34.20 1hdx n LYS 247 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1hdx s LYS 248 N -1.03 1.26 0.34 1.64 2.20 -1.26 -5.11 119.74 117.77 1hdx s LYS 248 Ca 0.17 -1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.21 1hdx s LYS 248 Cb 0.11 -1.56 -0.12 0.00 -1.51 0.00 0.00 37.83 34.75 1hdx s LYS 248 CO 0.16 0.36 1.43 -2.30 -0.36 0.00 0.00 175.35 174.64 1hdx n PRO 249 N 0.85 2.45 -0.28 4.03 -0.02 -1.26 -4.81 135.00 135.96 1hdx n PRO 249 Ca -0.18 0.86 0.01 0.00 -2.02 0.00 0.00 63.50 62.18 1hdx n PRO 249 Cb 0.54 -2.55 0.14 0.00 -0.02 0.00 0.00 33.50 31.62 1hdx n PRO 249 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1hdx h ILE 250 N 2.89 0.95 -0.49 4.25 6.09 -1.98 -0.94 117.51 128.28 1hdx h ILE 250 Ca -0.48 -0.27 -0.05 0.00 -1.37 0.00 0.00 64.86 62.69 1hdx h ILE 250 Cb 1.26 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 1hdx h ILE 250 CO 0.67 0.14 0.11 0.06 -3.07 0.00 0.00 178.15 176.07 1hdx h GLN 251 N 0.79 0.74 0.07 2.19 -0.00 -1.92 -0.87 115.11 116.11 1hdx h GLN 251 Ca 0.37 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1hdx h GLN 251 Cb 0.28 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1hdx h GLN 251 CO -0.22 0.67 -0.03 0.93 -0.00 0.00 0.00 178.83 180.18 1hdx h GLU 252 N 0.71 -0.09 -0.70 0.06 5.08 -1.59 -0.82 114.58 117.23 1hdx h GLU 252 Ca 0.16 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 1hdx h GLU 252 Cb 0.27 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.43 1hdx h GLU 252 CO -0.00 0.04 0.11 0.28 -1.00 0.00 0.00 179.01 178.44 1hdx h VAL 253 N -0.21 0.50 -0.44 3.13 2.07 -0.94 -1.16 116.25 119.20 1hdx h VAL 253 Ca -0.01 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1hdx h VAL 253 Cb 0.18 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1hdx h VAL 253 CO 0.02 0.04 -0.02 -0.07 0.02 0.00 0.00 177.57 177.56 1hdx h LEU 254 N 0.21 0.78 -0.33 2.57 3.38 -0.82 -1.98 115.31 119.12 1hdx h LEU 254 Ca 0.39 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1hdx h LEU 254 Cb 0.65 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1hdx h LEU 254 CO -0.52 0.91 0.08 0.11 0.09 0.00 0.00 178.44 179.10 1hdx h LYS 255 N 0.63 0.53 -0.47 1.13 1.57 -0.08 -2.15 116.57 117.72 1hdx h LYS 255 Ca 0.12 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1hdx h LYS 255 Cb 0.52 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1hdx h LYS 255 CO 0.03 0.59 0.32 0.93 -0.57 0.00 0.00 179.45 180.74 1hdx h GLU 256 N 0.37 0.31 0.00 3.15 5.08 -1.20 -0.05 114.58 122.24 1hdx h GLU 256 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1hdx h GLU 256 Cb 0.30 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1hdx h GLU 256 CO 0.00 0.21 0.00 1.98 -1.00 0.00 0.00 179.01 180.20 1hdx h MET 257 N 0.32 0.00 0.00 2.33 4.05 -0.90 -3.37 114.93 117.36 1hdx h MET 257 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1hdx h MET 257 Cb 0.42 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1hdx h MET 257 CO -0.05 0.00 -0.03 0.25 0.23 0.00 0.00 176.91 177.32 1hdx n THR 258 N -3.04 1.06 -2.32 -0.77 -2.24 -0.11 -4.99 114.28 101.87 1hdx n THR 258 Ca 0.04 -1.15 -0.03 0.00 -2.27 0.00 0.00 64.05 60.64 1hdx n THR 258 Cb 0.51 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1hdx n THR 258 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hdx n ASP 259 N -0.66 -2.17 0.00 3.42 8.00 -1.01 -4.12 116.55 120.01 1hdx n ASP 259 Ca 0.04 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1hdx n ASP 259 Cb 0.40 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1hdx n ASP 259 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hdx n GLY 260 N -0.93 0.40 0.00 0.44 0.00 -0.74 -5.03 105.19 99.32 1hdx n GLY 260 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1hdx n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hdx n GLY 261 N -2.00 2.77 3.90 -0.02 0.00 -1.25 -4.30 105.19 104.29 1hdx n GLY 261 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1hdx n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hdx s VAL 262 N -2.00 4.99 0.07 1.61 -7.23 0.19 -4.39 120.40 113.64 1hdx s VAL 262 Ca 0.00 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.13 1hdx s VAL 262 Cb 0.00 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 33.11 1hdx s VAL 262 CO 0.00 -0.34 1.44 0.44 -0.31 0.00 0.00 175.10 176.33 1hdx h ASP 263 N 1.66 0.48 -3.26 4.85 3.32 -1.10 -1.00 116.42 121.37 1hdx h ASP 263 Ca -0.48 -0.40 -0.52 0.00 0.02 0.00 0.00 57.03 55.65 1hdx h ASP 263 Cb 1.19 -0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.25 1hdx h ASP 263 CO 0.66 0.78 -0.81 -0.36 -1.72 0.00 0.00 179.24 177.79 1hdx s PHE 264 N -4.62 1.50 0.15 4.55 0.08 -0.91 -1.23 117.98 117.49 1hdx s PHE 264 Ca -0.14 -0.68 0.09 0.00 0.12 0.00 0.00 56.93 56.32 1hdx s PHE 264 Cb 0.07 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1hdx s PHE 264 CO 0.77 -0.43 -0.17 0.45 -0.10 0.00 0.00 175.22 175.73 1hdx s SER 265 N 1.32 3.89 -0.07 1.36 0.15 -0.81 -1.16 113.70 118.38 1hdx s SER 265 Ca -0.02 -0.64 -0.02 0.00 0.70 0.00 0.00 55.95 55.98 1hdx s SER 265 Cb -0.14 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 1hdx s SER 265 CO -0.04 0.14 0.01 -0.36 1.20 0.00 0.00 173.24 174.19 1hdx s PHE 266 N -1.43 0.58 -0.41 3.44 0.08 -0.91 -1.00 117.98 118.32 1hdx s PHE 266 Ca 0.21 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 1hdx s PHE 266 Cb -0.09 -0.76 0.04 0.00 -0.57 0.00 0.00 43.02 41.65 1hdx s PHE 266 CO 0.12 -0.32 0.28 -2.00 -0.10 0.00 0.00 175.22 173.20 1hdx s GLU 267 N 2.00 2.84 -0.78 0.44 -6.30 -0.63 -1.80 118.70 114.48 1hdx s GLU 267 Ca 0.05 -1.19 0.02 0.00 -2.50 0.00 0.00 54.97 51.35 1hdx s GLU 267 Cb -0.12 -3.88 0.31 0.00 0.00 0.00 0.00 34.13 30.44 1hdx s GLU 267 CO -0.05 -0.83 1.21 0.28 0.02 0.00 0.00 175.26 175.90 1hdx n VAL 268 N 5.06 4.05 0.02 3.70 0.31 -0.14 -1.07 118.33 130.26 1hdx n VAL 268 Ca -0.11 -5.67 0.00 0.00 -0.01 0.00 0.00 64.34 58.55 1hdx n VAL 268 Cb 0.45 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1hdx n VAL 268 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1hdx n ILE 269 N 0.22 0.00 0.00 2.52 5.41 -1.26 -4.55 119.36 121.71 1hdx n ILE 269 Ca 0.34 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.09 1hdx n ILE 269 Cb 0.35 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.23 1hdx n ILE 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hdx n GLY 270 N 0.90 1.81 3.71 7.39 0.00 -1.26 -4.48 105.19 113.26 1hdx n GLY 270 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1hdx n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hdx s ARG 271 N 0.00 2.60 0.15 1.61 0.52 -1.26 -4.17 118.95 118.40 1hdx s ARG 271 Ca 0.00 -0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 54.17 1hdx s ARG 271 Cb 0.00 -2.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 1hdx s ARG 271 CO 0.00 0.50 1.50 -0.07 0.02 0.00 0.00 175.30 177.24 1hdx h LEU 272 N 2.89 0.98 -1.00 2.53 3.38 -1.99 -2.87 115.31 119.23 1hdx h LEU 272 Ca -0.47 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.15 1hdx h LEU 272 Cb 1.19 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1hdx h LEU 272 CO 0.60 1.23 0.64 -2.24 0.09 0.00 0.00 178.44 178.76 1hdx h ASP 273 N 0.76 0.99 1.62 -0.43 2.03 -2.00 -0.26 116.42 119.13 1hdx h ASP 273 Ca 0.07 0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.35 1hdx h ASP 273 Cb 0.95 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.26 1hdx h ASP 273 CO 0.09 0.60 -0.20 0.74 -1.03 0.00 0.00 179.24 179.43 1hdx h THR 274 N 1.11 0.37 -0.19 1.15 2.02 -1.98 -2.25 112.91 113.13 1hdx h THR 274 Ca 0.46 -1.40 -0.21 0.00 0.77 0.00 0.00 66.41 66.02 1hdx h THR 274 Cb 0.29 2.08 0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1hdx h THR 274 CO -0.21 0.20 -0.70 0.24 0.37 0.00 0.00 175.52 175.42 1hdx h MET 275 N 0.00 0.79 0.79 6.66 2.86 -0.84 -2.29 114.93 122.90 1hdx h MET 275 Ca -0.00 -0.60 -0.04 0.00 -2.06 0.00 0.00 59.70 57.00 1hdx h MET 275 Cb 1.07 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.84 1hdx h MET 275 CO 0.03 1.21 -0.38 0.52 1.06 0.00 0.00 176.91 179.35 1hdx h MET 276 N 0.56 -1.02 -0.30 1.72 2.86 -1.14 -2.01 114.93 115.60 1hdx h MET 276 Ca -0.03 0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1hdx h MET 276 Cb 1.32 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.20 1hdx h MET 276 CO 0.15 -0.67 0.35 0.00 1.06 0.00 0.00 176.91 177.79 1hdx h ALA 277 N -0.95 1.95 0.00 6.32 0.00 -1.46 0.17 119.26 125.29 1hdx h ALA 277 Ca -0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1hdx h ALA 277 Cb 0.82 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1hdx h ALA 277 CO 0.18 -0.50 -0.65 1.03 0.00 0.00 0.00 179.25 179.30 1hdx h SER 278 N 0.00 0.00 0.05 0.00 0.87 -0.89 -2.84 113.55 110.74 1hdx h SER 278 Ca 0.14 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1hdx h SER 278 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1hdx h SER 278 CO -0.00 0.54 -0.02 0.25 -0.53 0.00 0.00 176.83 177.07 1hdx h LEU 279 N 0.00 -0.05 -1.94 2.23 5.85 0.01 -3.36 115.31 118.04 1hdx h LEU 279 Ca -0.03 -0.59 0.15 0.00 0.84 0.00 0.00 57.88 58.26 1hdx h LEU 279 Cb 1.43 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1hdx h LEU 279 CO 0.07 0.68 0.40 -0.07 -0.34 0.00 0.00 178.44 179.17 1hdx h LEU 280 N -0.91 0.05 -0.20 2.25 3.38 -1.46 -1.86 115.31 116.56 1hdx h LEU 280 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hdx h LEU 280 Cb 0.64 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1hdx h LEU 280 CO 0.01 0.03 -0.28 0.00 0.09 0.00 0.00 178.44 178.29 1hdx s HIS 283 N -2.43 3.07 0.63 0.00 2.46 -0.38 -4.60 115.29 114.04 1hdx s HIS 283 Ca 0.49 0.64 0.29 0.00 0.47 0.00 0.00 55.06 56.95 1hdx s HIS 283 Cb -0.10 -3.92 1.55 0.00 -0.13 0.00 0.00 32.58 29.98 1hdx s HIS 283 CO 0.35 -3.37 1.92 1.05 -2.47 0.00 0.00 174.74 172.21 1hdx h GLU 284 N 6.80 0.00 -0.00 2.88 4.11 -1.91 0.31 114.58 126.77 1hdx h GLU 284 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1hdx h GLU 284 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1hdx h GLU 284 CO 0.91 0.00 -0.33 0.00 0.07 0.00 0.00 179.01 179.66 1hdx n ALA 285 N -2.12 3.03 -1.68 1.06 0.00 -1.26 -1.70 120.51 117.84 1hdx n ALA 285 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1hdx n ALA 285 Cb 0.50 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1hdx n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hdx s GLY 287 N -0.13 2.06 -0.14 0.00 0.00 0.10 -4.89 107.32 104.33 1hdx s GLY 287 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 1hdx s GLY 287 CO 0.00 -0.83 -0.12 -1.59 0.00 0.00 0.00 173.10 170.56 1hdx s THR 288 N -1.60 3.06 -0.13 0.90 2.01 -0.37 -2.31 115.64 117.21 1hdx s THR 288 Ca 0.36 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1hdx s THR 288 Cb -0.12 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1hdx s THR 288 CO 0.28 0.52 -0.11 -0.55 -0.69 0.00 0.00 174.62 174.07 1hdx s SER 289 N 0.47 4.24 -0.11 3.53 0.15 -0.06 -1.92 113.70 120.00 1hdx s SER 289 Ca -0.09 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.34 1hdx s SER 289 Cb -0.16 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1hdx s SER 289 CO 0.04 0.19 -0.23 -0.69 1.20 0.00 0.00 173.24 173.75 1hdx s VAL 290 N 0.23 2.08 -0.12 4.45 1.01 -0.17 -2.88 120.40 124.99 1hdx s VAL 290 Ca -0.07 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 1hdx s VAL 290 Cb -0.15 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1hdx s VAL 290 CO 0.05 0.56 0.69 -0.63 0.00 0.00 0.00 175.10 175.76 1hdx s ILE 291 N 0.47 5.02 -0.02 2.22 1.01 -0.42 -1.60 121.20 127.89 1hdx s ILE 291 Ca -0.16 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.87 1hdx s ILE 291 Cb -0.17 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1hdx s ILE 291 CO 0.06 0.19 -0.02 0.52 0.00 0.00 0.00 174.94 175.68 1hdx n VAL 292 N 4.13 0.12 -0.67 2.92 0.31 -0.86 -3.84 118.33 120.44 1hdx n VAL 292 Ca -0.01 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 63.97 1hdx n VAL 292 Cb 0.51 -1.15 0.17 0.00 -0.91 0.00 0.00 33.84 32.46 1hdx n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hdx n GLY 293 N 3.08 -1.46 3.39 2.92 0.00 -0.23 -4.94 105.19 107.95 1hdx n GLY 293 Ca -0.04 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1hdx n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hdx s VAL 294 N -2.47 3.79 0.68 1.61 1.01 -1.26 -4.80 120.40 118.95 1hdx s VAL 294 Ca 0.63 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1hdx s VAL 294 Cb -0.21 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1hdx s VAL 294 CO 0.63 0.40 1.11 -2.16 0.00 0.00 0.00 175.10 175.08 1hdx s PRO 295 N 1.35 2.73 0.20 2.72 0.04 -1.26 -4.55 135.00 136.23 1hdx s PRO 295 Ca 0.04 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.12 1hdx s PRO 295 Cb -0.15 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 1hdx s PRO 295 CO 0.00 -1.30 1.49 -2.14 0.04 0.00 0.00 177.00 175.09 1hdx s PRO 296 N -4.23 4.25 -0.09 0.56 0.02 -1.26 -4.84 135.00 129.42 1hdx s PRO 296 Ca 0.66 2.30 -0.40 0.00 0.02 0.00 0.00 61.00 63.59 1hdx s PRO 296 Cb -0.20 -3.14 -0.18 0.00 0.02 0.00 0.00 34.50 31.01 1hdx s PRO 296 CO 0.44 -0.50 1.39 0.00 -0.33 0.00 0.00 177.00 178.00 1hdx n ALA 297 N 3.12 -1.53 -3.57 -1.55 0.00 -0.77 -3.03 120.51 113.17 1hdx n ALA 297 Ca 0.10 0.51 -0.23 0.00 0.00 0.00 0.00 53.44 53.82 1hdx n ALA 297 Cb 0.40 -2.01 0.08 0.00 0.00 0.00 0.00 19.45 17.92 1hdx n ALA 297 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hdx n SER 298 N 3.06 -5.89 -4.53 0.00 7.64 -1.26 -5.05 113.62 107.60 1hdx n SER 298 Ca 0.22 -0.54 -0.31 0.00 1.01 0.00 0.00 58.87 59.24 1hdx n SER 298 Cb 0.12 -5.02 -0.11 0.00 -1.01 0.00 0.00 64.21 58.19 1hdx n SER 298 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1hdx s GLN 299 N -6.20 2.30 0.03 1.43 -0.21 -1.17 -5.12 119.66 110.71 1hdx s GLN 299 Ca 0.52 -0.86 0.09 0.00 0.02 0.00 0.00 55.36 55.12 1hdx s GLN 299 Cb -0.23 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.41 1hdx s GLN 299 CO 0.72 0.57 -0.25 -0.80 -2.12 0.00 0.00 175.29 173.41 1hdx s ASN 300 N -1.47 3.00 0.00 5.90 0.02 -1.26 -5.00 114.94 116.12 1hdx s ASN 300 Ca 0.16 -0.54 -0.20 0.00 -1.02 0.00 0.00 52.86 51.26 1hdx s ASN 300 Cb -0.11 -0.28 -0.06 0.00 0.02 0.00 0.00 41.25 40.82 1hdx s ASN 300 CO 0.07 0.26 0.57 -0.76 0.02 0.00 0.00 177.10 177.25 1hdx s LEU 301 N -1.06 4.43 -0.38 0.60 1.43 -1.26 -5.06 118.68 117.38 1hdx s LEU 301 Ca 0.11 1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 54.21 1hdx s LEU 301 Cb -0.10 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1hdx s LEU 301 CO 0.01 0.14 0.26 -0.44 0.23 0.00 0.00 176.35 176.56 1hdx s SER 302 N -0.35 6.02 0.27 2.29 0.01 -1.26 -5.07 113.70 115.61 1hdx s SER 302 Ca 0.30 -0.72 0.10 0.00 1.31 0.00 0.00 55.95 56.94 1hdx s SER 302 Cb -0.18 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1hdx s SER 302 CO 0.17 -0.35 -0.17 0.27 0.41 0.00 0.00 173.24 173.57 1hdx s ILE 303 N 1.68 2.21 -0.20 1.44 -4.36 -1.26 -5.13 121.20 115.57 1hdx s ILE 303 Ca 0.05 -2.32 -0.08 0.00 -0.26 0.00 0.00 60.65 58.04 1hdx s ILE 303 Cb -0.18 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 1hdx s ILE 303 CO 0.10 -0.42 0.08 0.21 0.24 0.00 0.00 174.94 175.15 1hdx s ASN 304 N -3.47 5.64 0.58 4.36 3.84 -1.26 -5.00 114.94 119.63 1hdx s ASN 304 Ca 0.28 0.04 0.30 0.00 0.21 0.00 0.00 52.86 53.69 1hdx s ASN 304 Cb -0.03 -1.98 1.79 0.00 -0.55 0.00 0.00 41.25 40.48 1hdx s ASN 304 CO 0.13 0.12 2.24 -0.65 -2.79 0.00 0.00 177.10 176.14 1hdx h PRO 305 N 7.11 0.00 -0.04 0.43 0.11 -2.02 -1.29 132.00 136.30 1hdx h PRO 305 Ca -0.37 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.75 1hdx h PRO 305 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hdx h PRO 305 CO 0.67 0.02 0.05 0.52 -0.21 0.00 0.00 178.00 179.05 1hdx h MET 306 N 0.00 0.00 0.00 1.05 2.86 -1.99 0.12 114.93 116.97 1hdx h MET 306 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1hdx h MET 306 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1hdx h MET 306 CO 0.00 0.00 -0.07 -0.07 1.06 0.00 0.00 176.91 177.84 1hdx h LEU 307 N 0.00 0.00 0.07 1.22 3.38 -1.65 -2.86 115.31 115.47 1hdx h LEU 307 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 1hdx h LEU 307 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1hdx h LEU 307 CO -0.00 0.07 -2.18 0.18 0.09 0.00 0.00 178.44 176.60 1hdx n LEU 308 N -3.57 2.57 -0.27 1.67 4.77 -0.02 -4.38 117.00 117.76 1hdx n LEU 308 Ca -0.02 0.08 0.24 0.00 -0.03 0.00 0.00 56.01 56.29 1hdx n LEU 308 Cb 0.18 -0.91 0.58 0.00 -2.33 0.00 0.00 43.42 40.94 1hdx n LEU 308 CO 0.28 0.85 1.24 0.25 -1.33 0.00 0.00 177.39 178.68 1hdx h LEU 309 N 0.04 0.29 -1.07 2.23 5.85 -1.17 -1.87 115.31 119.61 1hdx h LEU 309 Ca -0.48 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 1hdx h LEU 309 Cb 1.99 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.01 1hdx h LEU 309 CO 0.02 0.08 -0.38 0.71 -0.34 0.00 0.00 178.44 178.54 1hdx h THR 310 N 0.27 0.98 0.00 1.05 1.35 -1.76 -3.45 112.91 111.34 1hdx h THR 310 Ca 0.52 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1hdx h THR 310 Cb 1.54 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1hdx h THR 310 CO -0.16 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1hdx n GLY 311 N 0.03 0.00 3.85 5.82 0.00 -0.69 -4.50 105.19 109.71 1hdx n GLY 311 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1hdx n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hdx s ARG 312 N 0.00 3.80 -0.17 1.61 0.52 -0.98 -3.84 118.95 119.90 1hdx s ARG 312 Ca 0.00 0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.43 1hdx s ARG 312 Cb 0.00 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 1hdx s ARG 312 CO 0.00 0.64 -0.04 0.99 0.02 0.00 0.00 175.30 176.91 1hdx s THR 313 N -1.22 3.77 -0.08 0.02 2.01 -0.98 -4.84 115.64 114.33 1hdx s THR 313 Ca 0.27 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1hdx s THR 313 Cb -0.15 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1hdx s THR 313 CO 0.15 0.48 -0.23 0.86 -0.69 0.00 0.00 174.62 175.19 1hdx s TRP 314 N 0.57 2.36 0.25 4.92 -0.00 -1.26 -0.88 118.94 124.90 1hdx s TRP 314 Ca -0.03 -0.85 -0.19 0.00 -0.00 0.00 0.00 56.10 55.03 1hdx s TRP 314 Cb -0.14 -1.57 0.02 0.00 -0.00 0.00 0.00 33.47 31.77 1hdx s TRP 314 CO 0.03 -0.32 0.63 -1.59 -0.00 0.00 0.00 176.95 175.70 1hdx s LYS 315 N 0.17 1.64 0.35 5.86 -2.85 -1.14 -5.01 119.74 118.77 1hdx s LYS 315 Ca -0.12 -0.99 0.04 0.00 -1.00 0.00 0.00 55.97 53.89 1hdx s LYS 315 Cb -0.16 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.14 1hdx s LYS 315 CO 0.06 -0.73 0.14 0.20 0.10 0.00 0.00 175.35 175.12 1hdx s GLY 316 N -2.92 2.32 -0.14 0.59 0.00 -1.26 -1.30 107.32 104.61 1hdx s GLY 316 Ca 0.12 -1.58 -0.32 0.00 0.00 0.00 0.00 44.72 42.94 1hdx s GLY 316 CO 0.05 -1.72 1.10 0.00 0.00 0.00 0.00 173.10 172.53 1hdx s ALA 317 N -3.38 -1.99 0.02 3.20 0.00 -1.25 -4.95 121.76 113.41 1hdx s ALA 317 Ca 0.31 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.78 1hdx s ALA 317 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1hdx s ALA 317 CO 0.17 -0.57 -0.20 0.08 0.00 0.00 0.00 175.76 175.24 1hdx s VAL 318 N -2.40 2.65 -2.04 0.00 1.01 -1.26 -4.69 120.40 113.67 1hdx s VAL 318 Ca 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1hdx s VAL 318 Cb -0.01 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1hdx s VAL 318 CO -0.05 0.41 0.00 -1.22 0.00 0.00 0.00 175.10 174.23 1hdx n TYR 319 N 1.80 -0.30 -3.46 5.22 4.01 -1.26 -1.53 117.16 121.64 1hdx n TYR 319 Ca -0.16 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.32 1hdx n TYR 319 Cb 0.52 -3.54 0.03 0.00 -0.31 0.00 0.00 39.34 36.04 1hdx n TYR 319 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hdx n GLY 320 N -0.54 -0.51 2.46 2.72 0.00 -1.25 -1.60 105.19 106.47 1hdx n GLY 320 Ca -0.21 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1hdx n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hdx n GLY 321 N -1.58 1.63 3.78 -0.02 0.00 -0.58 -4.14 105.19 104.28 1hdx n GLY 321 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1hdx n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hdx s PHE 322 N -2.44 3.73 -0.31 1.61 0.08 -0.63 -4.80 117.98 115.22 1hdx s PHE 322 Ca 0.00 1.74 -0.21 0.00 0.12 0.00 0.00 56.93 58.58 1hdx s PHE 322 Cb 0.00 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 1hdx s PHE 322 CO 0.00 0.28 0.65 0.15 -0.10 0.00 0.00 175.22 176.20 1hdx s LYS 323 N -1.89 3.87 0.20 0.44 1.02 -1.26 -4.83 119.74 117.29 1hdx s LYS 323 Ca 0.47 0.29 -0.17 0.00 0.02 0.00 0.00 55.97 56.58 1hdx s LYS 323 Cb -0.19 -3.74 0.19 0.00 -0.52 0.00 0.00 37.83 33.56 1hdx s LYS 323 CO 0.24 -0.62 1.60 0.66 -0.92 0.00 0.00 175.35 176.31 1hdx h SER 324 N 8.23 -0.97 0.89 2.83 4.64 -1.89 0.15 113.55 127.43 1hdx h SER 324 Ca -0.26 0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1hdx h SER 324 Cb 1.11 0.53 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 1hdx h SER 324 CO 0.82 -0.28 -0.30 0.11 -0.87 0.00 0.00 176.83 176.31 1hdx h LYS 325 N -0.10 0.00 0.07 4.77 1.57 -1.89 -2.97 116.57 118.02 1hdx h LYS 325 Ca 0.28 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.70 1hdx h LYS 325 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1hdx h LYS 325 CO -0.70 0.30 -2.08 0.39 -0.57 0.00 0.00 179.45 176.78 1hdx n GLU 326 N -3.46 0.71 -0.03 3.15 1.02 -1.09 -4.49 120.64 116.46 1hdx n GLU 326 Ca -0.00 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 1hdx n GLU 326 Cb 0.47 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 1hdx n GLU 326 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1hdx h GLY 327 N 1.83 0.12 0.83 0.62 0.00 -0.77 -3.23 103.07 102.46 1hdx h GLY 327 Ca -0.44 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 46.78 1hdx h GLY 327 CO 0.05 0.11 0.17 -2.22 0.00 0.00 0.00 176.54 174.65 1hdx h ILE 328 N -0.36 0.98 -0.49 2.60 1.08 -1.72 -1.23 117.51 118.37 1hdx h ILE 328 Ca 0.01 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1hdx h ILE 328 Cb 0.56 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1hdx h ILE 328 CO 0.01 0.06 0.26 1.55 -0.69 0.00 0.00 178.15 179.35 1hdx h PRO 329 N 0.35 0.50 -0.74 2.37 0.13 -1.79 -2.33 132.00 130.51 1hdx h PRO 329 Ca 0.15 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 65.37 1hdx h PRO 329 Cb 0.06 -0.11 -0.09 0.00 0.13 0.00 0.00 31.00 30.99 1hdx h PRO 329 CO -0.10 0.33 0.31 -0.22 -0.23 0.00 0.00 178.00 178.09 1hdx h LYS 330 N 0.52 0.46 -0.34 0.86 3.11 -1.36 0.14 116.57 119.97 1hdx h LYS 330 Ca 0.21 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.99 1hdx h LYS 330 Cb 0.09 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1hdx h LYS 330 CO -0.13 0.31 0.10 -0.07 -2.81 0.00 0.00 179.45 176.84 1hdx h LEU 331 N 0.48 0.50 -0.91 5.20 3.38 -1.02 -1.69 115.31 121.25 1hdx h LEU 331 Ca 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1hdx h LEU 331 Cb 0.55 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1hdx h LEU 331 CO -0.37 0.59 0.52 0.58 0.09 0.00 0.00 178.44 179.86 1hdx h VAL 332 N 0.39 1.26 -0.69 1.22 2.07 -0.60 0.13 116.25 120.03 1hdx h VAL 332 Ca 0.11 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1hdx h VAL 332 Cb 0.27 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1hdx h VAL 332 CO -0.00 0.28 0.38 0.00 0.02 0.00 0.00 177.57 178.24 1hdx h ALA 333 N 1.29 0.88 -0.24 1.67 0.00 -0.60 0.72 119.26 122.97 1hdx h ALA 333 Ca 0.32 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1hdx h ALA 333 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1hdx h ALA 333 CO -0.06 0.39 -0.29 -0.44 0.00 0.00 0.00 179.25 178.86 1hdx h ASP 334 N 0.94 0.49 0.10 0.00 3.32 -0.25 0.15 116.42 121.18 1hdx h ASP 334 Ca 0.24 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1hdx h ASP 334 Cb 0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1hdx h ASP 334 CO -0.04 0.77 -0.05 0.15 -1.72 0.00 0.00 179.24 178.35 1hdx h PHE 335 N 0.42 -0.13 0.00 4.55 3.57 -0.08 -0.76 116.94 124.51 1hdx h PHE 335 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1hdx h PHE 335 Cb 0.72 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1hdx h PHE 335 CO 0.02 -0.02 -0.12 0.52 -2.23 0.00 0.00 178.31 176.49 1hdx h MET 336 N -0.21 0.00 -0.87 1.11 2.86 -0.53 -0.59 114.93 116.71 1hdx h MET 336 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1hdx h MET 336 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1hdx h MET 336 CO 0.02 0.12 0.00 0.00 1.06 0.00 0.00 176.91 178.11 1hdx n ALA 337 N -2.40 2.95 -2.37 6.32 0.00 0.49 -4.88 120.51 120.62 1hdx n ALA 337 Ca -0.02 -0.62 -0.19 0.00 0.00 0.00 0.00 53.44 52.61 1hdx n ALA 337 Cb 0.20 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1hdx n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hdx n LYS 338 N 0.20 -1.80 0.17 0.00 5.02 -0.23 -4.91 118.16 116.62 1hdx n LYS 338 Ca 0.09 0.92 0.06 0.00 -2.02 0.00 0.00 58.31 57.36 1hdx n LYS 338 Cb 0.56 -5.56 0.18 0.00 -0.02 0.00 0.00 35.03 30.19 1hdx n LYS 338 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1hdx h LYS 339 N 0.00 0.00 -3.18 1.97 6.56 -1.30 -3.47 116.57 117.15 1hdx h LYS 339 Ca -0.44 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.17 1hdx h LYS 339 Cb 1.33 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.93 1hdx h LYS 339 CO 0.53 0.37 0.15 -0.59 -2.06 0.00 0.00 179.45 177.84 1hdx s PHE 340 N -3.22 0.00 -0.03 -1.35 -0.12 -1.26 -5.02 117.98 106.98 1hdx s PHE 340 Ca 0.03 -0.46 0.04 0.00 -0.05 0.00 0.00 56.93 56.49 1hdx s PHE 340 Cb 0.08 0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 43.05 1hdx s PHE 340 CO 0.70 -1.22 -0.14 0.45 -0.05 0.00 0.00 175.22 174.96 1hdx s SER 341 N -2.97 1.78 0.00 1.98 0.15 -1.26 -4.83 113.70 108.55 1hdx s SER 341 Ca 0.15 -0.28 0.25 0.00 0.70 0.00 0.00 55.95 56.76 1hdx s SER 341 Cb -0.05 -0.40 0.44 0.00 -1.71 0.00 0.00 66.02 64.31 1hdx s SER 341 CO 0.08 0.14 1.40 0.18 1.20 0.00 0.00 173.24 176.24 1hdx n LEU 342 N 3.05 2.67 0.08 3.45 4.77 -1.26 -4.67 117.00 125.08 1hdx n LEU 342 Ca -0.17 -0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 54.74 1hdx n LEU 342 Cb 0.54 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1hdx n LEU 342 CO 0.25 0.47 0.63 0.44 -1.33 0.00 0.00 177.39 177.85 1hdx h ASP 343 N 4.03 -1.04 0.00 -1.43 5.19 -1.95 -2.92 116.42 118.30 1hdx h ASP 343 Ca 0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1hdx h ASP 343 Cb 0.86 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1hdx h ASP 343 CO 0.00 -0.42 0.11 0.00 -3.12 0.00 0.00 179.24 175.81 1hdx h ALA 344 N 0.11 1.10 0.00 3.45 0.00 -2.03 -1.91 119.26 119.98 1hdx h ALA 344 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1hdx h ALA 344 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1hdx h ALA 344 CO -0.25 -0.10 -0.71 -0.07 0.00 0.00 0.00 179.25 178.11 1hdx h LEU 345 N 0.00 0.00 -9.05 0.00 3.38 -1.87 -3.44 115.31 104.33 1hdx h LEU 345 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1hdx h LEU 345 Cb 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 1hdx h LEU 345 CO 0.00 0.36 0.01 -0.63 0.09 0.00 0.00 178.44 178.27 1hdx s ILE 346 N -3.05 5.07 -0.07 1.22 1.01 -0.72 -0.23 121.20 124.43 1hdx s ILE 346 Ca 0.02 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.69 1hdx s ILE 346 Cb 0.08 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1hdx s ILE 346 CO 0.75 0.12 0.13 0.35 0.00 0.00 0.00 174.94 176.30 1hdx n THR 347 N 4.86 0.00 -3.70 2.92 -2.24 0.01 -4.92 114.28 111.21 1hdx n THR 347 Ca -0.04 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1hdx n THR 347 Cb 0.50 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 1hdx n THR 347 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1hdx s HIS 348 N -2.05 -0.54 -0.17 4.78 3.76 -1.19 -4.98 115.29 114.90 1hdx s HIS 348 Ca -0.01 1.31 -0.01 0.00 -0.15 0.00 0.00 55.06 56.21 1hdx s HIS 348 Cb 0.03 0.19 0.05 0.00 1.11 0.00 0.00 32.58 33.96 1hdx s HIS 348 CO 0.20 -0.28 -0.03 0.08 -0.85 0.00 0.00 174.74 173.85 1hdx s VAL 349 N 0.17 0.98 0.29 -0.90 1.01 -1.26 -0.73 120.40 119.97 1hdx s VAL 349 Ca -0.01 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.46 1hdx s VAL 349 Cb -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1hdx s VAL 349 CO 0.01 0.06 -0.03 -0.76 0.00 0.00 0.00 175.10 174.38 1hdx s LEU 350 N 1.68 3.05 0.31 3.92 1.43 0.28 -4.96 118.68 124.39 1hdx s LEU 350 Ca 0.00 -0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 52.04 1hdx s LEU 350 Cb -0.16 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 1hdx s LEU 350 CO -0.07 -0.06 0.99 -2.16 0.23 0.00 0.00 176.35 175.28 1hdx s PRO 351 N -3.67 4.59 0.37 1.29 0.04 -1.26 -1.46 135.00 134.90 1hdx s PRO 351 Ca 0.32 1.49 0.20 0.00 0.04 0.00 0.00 61.00 63.06 1hdx s PRO 351 Cb -0.05 -2.95 1.31 0.00 0.04 0.00 0.00 34.50 32.86 1hdx s PRO 351 CO 0.19 0.25 1.59 0.35 0.04 0.00 0.00 177.00 179.43 1hdx h PHE 352 N 3.42 0.84 -0.29 0.56 3.57 -0.71 0.14 116.94 124.47 1hdx h PHE 352 Ca -0.47 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.16 1hdx h PHE 352 Cb 1.20 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1hdx h PHE 352 CO 0.60 -0.42 0.33 0.93 -2.23 0.00 0.00 178.31 177.52 1hdx h GLU 353 N 0.06 0.00 -0.95 1.11 4.39 -1.92 -0.61 114.58 116.65 1hdx h GLU 353 Ca 0.83 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 60.10 1hdx h GLU 353 Cb 2.17 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 30.56 1hdx h GLU 353 CO -0.73 0.00 0.54 1.63 -1.16 0.00 0.00 179.01 179.29 1hdx n LYS 354 N -3.74 2.48 -0.32 2.33 5.02 0.50 -4.68 118.16 119.74 1hdx n LYS 354 Ca 0.04 -2.84 0.12 0.00 -2.02 0.00 0.00 58.31 53.61 1hdx n LYS 354 Cb 0.47 -2.12 0.30 0.00 -0.02 0.00 0.00 35.03 33.67 1hdx n LYS 354 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1hdx h ILE 355 N 1.28 0.62 0.00 -0.18 2.10 -1.28 0.10 117.51 120.15 1hdx h ILE 355 Ca 0.53 -0.21 -0.01 0.00 1.08 0.00 0.00 64.86 66.25 1hdx h ILE 355 Cb 2.66 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 38.36 1hdx h ILE 355 CO 0.97 0.11 -0.05 0.78 -1.08 0.00 0.00 178.15 178.88 1hdx h ASN 356 N 0.60 0.00 -0.04 2.19 2.35 -1.87 -1.42 115.58 117.39 1hdx h ASN 356 Ca 0.56 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 56.08 1hdx h ASN 356 Cb 0.94 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.32 1hdx h ASN 356 CO -0.43 0.05 -0.84 -0.08 -1.65 0.00 0.00 177.43 174.48 1hdx h GLU 357 N 0.00 0.71 -0.38 0.81 4.81 -1.18 -2.72 114.58 116.62 1hdx h GLU 357 Ca -0.00 -0.62 -0.05 0.00 -0.13 0.00 0.00 59.36 58.56 1hdx h GLU 357 Cb 0.12 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1hdx h GLU 357 CO 0.01 1.23 0.03 0.78 -0.73 0.00 0.00 179.01 180.33 1hdx h GLY 358 N 0.66 0.63 1.87 1.92 0.00 -1.03 -1.66 103.07 105.45 1hdx h GLY 358 Ca -0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1hdx h GLY 358 CO 0.17 0.35 -0.59 0.74 0.00 0.00 0.00 176.54 177.21 1hdx h PHE 359 N 0.57 0.18 -0.46 5.60 -1.00 -1.33 -3.05 116.94 117.44 1hdx h PHE 359 Ca 0.12 -0.07 -0.13 0.00 2.81 0.00 0.00 57.97 60.71 1hdx h PHE 359 Cb 0.32 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1hdx h PHE 359 CO 0.01 0.69 -0.22 -0.44 -1.61 0.00 0.00 178.31 176.74 1hdx h ASP 360 N 0.10 0.97 -0.95 2.17 5.19 -1.01 -1.86 116.42 121.04 1hdx h ASP 360 Ca -0.00 -0.37 0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1hdx h ASP 360 Cb 1.06 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.25 1hdx h ASP 360 CO 0.08 1.15 0.63 -0.07 -3.12 0.00 0.00 179.24 177.91 1hdx h LEU 361 N 0.82 1.05 0.74 1.55 3.38 -1.35 -1.01 115.31 120.48 1hdx h LEU 361 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1hdx h LEU 361 Cb 0.79 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1hdx h LEU 361 CO 0.07 0.73 -0.35 0.25 0.09 0.00 0.00 178.44 179.22 1hdx h LEU 362 N 1.22 -0.84 -1.87 1.67 5.85 -1.44 -2.26 115.31 117.64 1hdx h LEU 362 Ca 0.37 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1hdx h LEU 362 Cb -0.03 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1hdx h LEU 362 CO -0.10 -0.52 0.15 0.45 -0.34 0.00 0.00 178.44 178.08 1hdx h HIS 363 N -1.13 0.00 0.00 1.25 3.86 -0.64 -0.75 115.15 117.74 1hdx h HIS 363 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1hdx h HIS 363 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1hdx h HIS 363 CO -0.00 0.00 -1.60 -1.13 0.86 0.00 0.00 177.93 176.05 1hdx n SER 364 N -2.60 0.64 0.00 2.45 3.41 -0.45 -5.01 113.62 112.07 1hdx n SER 364 Ca -0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1hdx n SER 364 Cb 0.19 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 1hdx n SER 364 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hdx n GLY 365 N 1.41 0.82 0.01 5.00 0.00 -0.29 -4.98 105.19 107.16 1hdx n GLY 365 Ca -0.02 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1hdx n GLY 365 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hdx n LYS 366 N -2.17 0.13 -4.42 1.61 5.02 -0.97 -4.95 118.16 112.40 1hdx n LYS 366 Ca 0.00 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 1hdx n LYS 366 Cb 0.05 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.41 1hdx n LYS 366 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1hdx s SER 367 N -3.36 3.95 0.00 4.39 1.04 -1.24 -5.04 113.70 113.44 1hdx s SER 367 Ca 0.06 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1hdx s SER 367 Cb 0.16 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1hdx s SER 367 CO 0.82 0.21 0.00 -0.38 0.98 0.00 0.00 173.24 174.87 1hdx n ILE 368 N 1.07 0.00 -4.26 -1.02 2.08 -1.26 -4.88 119.36 111.09 1hdx n ILE 368 Ca -0.15 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.80 1hdx n ILE 368 Cb 0.52 -0.22 -0.09 0.00 -0.75 0.00 0.00 39.64 39.10 1hdx n ILE 368 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1hdx s ARG 369 N 0.23 3.19 -0.20 0.38 1.81 0.69 -4.71 118.95 120.34 1hdx s ARG 369 Ca 0.00 -0.36 -0.05 0.00 -1.72 0.00 0.00 55.73 53.60 1hdx s ARG 369 Cb 0.00 -2.91 -0.02 0.00 -0.45 0.00 0.00 34.95 31.57 1hdx s ARG 369 CO 0.00 0.65 -0.02 0.99 -0.68 0.00 0.00 175.30 176.24 1hdx s THR 370 N -0.71 3.78 -0.17 0.02 2.01 -1.26 -0.81 115.64 118.49 1hdx s THR 370 Ca 0.12 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 1hdx s THR 370 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1hdx s THR 370 CO 0.02 0.43 0.10 -0.69 -0.69 0.00 0.00 174.62 173.80 1hdx s VAL 371 N 1.08 5.17 -0.19 3.82 1.01 0.09 -2.02 120.40 129.36 1hdx s VAL 371 Ca 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1hdx s VAL 371 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1hdx s VAL 371 CO 0.01 0.49 0.03 -0.76 0.00 0.00 0.00 175.10 174.86 1hdx s LEU 372 N 0.06 3.48 0.19 3.92 1.43 0.31 -0.55 118.68 127.52 1hdx s LEU 372 Ca 0.08 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1hdx s LEU 372 Cb -0.12 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1hdx s LEU 372 CO -0.00 0.10 0.07 0.28 0.23 0.00 0.00 176.35 177.03 1hdx s THR 373 N 0.79 4.04 -1.18 5.49 -1.32 -0.54 -0.81 115.64 122.11 1hdx s THR 373 Ca 0.02 -1.38 0.09 0.00 -1.21 0.00 0.00 61.69 59.22 1hdx s THR 373 Cb -0.14 -3.08 0.07 0.00 -1.51 0.00 0.00 72.50 67.84 1hdx s THR 373 CO 0.02 -0.18 0.80 0.49 -2.21 0.00 0.00 174.62 173.54