#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1b s ALA 2 N 0.00 3.41 0.56 3.17 0.00 -1.26 -5.05 121.76 122.58 3h1b s ALA 2 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 3h1b s ALA 2 Cb 0.00 -2.85 -0.12 0.00 0.00 0.00 0.00 23.12 20.15 3h1b s ALA 2 CO 0.00 -0.11 0.10 0.41 0.00 0.00 0.00 175.76 176.16 3h1b n GLY 3 N 3.23 -2.62 0.29 0.00 0.00 -1.26 -4.83 105.19 100.01 3h1b n GLY 3 Ca -0.03 -0.21 0.17 0.00 0.00 0.00 0.00 46.02 45.95 3h1b n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1b h PRO 4 N 0.01 0.00 0.13 1.61 0.13 -2.01 -3.11 132.00 128.76 3h1b h PRO 4 Ca -0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.43 3h1b h PRO 4 Cb 1.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.56 3h1b h PRO 4 CO 0.43 0.04 -1.24 0.93 -0.23 0.00 0.00 178.00 177.94 3h1b h GLU 5 N 0.00 0.31 0.11 0.86 3.07 -1.90 -3.04 114.58 114.00 3h1b h GLU 5 Ca -0.00 -0.51 -0.26 0.00 -0.50 0.00 0.00 59.36 58.08 3h1b h GLU 5 Cb 0.30 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3h1b h GLU 5 CO 0.01 1.23 -1.20 0.97 -1.40 0.00 0.00 179.01 178.62 3h1b h ILE 6 N 0.10 1.52 -0.64 3.13 6.09 -1.89 0.19 117.51 126.02 3h1b h ILE 6 Ca -0.14 -3.08 0.02 0.00 -1.37 0.00 0.00 64.86 60.29 3h1b h ILE 6 Cb 1.95 2.91 -0.04 0.00 0.47 0.00 0.00 36.82 42.12 3h1b h ILE 6 CO 0.21 0.90 0.41 0.58 -3.07 0.00 0.00 178.15 177.17 3h1b h VAL 7 N 0.07 1.11 -0.25 2.19 2.07 -1.63 0.14 116.25 119.95 3h1b h VAL 7 Ca -0.12 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 3h1b h VAL 7 Cb 1.93 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3h1b h VAL 7 CO 0.19 0.15 -0.41 0.50 0.02 0.00 0.00 177.57 178.02 3h1b h LYS 8 N 0.81 0.71 -0.07 1.57 3.64 -1.42 -1.43 116.57 120.39 3h1b h LYS 8 Ca 0.25 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3h1b h LYS 8 Cb -0.02 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3h1b h LYS 8 CO -0.08 1.06 0.02 1.25 -2.27 0.00 0.00 179.45 179.42 3h1b h LEU 9 N 0.44 0.11 -0.28 5.20 5.85 -0.49 -0.45 115.31 125.68 3h1b h LEU 9 Ca 0.02 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3h1b h LEU 9 Cb 1.00 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 3h1b h LEU 9 CO 0.09 0.29 -0.50 0.11 -0.34 0.00 0.00 178.44 178.10 3h1b h LYS 10 N -0.09 -0.40 -0.89 1.25 1.57 -0.72 -1.78 116.57 115.51 3h1b h LYS 10 Ca 0.02 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.07 3h1b h LYS 10 Cb 0.23 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.48 3h1b h LYS 10 CO -0.00 -0.27 0.21 -0.22 -0.57 0.00 0.00 179.45 178.60 3h1b h LYS 11 N -0.42 0.17 -0.27 3.15 3.64 -1.25 -1.20 116.57 120.40 3h1b h LYS 11 Ca 0.05 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3h1b h LYS 11 Cb 0.56 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3h1b h LYS 11 CO -0.49 0.11 -0.02 0.82 -2.27 0.00 0.00 179.45 177.60 3h1b h ILE 12 N 0.17 1.27 0.03 2.00 2.04 -0.73 -1.16 117.51 121.13 3h1b h ILE 12 Ca 0.56 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.46 3h1b h ILE 12 Cb 1.14 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3h1b h ILE 12 CO -0.69 0.31 -0.22 -0.07 0.00 0.00 0.00 178.15 177.48 3h1b h LEU 13 N 0.25 -0.65 -0.88 1.44 3.38 -1.25 0.13 115.31 117.73 3h1b h LEU 13 Ca 0.07 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3h1b h LEU 13 Cb 0.47 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 3h1b h LEU 13 CO 0.02 -0.30 0.53 -0.09 0.09 0.00 0.00 178.44 178.69 3h1b h ARG 14 N -0.37 0.86 0.31 1.13 9.65 -1.27 -2.36 114.38 122.32 3h1b h ARG 14 Ca 0.05 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3h1b h ARG 14 Cb 0.43 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3h1b h ARG 14 CO -0.18 0.57 -0.15 0.93 2.80 0.00 0.00 179.97 183.94 3h1b h GLU 15 N 0.89 -0.40 0.00 0.20 5.08 -0.38 -3.24 114.58 116.73 3h1b h GLU 15 Ca 0.42 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3h1b h GLU 15 Cb 0.36 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3h1b h GLU 15 CO -0.24 -0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.28 3h1b n LYS 16 N -5.16 0.57 -2.40 2.33 5.02 0.37 -4.90 118.16 113.99 3h1b n LYS 16 Ca -0.10 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 3h1b n LYS 16 Cb 0.25 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3h1b n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1b s ALA 17 N -2.30 3.43 0.27 7.82 0.00 -0.89 -5.05 121.76 125.03 3h1b s ALA 17 Ca 0.31 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 3h1b s ALA 17 Cb 0.17 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 3h1b s ALA 17 CO 0.34 -0.33 1.53 0.08 0.00 0.00 0.00 175.76 177.38 3h1b s VAL 18 N -0.24 2.32 -0.57 0.00 1.01 -1.26 -4.98 120.40 116.68 3h1b s VAL 18 Ca 0.51 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 3h1b s VAL 18 Cb -0.32 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 32.92 3h1b s VAL 18 CO 0.37 0.04 1.15 -2.84 0.00 0.00 0.00 175.10 173.83 3h1b s PRO 19 N -0.42 3.51 -1.09 2.72 0.02 -1.26 -4.90 135.00 133.59 3h1b s PRO 19 Ca 0.62 0.21 -0.22 0.00 0.02 0.00 0.00 61.00 61.63 3h1b s PRO 19 Cb -0.45 -4.01 0.01 0.00 0.02 0.00 0.00 34.50 30.07 3h1b s PRO 19 CO 0.46 -1.62 1.72 -1.25 -0.33 0.00 0.00 177.00 175.97 3h1b s PRO 20 N 4.76 3.26 0.00 5.54 0.04 -1.26 -3.19 135.00 144.16 3h1b s PRO 20 Ca 0.42 -1.15 0.23 0.00 0.04 0.00 0.00 61.00 60.54 3h1b s PRO 20 Cb -0.08 -5.31 0.51 0.00 0.04 0.00 0.00 34.50 29.66 3h1b s PRO 20 CO 0.25 -2.79 1.45 0.41 0.04 0.00 0.00 177.00 176.36 3h1b n GLY 21 N 6.34 1.92 3.73 0.56 0.00 -1.26 -5.11 105.19 111.37 3h1b n GLY 21 Ca 0.41 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3h1b n GLY 21 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h1b s THR 22 N -1.35 5.10 -0.39 2.61 -1.32 -1.19 -4.94 115.64 114.16 3h1b s THR 22 Ca 0.42 1.17 -0.13 0.00 -1.21 0.00 0.00 61.69 61.94 3h1b s THR 22 Cb 0.24 -3.91 0.02 0.00 -1.51 0.00 0.00 72.50 67.34 3h1b s THR 22 CO 0.32 0.31 0.26 -0.70 -2.21 0.00 0.00 174.62 172.60 3h1b s GLU 23 N 0.57 2.90 -0.27 7.08 2.56 -1.26 -4.99 118.70 125.29 3h1b s GLU 23 Ca 0.31 -1.05 -0.11 0.00 0.00 0.00 0.00 54.97 54.12 3h1b s GLU 23 Cb -0.16 -3.86 -0.05 0.00 2.00 0.00 0.00 34.13 32.06 3h1b s GLU 23 CO 0.14 -0.73 0.19 0.08 -0.56 0.00 0.00 175.26 174.39 3h1b s VAL 24 N 1.62 5.32 1.01 3.70 1.01 -1.26 -5.06 120.40 126.73 3h1b s VAL 24 Ca 0.04 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 3h1b s VAL 24 Cb -0.19 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.69 3h1b s VAL 24 CO 0.08 0.27 0.07 -0.81 0.00 0.00 0.00 175.10 174.71 3h1b n PRO 25 N 4.86 -0.67 0.43 2.72 -0.04 -1.26 -4.70 135.00 136.34 3h1b n PRO 25 Ca -0.14 -0.17 -0.18 0.00 -0.04 0.00 0.00 63.50 62.97 3h1b n PRO 25 Cb 0.52 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 3h1b n PRO 25 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h1b h LEU 26 N -1.65 -1.07 -1.42 1.53 6.46 -1.99 -2.02 115.31 115.15 3h1b h LEU 26 Ca -0.47 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 3h1b h LEU 26 Cb 1.31 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 3h1b h LEU 26 CO 0.34 -0.71 -0.19 -2.24 -0.62 0.00 0.00 178.44 175.03 3h1b h ASP 27 N -1.15 0.00 -0.69 1.25 2.03 -1.98 0.59 116.42 116.48 3h1b h ASP 27 Ca -0.11 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.24 3h1b h ASP 27 Cb 0.90 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.35 3h1b h ASP 27 CO 0.15 0.19 0.41 0.58 -1.03 0.00 0.00 179.24 179.53 3h1b h VAL 28 N 0.00 1.03 -0.57 4.15 2.07 -1.90 0.12 116.25 121.16 3h1b h VAL 28 Ca -0.00 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3h1b h VAL 28 Cb 0.60 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3h1b h VAL 28 CO 0.02 0.14 0.27 0.24 0.02 0.00 0.00 177.57 178.27 3h1b h MET 29 N 0.77 0.82 0.10 1.57 2.86 0.85 -2.44 114.93 119.45 3h1b h MET 29 Ca 0.29 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3h1b h MET 29 Cb 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3h1b h MET 29 CO -0.15 0.67 -0.05 0.00 1.06 0.00 0.00 176.91 178.44 3h1b h ARG 30 N 0.77 -0.12 -0.42 1.72 3.08 -0.79 -2.75 114.38 115.87 3h1b h ARG 30 Ca 0.19 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.28 3h1b h ARG 30 Cb 0.12 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3h1b h ARG 30 CO -0.02 0.03 0.28 0.87 -1.07 0.00 0.00 179.97 180.06 3h1b h LYS 31 N -0.26 0.44 -0.04 0.04 1.57 -0.75 -2.60 116.57 114.97 3h1b h LYS 31 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3h1b h LYS 31 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3h1b h LYS 31 CO 0.02 0.29 -0.02 0.78 -0.57 0.00 0.00 179.45 179.96 3h1b h GLY 32 N 0.45 0.08 1.58 3.86 0.00 -1.27 -1.59 103.07 106.19 3h1b h GLY 32 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.43 3h1b h GLY 32 CO -0.04 0.07 0.28 -0.33 0.00 0.00 0.00 176.54 176.51 3h1b h MET 33 N -0.31 0.54 -0.23 4.80 2.86 -1.38 -1.30 114.93 119.91 3h1b h MET 33 Ca 0.01 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 3h1b h MET 33 Cb 0.44 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3h1b h MET 33 CO 0.01 0.36 -0.53 0.93 1.06 0.00 0.00 176.91 178.73 3h1b h GLU 34 N 0.56 0.76 0.06 1.72 4.39 -1.33 -2.49 114.58 118.24 3h1b h GLU 34 Ca 0.15 -0.51 -0.27 0.00 0.34 0.00 0.00 59.36 59.07 3h1b h GLU 34 Cb -0.05 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3h1b h GLU 34 CO -0.03 1.14 -1.35 1.57 -1.16 0.00 0.00 179.01 179.18 3h1b h LYS 35 N 0.49 0.14 -0.00 2.33 5.09 -0.26 -2.99 116.57 121.37 3h1b h LYS 35 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.50 3h1b h LYS 35 Cb 1.14 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.56 3h1b h LYS 35 CO 0.12 1.00 -0.18 1.33 -2.09 0.00 0.00 179.45 179.63 3h1b n VAL 36 N -3.37 0.00 -1.69 0.07 0.24 -0.59 -4.93 118.33 108.06 3h1b n VAL 36 Ca -0.10 -0.05 -0.44 0.00 -2.04 0.00 0.00 64.34 61.71 3h1b n VAL 36 Cb 1.01 -0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 3h1b n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1b n ALA 37 N -1.08 1.67 -2.09 2.33 0.00 -0.94 -4.94 120.51 115.46 3h1b n ALA 37 Ca 0.12 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 3h1b n ALA 37 Cb 0.30 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 3h1b n ALA 37 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3h1b s PHE 38 N 0.45 3.40 -0.10 0.00 0.08 -1.26 -5.02 117.98 115.53 3h1b s PHE 38 Ca 0.72 1.36 -0.34 0.00 0.12 0.00 0.00 56.93 58.79 3h1b s PHE 38 Cb -0.62 -3.46 -0.12 0.00 -0.57 0.00 0.00 43.02 38.25 3h1b s PHE 38 CO 0.43 -1.36 1.89 1.17 -0.10 0.00 0.00 175.22 177.25 3h1b n LYS 39 N 2.74 2.16 -1.27 0.44 4.81 -1.26 -4.20 118.16 121.57 3h1b n LYS 39 Ca 0.05 0.79 -0.36 0.00 -0.87 0.00 0.00 58.31 57.93 3h1b n LYS 39 Cb 0.44 -2.64 0.08 0.00 0.02 0.00 0.00 35.03 32.94 3h1b n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h1b n ALA 40 N 6.70 -0.87 -1.63 3.14 0.00 -1.26 -4.83 120.51 121.76 3h1b n ALA 40 Ca 0.23 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 3h1b n ALA 40 Cb 0.29 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 17.81 3h1b n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1b n ALA 41 N -2.55 0.60 0.34 0.00 0.00 -1.26 -4.84 120.51 112.80 3h1b n ALA 41 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.56 3h1b n ALA 41 Cb 0.50 -2.22 0.18 0.00 0.00 0.00 0.00 19.45 17.90 3h1b n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h1b n ASP 42 N -1.55 2.81 -0.55 0.00 5.75 -1.26 -2.76 116.55 119.00 3h1b n ASP 42 Ca 0.15 -2.32 0.11 0.00 -0.01 0.00 0.00 54.79 52.73 3h1b n ASP 42 Cb 0.48 -0.49 0.06 0.00 -1.03 0.00 0.00 41.12 40.13 3h1b n ASP 42 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3h1b n ASP 43 N 0.33 2.09 -4.67 -1.12 3.85 -1.26 -4.86 116.55 110.91 3h1b n ASP 43 Ca 0.12 -1.54 -0.43 0.00 -0.71 0.00 0.00 54.79 52.24 3h1b n ASP 43 Cb 0.58 0.36 -0.02 0.00 -1.35 0.00 0.00 41.12 40.69 3h1b n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3h1b s ILE 44 N -2.40 4.26 0.37 2.12 -1.09 -1.11 -3.99 121.20 119.37 3h1b s ILE 44 Ca 0.21 1.55 0.08 0.00 -2.23 0.00 0.00 60.65 60.26 3h1b s ILE 44 Cb 0.19 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 3h1b s ILE 44 CO 0.52 -0.08 0.34 0.00 -1.23 0.00 0.00 174.94 174.49 3h1b s GLN 45 N 2.96 2.65 0.11 2.79 -2.07 0.34 -4.95 119.66 121.48 3h1b s GLN 45 Ca 0.55 -1.39 -0.14 0.00 -1.82 0.00 0.00 55.36 52.56 3h1b s GLN 45 Cb -0.23 -2.45 0.02 0.00 -1.09 0.00 0.00 33.01 29.26 3h1b s GLN 45 CO 0.18 -0.04 0.33 0.08 -1.32 0.00 0.00 175.29 174.51 3h1b s VAL 46 N -2.38 0.09 -0.30 3.63 1.01 -1.26 -0.86 120.40 120.34 3h1b s VAL 46 Ca 0.45 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3h1b s VAL 46 Cb -0.05 -1.20 0.17 0.00 0.00 0.00 0.00 36.38 35.30 3h1b s VAL 46 CO 0.27 -0.43 0.61 -0.70 0.00 0.00 0.00 175.10 174.85 3h1b s GLU 47 N -3.71 0.56 0.15 2.72 2.12 -1.08 -4.99 118.70 114.48 3h1b s GLU 47 Ca 0.03 1.12 -0.30 0.00 0.36 0.00 0.00 54.97 56.18 3h1b s GLU 47 Cb 0.03 0.61 -0.07 0.00 0.26 0.00 0.00 34.13 34.96 3h1b s GLU 47 CO -0.11 -0.50 0.96 -0.65 -0.54 0.00 0.00 175.26 174.42 3h1b s GLN 48 N 2.86 4.74 0.11 4.30 -0.21 -1.26 -1.54 119.66 128.65 3h1b s GLN 48 Ca 0.13 1.48 0.00 0.00 0.02 0.00 0.00 55.36 57.00 3h1b s GLN 48 Cb -0.14 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 3h1b s GLN 48 CO -0.20 0.29 -0.01 0.14 -2.12 0.00 0.00 175.29 173.39 3h1b s VAL 49 N -0.34 0.42 -0.12 1.09 -7.23 -1.03 -4.94 120.40 108.25 3h1b s VAL 49 Ca 0.45 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 3h1b s VAL 49 Cb -0.24 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.85 3h1b s VAL 49 CO 0.31 -0.69 -0.20 0.28 -0.31 0.00 0.00 175.10 174.49 3h1b s THR 50 N -3.81 1.83 -0.20 5.32 -1.32 -1.26 -1.10 115.64 115.09 3h1b s THR 50 Ca 0.17 -0.85 -0.02 0.00 -1.21 0.00 0.00 61.69 59.78 3h1b s THR 50 Cb 0.07 -1.63 0.06 0.00 -1.51 0.00 0.00 72.50 69.49 3h1b s THR 50 CO -0.02 0.51 0.03 -0.69 -2.21 0.00 0.00 174.62 172.23 3h1b s VAL 51 N 0.80 0.64 -0.94 5.08 1.01 -0.67 -4.88 120.40 121.44 3h1b s VAL 51 Ca -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3h1b s VAL 51 Cb -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3h1b s VAL 51 CO -0.00 -0.22 0.11 0.00 0.00 0.00 0.00 175.10 174.99 3h1b n ALA 52 N 5.00 -0.40 -0.93 5.51 0.00 -1.26 -0.86 120.51 127.57 3h1b n ALA 52 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3h1b n ALA 52 Cb 0.47 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3h1b n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1b n GLY 53 N -1.07 0.55 3.69 0.00 0.00 -1.26 -4.98 105.19 102.12 3h1b n GLY 53 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3h1b n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1b n ALA 55 N 1.05 1.75 -4.09 0.00 0.00 -1.26 -1.67 120.51 116.28 3h1b n ALA 55 Ca -0.13 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 3h1b n ALA 55 Cb 0.52 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 3h1b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1b n ALA 56 N -0.17 0.10 -3.67 0.00 0.00 -0.26 -1.30 120.51 115.20 3h1b n ALA 56 Ca 0.06 -1.70 -0.09 0.00 0.00 0.00 0.00 53.44 51.71 3h1b n ALA 56 Cb 0.40 1.38 -0.09 0.00 0.00 0.00 0.00 19.45 21.14 3h1b n ALA 56 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h1b s GLU 57 N -3.00 0.41 0.20 0.00 2.02 -1.22 -2.45 118.70 114.67 3h1b s GLU 57 Ca 0.33 0.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.00 3h1b s GLU 57 Cb 0.00 0.20 -0.09 0.00 0.10 0.00 0.00 34.13 34.34 3h1b s GLU 57 CO 0.23 -0.20 1.35 -1.58 0.02 0.00 0.00 175.26 175.09 3h1b s TRP 58 N 2.01 3.20 -0.28 1.61 0.23 -0.59 -1.00 118.94 124.12 3h1b s TRP 58 Ca -0.06 1.14 0.03 0.00 -2.03 0.00 0.00 56.10 55.18 3h1b s TRP 58 Cb -0.10 -3.66 0.07 0.00 0.03 0.00 0.00 33.47 29.81 3h1b s TRP 58 CO -0.14 -2.13 -0.07 0.08 0.96 0.00 0.00 176.95 175.65 3h1b s VAL 59 N 0.18 2.25 -0.15 4.03 1.01 0.61 -2.62 120.40 125.70 3h1b s VAL 59 Ca 0.58 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.80 3h1b s VAL 59 Cb -0.38 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3h1b s VAL 59 CO 0.39 -0.15 -0.18 -0.13 0.00 0.00 0.00 175.10 175.02 3h1b s ARG 60 N 1.07 2.66 1.21 2.72 0.52 -0.04 -1.92 118.95 125.17 3h1b s ARG 60 Ca -0.05 -0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 54.27 3h1b s ARG 60 Cb -0.20 -2.30 0.29 0.00 0.52 0.00 0.00 34.95 33.26 3h1b s ARG 60 CO -0.05 -0.16 1.07 0.00 0.02 0.00 0.00 175.30 176.18 3h1b s ALA 61 N 1.22 0.35 0.41 2.13 0.00 -1.26 -0.51 121.76 124.11 3h1b s ALA 61 Ca 0.01 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 3h1b s ALA 61 Cb -0.14 -2.95 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 3h1b s ALA 61 CO -0.09 -3.67 1.24 -2.14 0.00 0.00 0.00 175.76 171.10 3h1b s PRO 62 N -5.23 3.96 0.00 0.00 0.02 -1.26 -4.24 135.00 128.25 3h1b s PRO 62 Ca 0.70 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3h1b s PRO 62 Cb -0.12 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3h1b s PRO 62 CO 0.57 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 3h1b n GLY 63 N 0.65 1.16 3.82 0.52 0.00 -1.26 -4.77 105.19 105.32 3h1b n GLY 63 Ca 0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3h1b n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1b s GLN 65 N -1.77 4.46 0.06 0.00 1.11 -1.11 -4.98 119.66 117.43 3h1b s GLN 65 Ca 0.39 1.42 -0.30 0.00 0.01 0.00 0.00 55.36 56.87 3h1b s GLN 65 Cb -0.17 -3.52 -0.05 0.00 -1.01 0.00 0.00 33.01 28.27 3h1b s GLN 65 CO 0.21 -0.24 1.01 0.00 0.01 0.00 0.00 175.29 176.28 3h1b s ALA 66 N 1.71 3.23 0.00 6.09 0.00 -1.26 -3.00 121.76 128.53 3h1b s ALA 66 Ca 0.50 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.07 3h1b s ALA 66 Cb -0.19 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3h1b s ALA 66 CO 0.21 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3h1b n GLY 67 N 2.66 2.34 3.89 0.00 0.00 -1.26 -5.09 105.19 107.73 3h1b n GLY 67 Ca 0.05 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 3h1b n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1b s LYS 68 N 0.00 3.49 -0.02 1.61 1.02 -1.16 -4.69 119.74 119.99 3h1b s LYS 68 Ca 0.00 -0.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.73 3h1b s LYS 68 Cb 0.00 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3h1b s LYS 68 CO 0.00 0.72 0.26 0.00 -0.92 0.00 0.00 175.35 175.41 3h1b s ALA 69 N -1.17 -0.65 -0.22 5.17 0.00 -1.08 -3.77 121.76 120.04 3h1b s ALA 69 Ca 0.21 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 3h1b s ALA 69 Cb -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3h1b s ALA 69 CO 0.11 -0.23 -0.01 0.42 0.00 0.00 0.00 175.76 176.05 3h1b s ILE 70 N -1.15 3.71 -0.39 0.00 1.01 -0.41 -2.36 121.20 121.61 3h1b s ILE 70 Ca -0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3h1b s ILE 70 Cb -0.05 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.74 3h1b s ILE 70 CO 0.03 0.41 1.19 -0.22 0.00 0.00 0.00 174.94 176.35 3h1b s LEU 71 N 1.34 3.76 -0.27 2.97 2.96 -0.56 0.14 118.68 129.02 3h1b s LEU 71 Ca 0.04 0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 54.70 3h1b s LEU 71 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 3h1b s LEU 71 CO -0.00 -1.14 0.10 -0.47 -1.32 0.00 0.00 176.35 173.52 3h1b s TYR 72 N 4.35 3.13 -0.46 5.38 6.14 0.27 -1.43 117.35 134.72 3h1b s TYR 72 Ca 0.51 -0.41 -0.13 0.00 0.64 0.00 0.00 57.07 57.68 3h1b s TYR 72 Cb -0.11 -2.28 0.08 0.00 0.42 0.00 0.00 41.96 40.07 3h1b s TYR 72 CO 0.25 -0.36 0.36 -0.51 0.64 0.00 0.00 175.55 175.93 3h1b s LEU 73 N 1.63 5.53 0.85 6.97 1.43 0.47 -2.93 118.68 132.62 3h1b s LEU 73 Ca 0.06 -1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 3h1b s LEU 73 Cb -0.16 -2.11 0.10 0.00 0.03 0.00 0.00 46.19 44.06 3h1b s LEU 73 CO 0.05 -0.64 1.13 -1.38 0.23 0.00 0.00 176.35 175.74 3h1b s HIS 74 N 1.54 2.02 0.59 0.29 -3.43 -1.26 -2.68 115.29 112.36 3h1b s HIS 74 Ca 0.04 1.69 0.01 0.00 -0.80 0.00 0.00 55.06 56.00 3h1b s HIS 74 Cb -0.25 -3.24 0.11 0.00 -1.43 0.00 0.00 32.58 27.78 3h1b s HIS 74 CO 0.04 -2.40 0.81 0.41 -2.00 0.00 0.00 174.74 171.60 3h1b n GLY 75 N -0.32 0.91 0.00 -1.38 0.00 -1.12 -2.77 105.19 100.51 3h1b n GLY 75 Ca 0.11 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3h1b n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1b n GLY 76 N -1.36 1.68 2.85 -0.02 0.00 -1.26 -4.37 105.19 102.72 3h1b n GLY 76 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3h1b n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1b n GLY 77 N 0.00 0.68 2.53 -0.02 0.00 -1.26 -1.36 105.19 105.76 3h1b n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h1b n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h1b n TYR 78 N -2.27 0.00 0.01 1.61 4.02 -1.26 -4.78 117.16 114.49 3h1b n TYR 78 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 3h1b n TYR 78 Cb 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 3h1b n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3h1b n VAL 79 N -2.00 0.00 -3.92 -0.72 0.24 -0.91 0.10 118.33 111.12 3h1b n VAL 79 Ca 0.00 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 3h1b n VAL 79 Cb 0.00 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 3h1b n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1b s MET 80 N -2.00 1.70 0.00 7.34 0.23 -0.46 -4.67 119.30 121.43 3h1b s MET 80 Ca -0.01 -1.12 0.00 0.00 -1.03 0.00 0.00 55.69 53.54 3h1b s MET 80 Cb 0.01 0.55 0.00 0.00 -1.53 0.00 0.00 34.83 33.86 3h1b s MET 80 CO 0.09 -0.75 0.00 0.41 -2.03 0.00 0.00 175.02 172.74 3h1b n GLY 81 N -0.43 2.28 3.81 3.16 0.00 -1.26 -4.21 105.19 108.54 3h1b n GLY 81 Ca -0.03 -2.12 0.01 0.00 0.00 0.00 0.00 46.02 43.88 3h1b n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1b s SER 82 N 0.00 -0.03 0.47 1.61 1.04 -1.26 -4.94 113.70 110.59 3h1b s SER 82 Ca 0.00 -0.27 0.27 0.00 0.48 0.00 0.00 55.95 56.43 3h1b s SER 82 Cb 0.00 0.24 1.32 0.00 0.10 0.00 0.00 66.02 67.68 3h1b s SER 82 CO 0.00 -0.46 1.78 0.40 0.98 0.00 0.00 173.24 175.94 3h1b h ILE 83 N 2.00 0.46 0.06 -1.02 2.04 -1.85 -3.12 117.51 116.07 3h1b h ILE 83 Ca -0.26 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3h1b h ILE 83 Cb 1.20 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3h1b h ILE 83 CO 0.31 0.04 -0.45 -1.13 0.00 0.00 0.00 178.15 176.91 3h1b h ASN 84 N 0.20 0.30 -0.41 1.72 -1.24 -1.98 -2.72 115.58 111.45 3h1b h ASN 84 Ca 0.58 -0.91 0.12 0.00 0.71 0.00 0.00 56.30 56.81 3h1b h ASN 84 Cb 1.88 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.82 3h1b h ASN 84 CO -0.17 1.18 0.31 0.71 -1.29 0.00 0.00 177.43 178.16 3h1b h THR 85 N -0.54 0.74 0.00 -3.57 1.35 -1.86 -3.27 112.91 105.76 3h1b h THR 85 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3h1b h THR 85 Cb 1.30 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3h1b h THR 85 CO 0.09 0.00 -0.63 1.41 -0.25 0.00 0.00 175.52 176.13 3h1b n HIS 86 N -4.32 0.00 -0.00 4.73 8.25 -1.17 -4.69 115.22 118.02 3h1b n HIS 86 Ca 0.07 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.64 3h1b n HIS 86 Cb 0.50 -0.02 0.55 0.00 1.12 0.00 0.00 29.99 32.14 3h1b n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3h1b h ARG 87 N 0.00 0.28 0.39 -0.41 2.43 -1.53 -1.06 114.38 114.48 3h1b h ARG 87 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3h1b h ARG 87 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3h1b h ARG 87 CO 0.00 0.19 -0.19 1.03 -1.51 0.00 0.00 179.97 179.49 3h1b h SER 88 N 0.29 -0.44 -0.53 -3.80 0.87 -1.81 -2.23 113.55 105.91 3h1b h SER 88 Ca 0.21 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3h1b h SER 88 Cb 0.45 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 3h1b h SER 88 CO -0.05 -0.28 0.30 -0.03 -0.53 0.00 0.00 176.83 176.25 3h1b h MET 89 N -0.59 0.58 -0.53 2.24 1.85 -1.78 -1.74 114.93 114.95 3h1b h MET 89 Ca -0.05 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.98 3h1b h MET 89 Cb 0.40 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 3h1b h MET 89 CO 0.09 0.38 0.23 0.28 -0.40 0.00 0.00 176.91 177.49 3h1b h VAL 90 N 0.59 1.19 0.00 -5.77 2.07 -1.32 -1.98 116.25 111.04 3h1b h VAL 90 Ca 0.22 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3h1b h VAL 90 Cb 0.06 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3h1b h VAL 90 CO -0.12 0.22 -0.34 1.23 0.02 0.00 0.00 177.57 178.59 3h1b h GLY 91 N 0.87 0.00 1.89 2.17 0.00 -0.68 1.11 103.07 108.44 3h1b h GLY 91 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.30 3h1b h GLY 91 CO -0.02 0.00 -0.99 0.83 0.00 0.00 0.00 176.54 176.36 3h1b h GLU 92 N 0.00 0.08 -0.18 4.80 4.39 -1.07 0.13 114.58 122.74 3h1b h GLU 92 Ca -0.00 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 3h1b h GLU 92 Cb 0.63 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3h1b h GLU 92 CO 0.04 1.00 -0.10 0.82 -1.16 0.00 0.00 179.01 179.62 3h1b h ILE 93 N 0.03 1.31 -0.44 3.13 2.04 -0.63 -1.73 117.51 121.23 3h1b h ILE 93 Ca -0.04 -1.16 0.09 0.00 1.00 0.00 0.00 64.86 64.75 3h1b h ILE 93 Cb 1.70 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 39.40 3h1b h ILE 93 CO 0.14 0.35 -0.14 -1.28 0.00 0.00 0.00 178.15 177.22 3h1b h SER 94 N 0.05 -0.50 -0.66 1.72 0.87 0.13 -1.60 113.55 113.57 3h1b h SER 94 Ca 0.04 0.14 0.14 0.00 -1.23 0.00 0.00 61.79 60.88 3h1b h SER 94 Cb 0.58 0.31 -0.12 0.00 -0.44 0.00 0.00 62.40 62.73 3h1b h SER 94 CO 0.03 -0.17 -0.07 -0.09 -0.53 0.00 0.00 176.83 175.99 3h1b h ARG 95 N -0.04 0.06 -0.21 2.24 2.43 -0.72 -0.77 114.38 117.37 3h1b h ARG 95 Ca 0.21 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.19 3h1b h ARG 95 Cb 0.36 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3h1b h ARG 95 CO -0.47 0.04 -0.58 0.00 -1.51 0.00 0.00 179.97 177.45 3h1b h ALA 96 N 1.63 0.36 0.00 2.80 0.00 -0.91 -3.16 119.26 119.98 3h1b h ALA 96 Ca 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h1b h ALA 96 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h1b h ALA 96 CO -0.62 0.59 -0.12 0.66 0.00 0.00 0.00 179.25 179.76 3h1b h SER 97 N 0.51 0.00 -6.22 0.00 4.64 -1.36 -3.40 113.55 107.72 3h1b h SER 97 Ca -0.01 -0.01 -0.44 0.00 -0.47 0.00 0.00 61.79 60.85 3h1b h SER 97 Cb 1.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3h1b h SER 97 CO 0.13 0.01 -0.87 0.00 -0.87 0.00 0.00 176.83 175.22 3h1b n GLN 98 N -2.70 -3.53 -3.85 4.77 6.02 -0.34 -4.82 117.38 112.92 3h1b n GLN 98 Ca 0.04 0.53 -0.12 0.00 -0.01 0.00 0.00 57.00 57.44 3h1b n GLN 98 Cb 0.49 -4.78 -0.10 0.00 1.02 0.00 0.00 30.24 26.87 3h1b n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h1b s ALA 99 N -3.71 -0.40 0.46 -1.58 0.00 -0.95 -2.76 121.76 112.81 3h1b s ALA 99 Ca 0.12 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.88 3h1b s ALA 99 Cb -0.04 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 3h1b s ALA 99 CO 0.84 -0.20 1.00 0.00 0.00 0.00 0.00 175.76 177.41 3h1b s ALA 100 N -1.19 2.95 -0.11 0.00 0.00 -1.25 -4.29 121.76 117.88 3h1b s ALA 100 Ca -0.13 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 3h1b s ALA 100 Cb -0.06 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3h1b s ALA 100 CO 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 175.76 175.57 3h1b s ALA 101 N -2.03 2.89 -0.38 0.00 0.00 -0.81 -1.29 121.76 120.14 3h1b s ALA 101 Ca 0.64 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 3h1b s ALA 101 Cb -0.14 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3h1b s ALA 101 CO 0.18 0.36 0.73 -1.17 0.00 0.00 0.00 175.76 175.86 3h1b s LEU 102 N -0.10 4.21 -0.71 0.00 2.96 0.36 -0.29 118.68 125.12 3h1b s LEU 102 Ca 0.01 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 3h1b s LEU 102 Cb -0.13 -2.92 0.18 0.00 0.50 0.00 0.00 46.19 43.82 3h1b s LEU 102 CO 0.03 -0.72 0.56 -0.22 -1.32 0.00 0.00 176.35 174.67 3h1b s LEU 103 N 3.00 5.47 0.44 -0.68 2.96 -0.17 -0.57 118.68 129.14 3h1b s LEU 103 Ca 0.28 -3.05 -0.23 0.00 -0.22 0.00 0.00 54.13 50.91 3h1b s LEU 103 Cb -0.13 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.57 3h1b s LEU 103 CO 0.17 -0.34 1.13 -0.22 -1.32 0.00 0.00 176.35 175.76 3h1b s LEU 104 N -0.36 4.04 -0.84 -0.68 0.20 -1.15 -3.40 118.68 116.49 3h1b s LEU 104 Ca 0.20 2.21 0.01 0.00 0.69 0.00 0.00 54.13 57.24 3h1b s LEU 104 Cb -0.16 -4.24 0.27 0.00 -0.43 0.00 0.00 46.19 41.63 3h1b s LEU 104 CO -0.06 -0.79 1.05 -0.67 -0.29 0.00 0.00 176.35 175.59 3h1b n ASP 105 N -0.40 4.90 -4.72 3.68 2.03 -0.42 -4.63 116.55 116.99 3h1b n ASP 105 Ca 0.07 -3.41 -0.31 0.00 0.52 0.00 0.00 54.79 51.66 3h1b n ASP 105 Cb 0.49 -0.95 0.13 0.00 -0.72 0.00 0.00 41.12 40.07 3h1b n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3h1b s TYR 106 N -2.53 2.07 0.05 -0.67 -0.85 -1.26 -4.33 117.35 109.82 3h1b s TYR 106 Ca 0.35 1.68 -0.30 0.00 -0.52 0.00 0.00 57.07 58.28 3h1b s TYR 106 Cb 0.09 -3.21 -0.08 0.00 0.38 0.00 0.00 41.96 39.14 3h1b s TYR 106 CO 0.03 -2.34 1.70 1.03 -1.52 0.00 0.00 175.55 174.45 3h1b s ARG 107 N -4.76 4.18 0.04 -3.49 0.52 -1.26 -5.01 118.95 109.17 3h1b s ARG 107 Ca 0.64 2.36 0.02 0.00 -0.52 0.00 0.00 55.73 58.23 3h1b s ARG 107 Cb -0.20 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 3h1b s ARG 107 CO 0.57 -0.78 0.07 -0.51 0.02 0.00 0.00 175.30 174.67 3h1b s LEU 108 N 3.06 3.80 0.48 2.53 1.43 -1.26 -3.91 118.68 124.82 3h1b s LEU 108 Ca 0.76 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 3h1b s LEU 108 Cb -0.40 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3h1b s LEU 108 CO 0.33 0.22 0.75 0.00 0.23 0.00 0.00 176.35 177.88 3h1b s ALA 109 N -1.28 3.51 -0.63 4.21 0.00 0.11 -1.41 121.76 126.27 3h1b s ALA 109 Ca 0.26 -0.76 0.25 0.00 0.00 0.00 0.00 51.96 51.70 3h1b s ALA 109 Cb -0.12 -2.40 0.54 0.00 0.00 0.00 0.00 23.12 21.14 3h1b s ALA 109 CO 0.18 -0.43 1.55 -1.00 0.00 0.00 0.00 175.76 176.06 3h1b h PRO 110 N 0.24 0.00 -0.94 0.00 0.13 -1.85 -3.35 132.00 126.22 3h1b h PRO 110 Ca -0.47 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.91 3h1b h PRO 110 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 3h1b h PRO 110 CO 0.60 0.00 0.65 0.93 -0.23 0.00 0.00 178.00 179.95 3h1b h GLU 111 N 0.00 0.18 -2.87 0.86 3.07 -1.92 -3.32 114.58 110.58 3h1b h GLU 111 Ca 0.00 -0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 58.24 3h1b h GLU 111 Cb 0.79 -0.04 -0.40 0.00 -0.84 0.00 0.00 28.75 28.26 3h1b h GLU 111 CO 0.00 0.12 -0.76 -1.01 -1.40 0.00 0.00 179.01 175.96 3h1b s HIS 112 N -5.19 2.02 0.79 4.33 3.76 -0.50 -5.04 115.29 115.46 3h1b s HIS 112 Ca -0.07 -2.52 -0.13 0.00 -0.15 0.00 0.00 55.06 52.19 3h1b s HIS 112 Cb 0.23 -1.80 0.20 0.00 1.11 0.00 0.00 32.58 32.31 3h1b s HIS 112 CO 0.78 -0.75 0.68 -2.30 -0.85 0.00 0.00 174.74 172.30 3h1b n PRO 113 N 3.18 -2.50 -1.67 8.40 -0.02 -1.25 -3.82 135.00 137.33 3h1b n PRO 113 Ca 0.14 -1.09 -0.38 0.00 -2.02 0.00 0.00 63.50 60.15 3h1b n PRO 113 Cb 0.37 -1.05 0.05 0.00 -0.02 0.00 0.00 33.50 32.85 3h1b n PRO 113 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1b n PHE 114 N -4.07 1.41 -1.23 6.00 7.35 -0.51 -2.08 117.46 124.34 3h1b n PHE 114 Ca 0.10 0.44 -0.26 0.00 -0.76 0.00 0.00 57.45 56.96 3h1b n PHE 114 Cb 0.37 -2.22 0.04 0.00 0.35 0.00 0.00 39.48 38.02 3h1b n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3h1b n PRO 115 N -1.07 2.28 -0.02 -7.13 -0.04 -1.26 -4.98 135.00 122.78 3h1b n PRO 115 Ca 0.13 -2.43 -0.17 0.00 -0.04 0.00 0.00 63.50 60.99 3h1b n PRO 115 Cb 0.46 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 3h1b n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1b h ALA 116 N 2.03 0.21 -0.36 0.55 0.00 -1.65 -2.79 119.26 117.25 3h1b h ALA 116 Ca 0.44 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3h1b h ALA 116 Cb 0.76 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3h1b h ALA 116 CO 1.12 0.46 -0.32 0.00 0.00 0.00 0.00 179.25 180.51 3h1b h ALA 117 N 0.47 0.76 -0.67 0.00 0.00 -1.81 -1.44 119.26 116.57 3h1b h ALA 117 Ca -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3h1b h ALA 117 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3h1b h ALA 117 CO 0.12 0.65 0.45 0.28 0.00 0.00 0.00 179.25 180.75 3h1b h VAL 118 N 0.66 1.16 -0.08 0.00 2.07 -1.90 -1.07 116.25 117.10 3h1b h VAL 118 Ca 0.07 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3h1b h VAL 118 Cb 0.86 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3h1b h VAL 118 CO 0.08 0.16 -0.06 -0.33 0.02 0.00 0.00 177.57 177.44 3h1b h GLU 119 N 0.90 0.17 -0.71 1.57 5.08 -1.18 -1.44 114.58 118.97 3h1b h GLU 119 Ca 0.25 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.65 3h1b h GLU 119 Cb -0.09 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.07 3h1b h GLU 119 CO -0.06 0.59 0.27 -0.44 -1.00 0.00 0.00 179.01 178.37 3h1b h ASP 120 N -0.23 0.25 0.74 1.42 3.32 -1.03 -0.02 116.42 120.87 3h1b h ASP 120 Ca 0.01 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3h1b h ASP 120 Cb 0.55 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3h1b h ASP 120 CO 0.02 0.11 -0.44 1.23 -1.72 0.00 0.00 179.24 178.43 3h1b h GLY 121 N 0.43 -1.21 -0.21 2.75 0.00 -1.01 0.84 103.07 104.64 3h1b h GLY 121 Ca 0.38 0.49 0.10 0.00 0.00 0.00 0.00 47.33 48.30 3h1b h GLY 121 CO -0.38 -0.42 -0.25 -2.08 0.00 0.00 0.00 176.54 173.41 3h1b h VAL 122 N -1.11 0.30 -0.51 4.60 2.07 -1.27 0.65 116.25 120.99 3h1b h VAL 122 Ca -0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3h1b h VAL 122 Cb 0.89 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3h1b h VAL 122 CO 0.11 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.72 3h1b h ALA 123 N 1.16 0.68 -0.47 1.67 0.00 -0.78 -0.05 119.26 121.48 3h1b h ALA 123 Ca 0.23 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3h1b h ALA 123 Cb 0.50 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3h1b h ALA 123 CO -0.59 0.47 0.09 0.00 0.00 0.00 0.00 179.25 179.22 3h1b h ALA 124 N 0.95 0.51 -0.19 0.00 0.00 0.90 -0.80 119.26 120.63 3h1b h ALA 124 Ca 0.15 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3h1b h ALA 124 Cb 0.48 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3h1b h ALA 124 CO 0.02 -0.31 -0.08 -0.92 0.00 0.00 0.00 179.25 177.96 3h1b h TYR 125 N 0.22 0.30 0.12 0.00 3.20 -0.13 -0.89 116.97 119.79 3h1b h TYR 125 Ca 0.23 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3h1b h TYR 125 Cb 0.30 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3h1b h TYR 125 CO -0.22 0.38 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.53 3h1b h ARG 126 N 0.28 -0.15 -0.79 1.82 2.43 -0.47 -2.31 114.38 115.19 3h1b h ARG 126 Ca 0.06 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 3h1b h ARG 126 Cb 0.32 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.78 3h1b h ARG 126 CO 0.02 0.25 -0.43 2.35 -1.51 0.00 0.00 179.97 180.64 3h1b h TRP 127 N -0.60 -1.27 -0.75 2.20 7.01 -1.01 -0.32 115.95 121.21 3h1b h TRP 127 Ca -0.02 0.10 0.08 0.00 2.11 0.00 0.00 58.89 61.17 3h1b h TRP 127 Cb 0.47 0.67 -0.10 0.00 -2.10 0.00 0.00 29.16 28.10 3h1b h TRP 127 CO 0.06 -0.40 -0.39 1.28 -2.79 0.00 0.00 178.44 176.20 3h1b n LEU 128 N -5.41 -0.68 0.09 0.65 4.77 -0.35 -1.91 117.00 114.15 3h1b n LEU 128 Ca 0.05 1.32 0.02 0.00 -0.03 0.00 0.00 56.01 57.37 3h1b n LEU 128 Cb 0.35 -0.22 0.36 0.00 -2.33 0.00 0.00 43.42 41.59 3h1b n LEU 128 CO -0.08 -1.11 0.89 -0.07 -1.33 0.00 0.00 177.39 175.69 3h1b h LEU 129 N 0.00 0.29 -0.37 2.23 3.38 -0.53 -0.29 115.31 120.03 3h1b h LEU 129 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h1b h LEU 129 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3h1b h LEU 129 CO -0.72 0.43 0.00 0.47 0.09 0.00 0.00 178.44 178.72 3h1b n ASP 130 N -4.27 0.70 -0.14 -0.43 10.43 -0.36 -2.73 116.55 119.75 3h1b n ASP 130 Ca -0.00 0.62 0.14 0.00 2.57 0.00 0.00 54.79 58.12 3h1b n ASP 130 Cb 0.27 -0.79 0.66 0.00 1.84 0.00 0.00 41.12 43.11 3h1b n ASP 130 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h1b n GLN 131 N -2.21 0.85 0.00 -1.24 1.13 -0.13 -4.92 117.38 110.86 3h1b n GLN 131 Ca 0.04 -0.27 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 3h1b n GLN 131 Cb 0.32 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.17 3h1b n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h1b n GLY 132 N 1.22 0.47 3.62 1.08 0.00 -1.11 -5.05 105.19 105.41 3h1b n GLY 132 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.66 3h1b n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h1b n PHE 133 N -1.68 2.00 -2.49 1.61 3.01 -1.18 -4.98 117.46 113.75 3h1b n PHE 133 Ca 0.00 0.27 -0.38 0.00 1.01 0.00 0.00 57.45 58.35 3h1b n PHE 133 Cb 0.00 -2.55 -0.04 0.00 -0.01 0.00 0.00 39.48 36.88 3h1b n PHE 133 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3h1b s LYS 134 N 4.64 4.30 0.50 -1.08 -0.14 -1.26 -4.47 119.74 122.23 3h1b s LYS 134 Ca 1.00 1.65 0.37 0.00 -1.36 0.00 0.00 55.97 57.63 3h1b s LYS 134 Cb -0.87 -2.77 1.53 0.00 -1.68 0.00 0.00 37.83 34.04 3h1b s LYS 134 CO 0.56 -0.05 1.66 -1.35 -0.76 0.00 0.00 175.35 175.40 3h1b h PRO 135 N 2.94 0.06 0.00 -1.68 0.11 -1.94 0.43 132.00 131.92 3h1b h PRO 135 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3h1b h PRO 135 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h1b h PRO 135 CO 0.64 0.04 -0.11 1.96 -0.21 0.00 0.00 178.00 180.32 3h1b h GLN 136 N 0.07 0.00 -0.41 1.05 7.50 -1.88 -1.31 115.11 120.13 3h1b h GLN 136 Ca 0.78 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.93 3h1b h GLN 136 Cb 2.79 0.00 0.00 0.00 0.05 0.00 0.00 27.48 30.32 3h1b h GLN 136 CO -0.19 0.11 0.00 0.72 -1.50 0.00 0.00 178.83 177.97 3h1b n HIS 137 N -3.26 0.53 -4.10 2.96 8.25 0.15 -4.48 115.22 115.26 3h1b n HIS 137 Ca 0.00 -0.28 -0.23 0.00 -0.26 0.00 0.00 57.72 56.95 3h1b n HIS 137 Cb 0.35 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.42 3h1b n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h1b s LEU 138 N -1.39 3.83 -0.02 2.41 1.43 -0.57 -2.64 118.68 121.74 3h1b s LEU 138 Ca 0.38 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3h1b s LEU 138 Cb 0.22 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 44.06 3h1b s LEU 138 CO 0.30 -0.01 0.17 -0.55 0.23 0.00 0.00 176.35 176.50 3h1b s SER 139 N -3.63 -0.06 -0.10 2.29 0.15 -1.00 -0.33 113.70 111.03 3h1b s SER 139 Ca 0.32 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.97 3h1b s SER 139 Cb -0.09 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3h1b s SER 139 CO 0.25 -0.31 -0.19 -0.63 1.20 0.00 0.00 173.24 173.56 3h1b s ILE 140 N -1.03 2.59 0.03 6.45 1.01 -1.08 -1.49 121.20 127.69 3h1b s ILE 140 Ca -0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3h1b s ILE 140 Cb -0.06 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3h1b s ILE 140 CO 0.02 0.55 0.00 -0.55 0.00 0.00 0.00 174.94 174.96 3h1b s SER 141 N 0.09 0.30 0.00 3.58 0.15 -0.51 -1.56 113.70 115.74 3h1b s SER 141 Ca -0.08 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.92 3h1b s SER 141 Cb -0.15 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3h1b s SER 141 CO 0.05 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.67 3h1b n GLY 142 N 0.97 0.55 3.27 9.45 0.00 -1.13 -0.40 105.19 117.91 3h1b n GLY 142 Ca -0.20 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 3h1b n GLY 142 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h1b s ASP 143 N 0.00 2.43 1.82 1.61 -4.77 -1.09 0.71 116.67 117.38 3h1b s ASP 143 Ca 0.00 -0.70 0.00 0.00 -3.30 0.00 0.00 52.55 48.55 3h1b s ASP 143 Cb 0.00 -0.13 0.00 0.00 -1.09 0.00 0.00 42.92 41.70 3h1b s ASP 143 CO 0.00 0.03 0.00 -0.24 0.70 0.00 0.00 175.17 175.66 3h1b n SER 144 N 1.03 0.00 -0.35 2.11 2.88 -0.28 0.12 113.62 119.13 3h1b n SER 144 Ca -0.19 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.59 3h1b n SER 144 Cb 0.54 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.50 3h1b n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h1b h ALA 145 N -0.82 2.17 0.00 -1.46 0.00 -1.84 0.15 119.26 117.46 3h1b h ALA 145 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3h1b h ALA 145 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3h1b h ALA 145 CO 0.00 -0.65 -0.22 0.78 0.00 0.00 0.00 179.25 179.16 3h1b h GLY 146 N 0.38 0.00 1.88 0.00 0.00 0.11 -1.03 103.07 104.42 3h1b h GLY 146 Ca 0.65 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.78 3h1b h GLY 146 CO -0.39 0.00 -0.92 -1.33 0.00 0.00 0.00 176.54 173.90 3h1b h GLY 147 N 2.09 0.11 1.25 4.60 0.00 -1.04 -2.35 103.07 107.73 3h1b h GLY 147 Ca -0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 47.33 46.87 3h1b h GLY 147 CO 0.03 0.20 -0.86 -1.33 0.00 0.00 0.00 176.54 174.58 3h1b h GLY 148 N 2.26 0.79 0.52 4.60 0.00 -1.35 -3.28 103.07 106.62 3h1b h GLY 148 Ca -0.03 -1.20 0.17 0.00 0.00 0.00 0.00 47.33 46.26 3h1b h GLY 148 CO 0.13 1.07 0.55 -2.00 0.00 0.00 0.00 176.54 176.29 3h1b h LEU 149 N 0.46 0.40 -1.01 3.11 5.85 -1.18 0.57 115.31 123.51 3h1b h LEU 149 Ca -0.07 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.80 3h1b h LEU 149 Cb 1.49 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.39 3h1b h LEU 149 CO 0.17 0.19 0.63 0.58 -0.34 0.00 0.00 178.44 179.68 3h1b h VAL 150 N 0.42 0.92 0.09 1.05 2.07 -1.47 0.22 116.25 119.54 3h1b h VAL 150 Ca 0.41 -0.34 -0.33 0.00 0.82 0.00 0.00 66.70 67.26 3h1b h VAL 150 Cb 0.98 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3h1b h VAL 150 CO -0.14 0.18 -1.79 -0.07 0.02 0.00 0.00 177.57 175.77 3h1b h LEU 151 N 1.00 0.30 -0.44 2.57 -0.00 -1.04 -2.48 115.31 115.21 3h1b h LEU 151 Ca 0.50 -0.58 -0.04 0.00 -0.00 0.00 0.00 57.88 57.75 3h1b h LEU 151 Cb 0.49 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 3h1b h LEU 151 CO -0.27 1.51 0.10 0.00 -0.00 0.00 0.00 178.44 179.79 3h1b h ALA 152 N 0.44 0.58 -1.00 1.53 0.00 -0.86 0.17 119.26 120.12 3h1b h ALA 152 Ca -0.34 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.56 3h1b h ALA 152 Cb 2.03 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 19.54 3h1b h ALA 152 CO 0.11 0.26 0.61 0.28 0.00 0.00 0.00 179.25 180.52 3h1b h VAL 153 N 0.58 0.71 0.19 0.00 2.07 -0.64 -1.54 116.25 117.62 3h1b h VAL 153 Ca 0.14 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3h1b h VAL 153 Cb 0.32 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3h1b h VAL 153 CO 0.00 0.14 -0.09 -0.07 0.02 0.00 0.00 177.57 177.57 3h1b h LEU 154 N 0.77 -0.21 -0.31 2.57 3.38 -0.98 -0.60 115.31 119.92 3h1b h LEU 154 Ca 0.58 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.39 3h1b h LEU 154 Cb 0.89 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 3h1b h LEU 154 CO -0.37 0.32 -0.46 0.58 0.09 0.00 0.00 178.44 178.59 3h1b h VAL 155 N -1.00 0.00 -0.56 1.22 2.07 -0.77 -0.06 116.25 117.16 3h1b h VAL 155 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3h1b h VAL 155 Cb 0.40 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.06 3h1b h VAL 155 CO 0.04 0.00 -0.30 -1.28 0.02 0.00 0.00 177.57 176.05 3h1b h SER 156 N -0.35 -1.04 0.03 0.57 0.87 -1.35 -1.22 113.55 111.07 3h1b h SER 156 Ca 0.06 0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 3h1b h SER 156 Cb 0.50 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3h1b h SER 156 CO -0.48 -0.29 -0.38 0.00 -0.53 0.00 0.00 176.83 175.15 3h1b h ALA 157 N 1.06 0.97 0.40 6.23 0.00 -0.76 -2.80 119.26 124.37 3h1b h ALA 157 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h1b h ALA 157 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h1b h ALA 157 CO -0.65 0.61 -0.23 -0.09 0.00 0.00 0.00 179.25 178.90 3h1b h ARG 158 N 0.38 -0.57 0.00 0.00 2.43 -0.43 0.69 114.38 116.89 3h1b h ARG 158 Ca 0.04 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3h1b h ARG 158 Cb 0.84 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3h1b h ARG 158 CO 0.07 -0.38 0.48 -0.44 -1.51 0.00 0.00 179.97 178.19 3h1b h ASP 159 N -0.59 0.00 -0.02 -3.80 3.32 -1.04 -0.87 116.42 113.42 3h1b h ASP 159 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3h1b h ASP 159 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3h1b h ASP 159 CO 0.06 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.52 3h1b n GLN 160 N -2.53 1.20 -1.29 3.56 6.02 -1.05 -4.99 117.38 118.29 3h1b n GLN 160 Ca -0.01 -1.26 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 3h1b n GLN 160 Cb 0.51 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.50 3h1b n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1b n GLY 161 N 0.87 0.86 3.80 1.08 0.00 -0.33 -5.07 105.19 106.40 3h1b n GLY 161 Ca 0.08 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 3h1b n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1b s LEU 162 N 0.00 4.43 0.46 0.99 1.02 0.19 -5.03 118.68 120.74 3h1b s LEU 162 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 54.13 54.89 3h1b s LEU 162 Cb 0.00 -2.67 -0.07 0.00 0.02 0.00 0.00 46.19 43.47 3h1b s LEU 162 CO 0.00 0.23 1.19 -2.16 0.02 0.00 0.00 176.35 175.62 3h1b s PRO 163 N -0.60 3.75 0.60 1.29 0.04 -1.26 -4.44 135.00 134.37 3h1b s PRO 163 Ca 0.25 1.84 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 3h1b s PRO 163 Cb -0.17 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 3h1b s PRO 163 CO 0.13 -0.58 1.25 -1.64 0.04 0.00 0.00 177.00 176.20 3h1b s MET 164 N -2.65 2.91 0.01 4.56 -1.94 -1.26 -4.97 119.30 115.96 3h1b s MET 164 Ca 0.63 1.94 -0.00 0.00 -1.71 0.00 0.00 55.69 56.55 3h1b s MET 164 Cb -0.30 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.58 3h1b s MET 164 CO 0.37 -1.28 0.01 -0.35 -0.01 0.00 0.00 175.02 173.76 3h1b n PRO 165 N -1.56 0.27 0.18 2.03 -0.04 -1.26 -4.68 135.00 129.93 3h1b n PRO 165 Ca 0.14 -0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 3h1b n PRO 165 Cb 0.49 -0.01 0.15 0.00 -0.04 0.00 0.00 33.50 34.09 3h1b n PRO 165 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1b h ALA 166 N -1.30 0.82 -2.88 0.55 0.00 0.16 -3.44 119.26 113.17 3h1b h ALA 166 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3h1b h ALA 166 Cb 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3h1b h ALA 166 CO 0.00 0.41 0.04 -1.54 0.00 0.00 0.00 179.25 178.16 3h1b s SER 167 N -6.34 -0.25 -0.16 0.00 1.04 -1.24 -4.20 113.70 102.55 3h1b s SER 167 Ca 0.04 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 3h1b s SER 167 Cb 0.07 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.87 3h1b s SER 167 CO 0.70 -1.09 0.27 0.00 0.98 0.00 0.00 173.24 174.11 3h1b s ALA 168 N -3.89 -0.58 -0.75 5.32 0.00 -0.37 -2.62 121.76 118.88 3h1b s ALA 168 Ca 0.10 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 3h1b s ALA 168 Cb -0.01 -1.17 0.19 0.00 0.00 0.00 0.00 23.12 22.13 3h1b s ALA 168 CO -0.01 -0.84 0.59 0.42 0.00 0.00 0.00 175.76 175.92 3h1b s ILE 169 N 2.42 3.95 0.14 0.00 1.09 -0.60 -1.08 121.20 127.13 3h1b s ILE 169 Ca 0.04 -3.43 -0.31 0.00 -1.10 0.00 0.00 60.65 55.85 3h1b s ILE 169 Cb -0.13 -3.52 -0.08 0.00 -1.06 0.00 0.00 42.46 37.67 3h1b s ILE 169 CO -0.10 -0.98 1.30 -2.84 -0.10 0.00 0.00 174.94 172.22 3h1b s PRO 170 N -0.70 4.39 -0.30 2.79 0.02 -1.20 -2.82 135.00 137.17 3h1b s PRO 170 Ca 0.22 1.99 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 3h1b s PRO 170 Cb -0.14 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.16 3h1b s PRO 170 CO -0.08 -0.30 0.07 0.42 -0.33 0.00 0.00 177.00 176.78 3h1b s ILE 171 N 0.59 3.71 -1.37 2.83 1.01 0.22 -2.68 121.20 125.51 3h1b s ILE 171 Ca 0.59 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3h1b s ILE 171 Cb -0.35 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.16 3h1b s ILE 171 CO 0.34 -0.00 0.86 -1.20 0.00 0.00 0.00 174.94 174.93 3h1b n SER 172 N 4.81 -2.78 -4.73 3.58 7.64 -0.04 -1.13 113.62 120.96 3h1b n SER 172 Ca -0.14 -0.76 -0.42 0.00 1.01 0.00 0.00 58.87 58.56 3h1b n SER 172 Cb 0.46 -4.20 -0.00 0.00 -1.01 0.00 0.00 64.21 59.46 3h1b n SER 172 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3h1b n PRO 173 N -4.45 2.38 -3.33 1.43 -0.04 -1.26 -3.52 135.00 126.21 3h1b n PRO 173 Ca -0.17 0.83 -0.46 0.00 -0.04 0.00 0.00 63.50 63.66 3h1b n PRO 173 Cb 0.62 -2.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 3h1b n PRO 173 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3h1b s TRP 174 N -1.11 3.51 -0.74 0.54 -0.00 0.39 -4.64 118.94 116.90 3h1b s TRP 174 Ca 0.54 -1.67 0.10 0.00 -0.00 0.00 0.00 56.10 55.08 3h1b s TRP 174 Cb -0.53 -3.79 0.30 0.00 -0.00 0.00 0.00 33.47 29.45 3h1b s TRP 174 CO 0.63 -1.00 1.25 0.00 -0.00 0.00 0.00 176.95 177.82 3h1b n ALA 175 N 4.59 2.25 -3.46 5.86 0.00 -1.26 -3.92 120.51 124.56 3h1b n ALA 175 Ca 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 53.44 52.01 3h1b n ALA 175 Cb 0.43 -0.42 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 3h1b n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h1b s ASP 176 N -1.12 1.00 0.00 0.00 -1.08 -1.26 -2.33 116.67 111.88 3h1b s ASP 176 Ca 0.23 -0.06 0.29 0.00 -0.52 0.00 0.00 52.55 52.49 3h1b s ASP 176 Cb 0.13 0.61 1.30 0.00 -1.46 0.00 0.00 42.92 43.51 3h1b s ASP 176 CO 0.13 -0.32 1.92 0.23 0.52 0.00 0.00 175.17 177.66 3h1b n MET 177 N 5.33 0.45 -0.00 4.34 2.81 -1.26 -3.91 117.12 124.89 3h1b n MET 177 Ca -0.05 -0.09 0.09 0.00 -1.81 0.00 0.00 57.70 55.83 3h1b n MET 177 Cb 0.50 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.58 3h1b n MET 177 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h1b n THR 178 N -1.19 0.00 -2.86 2.03 -2.24 -1.26 -4.90 114.28 103.86 3h1b n THR 178 Ca 0.13 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 3h1b n THR 178 Cb 0.27 1.36 0.06 0.00 -2.10 0.00 0.00 70.33 69.92 3h1b n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1b n THR 180 N -2.93 0.00 -1.38 0.00 -2.24 -1.26 -4.98 114.28 101.49 3h1b n THR 180 Ca -0.15 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 3h1b n THR 180 Cb 0.60 0.88 0.08 0.00 -2.10 0.00 0.00 70.33 69.80 3h1b n THR 180 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h1b s ASN 181 N -0.97 4.67 0.28 3.42 0.02 -1.26 -4.91 114.94 116.20 3h1b s ASN 181 Ca 0.00 1.85 0.02 0.00 -1.02 0.00 0.00 52.86 53.71 3h1b s ASN 181 Cb 0.00 -2.53 0.58 0.00 0.02 0.00 0.00 41.25 39.32 3h1b s ASN 181 CO 0.00 -1.92 1.82 0.44 0.02 0.00 0.00 177.10 177.46 3h1b h ASP 182 N -0.85 0.90 0.00 -1.22 3.32 -1.97 -2.20 116.42 114.39 3h1b h ASP 182 Ca -0.44 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3h1b h ASP 182 Cb 1.23 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3h1b h ASP 182 CO 0.52 0.45 0.03 -1.54 -1.72 0.00 0.00 179.24 176.99 3h1b n SER 183 N -4.65 0.00 0.14 6.45 3.41 -1.26 -1.94 113.62 115.77 3h1b n SER 183 Ca 0.19 0.37 0.06 0.00 -0.26 0.00 0.00 58.87 59.24 3h1b n SER 183 Cb 0.39 -0.37 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3h1b n SER 183 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3h1b h PHE 184 N 0.00 0.00 0.00 7.33 -1.00 -1.56 -2.58 116.94 119.13 3h1b h PHE 184 Ca 0.00 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.60 3h1b h PHE 184 Cb 0.07 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3h1b h PHE 184 CO 0.00 0.32 -1.47 1.63 -1.61 0.00 0.00 178.31 177.18 3h1b n LYS 185 N -3.08 0.54 -0.20 1.51 5.02 -0.87 -4.46 118.16 116.62 3h1b n LYS 185 Ca 0.01 0.31 -0.07 0.00 -2.02 0.00 0.00 58.31 56.53 3h1b n LYS 185 Cb 0.67 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 34.19 3h1b n LYS 185 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3h1b h THR 186 N -1.00 1.18 -0.18 -0.18 1.35 -1.45 -2.20 112.91 110.42 3h1b h THR 186 Ca -0.27 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3h1b h THR 186 Cb 1.17 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3h1b h THR 186 CO -0.16 0.18 0.00 0.54 -0.25 0.00 0.00 175.52 175.83 3h1b n ARG 187 N -4.63 1.78 0.06 4.72 5.12 -0.97 -4.61 116.66 118.13 3h1b n ARG 187 Ca 0.03 -1.17 -0.21 0.00 -1.93 0.00 0.00 57.85 54.58 3h1b n ARG 187 Cb 0.07 -1.40 -0.13 0.00 -1.16 0.00 0.00 32.46 29.84 3h1b n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h1b h ALA 188 N 4.06 -0.01 0.45 7.54 0.00 -1.50 -2.44 119.26 127.36 3h1b h ALA 188 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3h1b h ALA 188 Cb 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3h1b h ALA 188 CO 0.00 0.55 -0.48 1.49 0.00 0.00 0.00 179.25 180.81 3h1b h GLU 189 N 0.06 -0.90 -0.26 0.00 4.81 -1.82 -3.32 114.58 113.16 3h1b h GLU 189 Ca -0.15 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3h1b h GLU 189 Cb 1.72 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 3h1b h GLU 189 CO 0.19 -0.60 0.36 0.00 -0.73 0.00 0.00 179.01 178.24 3h1b h ALA 190 N -0.94 1.85 -1.18 2.92 0.00 -1.88 -3.42 119.26 116.62 3h1b h ALA 190 Ca -0.06 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.33 3h1b h ALA 190 Cb 0.82 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3h1b h ALA 190 CO -0.07 -0.50 1.21 0.34 0.00 0.00 0.00 179.25 180.23 3h1b s ASP 191 N -5.17 5.99 0.00 0.00 -1.08 -0.93 -4.83 116.67 110.65 3h1b s ASP 191 Ca -0.04 -0.75 0.07 0.00 -0.52 0.00 0.00 52.55 51.30 3h1b s ASP 191 Cb 0.14 -2.56 0.40 0.00 -1.46 0.00 0.00 42.92 39.44 3h1b s ASP 191 CO 0.48 -1.95 0.92 -0.81 0.52 0.00 0.00 175.17 174.33 3h1b n PRO 192 N 9.08 0.59 0.00 4.34 -0.04 -1.26 -4.42 135.00 143.28 3h1b n PRO 192 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3h1b n PRO 192 Cb 0.50 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 3h1b n PRO 192 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3h1b n MET 193 N -0.68 0.00 -2.58 0.54 2.81 -1.26 -4.57 117.12 111.38 3h1b n MET 193 Ca 0.05 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 3h1b n MET 193 Cb 0.02 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.51 3h1b n MET 193 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h1b s VAL 194 N -0.94 4.55 -0.16 2.03 1.01 -1.26 -4.98 120.40 120.64 3h1b s VAL 194 Ca 0.00 1.84 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 3h1b s VAL 194 Cb 0.00 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 3h1b s VAL 194 CO 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 175.10 175.22 3h1b h ALA 195 N 7.34 0.10 -3.00 5.51 0.00 -1.95 -3.44 119.26 123.82 3h1b h ALA 195 Ca -0.31 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3h1b h ALA 195 Cb 1.14 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3h1b h ALA 195 CO 0.89 0.43 0.00 -2.30 0.00 0.00 0.00 179.25 178.27 3h1b n PRO 196 N -4.57 3.73 -0.55 0.00 -0.02 -1.26 -4.99 135.00 127.35 3h1b n PRO 196 Ca -0.16 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.37 3h1b n PRO 196 Cb 0.43 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.11 3h1b n PRO 196 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1b n GLY 197 N 4.67 5.07 0.14 -1.23 0.00 -1.26 -4.79 105.19 107.79 3h1b n GLY 197 Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 3h1b n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h1b h GLY 198 N 0.88 0.32 1.97 -0.02 0.00 -1.97 -1.95 103.07 102.29 3h1b h GLY 198 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3h1b h GLY 198 CO 0.05 -0.06 -0.05 1.19 0.00 0.00 0.00 176.54 177.66 3h1b h ILE 199 N 0.10 1.06 -0.13 2.60 2.10 -1.97 -2.49 117.51 118.78 3h1b h ILE 199 Ca 0.15 -0.26 -0.16 0.00 1.08 0.00 0.00 64.86 65.67 3h1b h ILE 199 Cb 0.20 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 3h1b h ILE 199 CO -0.25 0.08 -0.61 0.78 -1.08 0.00 0.00 178.15 177.07 3h1b h ASN 200 N 0.04 0.51 0.84 2.19 2.35 -1.80 -2.76 115.58 116.96 3h1b h ASN 200 Ca 0.01 -0.29 -0.24 0.00 -0.55 0.00 0.00 56.30 55.23 3h1b h ASN 200 Cb 0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3h1b h ASN 200 CO 0.01 0.99 -1.20 0.50 -1.65 0.00 0.00 177.43 176.08 3h1b h LYS 201 N 0.33 0.03 -0.47 0.81 1.63 -1.34 -2.66 116.57 114.90 3h1b h LYS 201 Ca -0.01 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 3h1b h LYS 201 Cb 1.15 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.74 3h1b h LYS 201 CO 0.11 0.90 0.15 0.52 -3.45 0.00 0.00 179.45 177.68 3h1b h MET 202 N 0.01 0.31 0.02 1.90 2.86 -1.46 -0.72 114.93 117.85 3h1b h MET 202 Ca -0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3h1b h MET 202 Cb 1.85 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.44 3h1b h MET 202 CO 0.12 0.20 -0.01 0.00 1.06 0.00 0.00 176.91 178.29 3h1b h ALA 203 N 1.32 -0.03 -0.88 6.32 0.00 -1.22 -0.21 119.26 124.57 3h1b h ALA 203 Ca 0.23 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3h1b h ALA 203 Cb 0.24 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 3h1b h ALA 203 CO -0.24 -0.48 -0.52 0.00 0.00 0.00 0.00 179.25 178.00 3h1b n ALA 204 N -2.14 -0.56 -0.11 0.00 0.00 -1.03 0.78 120.51 117.45 3h1b n ALA 204 Ca -0.07 0.75 0.01 0.00 0.00 0.00 0.00 53.44 54.13 3h1b n ALA 204 Cb 0.07 -0.12 0.31 0.00 0.00 0.00 0.00 19.45 19.71 3h1b n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1b h ARG 205 N 0.00 0.78 0.00 0.00 3.08 -0.80 -1.96 114.38 115.47 3h1b h ARG 205 Ca 0.14 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3h1b h ARG 205 Cb 0.36 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h1b h ARG 205 CO -0.83 0.55 -0.31 -0.92 -1.07 0.00 0.00 179.97 177.39 3h1b h TYR 206 N 0.79 0.00 -0.86 3.04 3.20 -0.11 -3.37 116.97 119.66 3h1b h TYR 206 Ca 0.21 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.30 3h1b h TYR 206 Cb -0.02 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.12 3h1b h TYR 206 CO 0.00 0.02 0.30 -0.07 -1.64 0.00 0.00 178.16 176.76 3h1b h LEU 207 N -1.00 0.15 -2.07 2.82 3.38 0.23 -1.34 115.31 117.47 3h1b h LEU 207 Ca -0.00 0.17 -0.54 0.00 0.09 0.00 0.00 57.88 57.60 3h1b h LEU 207 Cb 0.32 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3h1b h LEU 207 CO -0.00 -0.07 -0.92 -3.20 0.09 0.00 0.00 178.44 174.34 3h1b n ASN 208 N -5.14 -0.20 0.00 -0.43 5.15 -0.74 -1.74 115.26 112.16 3h1b n ASN 208 Ca 0.21 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 3h1b n ASN 208 Cb 0.64 -2.58 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 3h1b n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h1b n GLY 209 N -2.16 0.59 3.84 8.20 0.00 -1.26 -5.06 105.19 109.33 3h1b n GLY 209 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3h1b n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1b s ALA 210 N -2.25 2.13 -0.54 4.61 0.00 -0.71 -4.92 121.76 120.08 3h1b s ALA 210 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.05 3h1b s ALA 210 Cb 0.00 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.17 3h1b s ALA 210 CO 0.00 -2.08 1.11 0.34 0.00 0.00 0.00 175.76 175.12 3h1b s ASP 211 N -4.31 6.48 0.66 0.00 2.15 -1.26 -4.86 116.67 115.53 3h1b s ASP 211 Ca 0.64 0.12 0.05 0.00 0.43 0.00 0.00 52.55 53.79 3h1b s ASP 211 Cb -0.12 -2.52 0.27 0.00 -0.30 0.00 0.00 42.92 40.25 3h1b s ASP 211 CO 0.52 -1.34 1.14 0.00 -0.17 0.00 0.00 175.17 175.32 3h1b h ALA 212 N 9.38 1.96 -0.45 3.66 0.00 -1.94 -0.42 119.26 131.44 3h1b h ALA 212 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h1b h ALA 212 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h1b h ALA 212 CO 1.14 -0.95 0.00 1.63 0.00 0.00 0.00 179.25 181.07 3h1b n LYS 213 N -2.60 3.54 -2.29 0.00 5.02 -1.26 -4.07 118.16 116.50 3h1b n LYS 213 Ca 0.01 -2.79 -0.42 0.00 -2.02 0.00 0.00 58.31 53.09 3h1b n LYS 213 Cb 0.94 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 3h1b n LYS 213 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3h1b s HIS 214 N -2.21 3.34 0.66 2.13 2.46 -0.17 -4.80 115.29 116.69 3h1b s HIS 214 Ca 0.44 1.13 0.41 0.00 0.47 0.00 0.00 55.06 57.51 3h1b s HIS 214 Cb 0.32 -3.55 2.25 0.00 -0.13 0.00 0.00 32.58 31.46 3h1b s HIS 214 CO 0.16 -1.84 2.30 -1.00 -2.47 0.00 0.00 174.74 171.89 3h1b h PRO 215 N 6.69 0.00 0.00 2.88 0.13 -1.87 0.29 132.00 140.12 3h1b h PRO 215 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 3h1b h PRO 215 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3h1b h PRO 215 CO 0.83 0.00 -1.39 0.66 -0.23 0.00 0.00 178.00 177.87 3h1b n TYR 216 N -3.15 0.71 -0.01 1.56 0.53 -1.26 -2.73 117.16 112.81 3h1b n TYR 216 Ca -0.03 0.21 -0.21 0.00 -1.02 0.00 0.00 57.90 56.86 3h1b n TYR 216 Cb 0.12 -0.89 -0.14 0.00 -1.03 0.00 0.00 39.34 37.41 3h1b n TYR 216 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3h1b h ALA 217 N 1.83 0.15 -2.89 -0.72 0.00 -1.45 -3.43 119.26 112.74 3h1b h ALA 217 Ca -0.06 -1.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.22 3h1b h ALA 217 Cb 1.19 0.43 -0.40 0.00 0.00 0.00 0.00 17.79 19.01 3h1b h ALA 217 CO 0.01 0.71 -0.76 -1.12 0.00 0.00 0.00 179.25 178.09 3h1b s SER 218 N -6.94 3.45 0.00 0.00 0.01 0.87 -4.64 113.70 106.45 3h1b s SER 218 Ca -0.20 -2.81 0.19 0.00 1.31 0.00 0.00 55.95 54.44 3h1b s SER 218 Cb 0.04 -0.99 0.88 0.00 0.21 0.00 0.00 66.02 66.15 3h1b s SER 218 CO 0.75 -0.23 1.61 -2.65 0.41 0.00 0.00 173.24 173.12 3h1b n PRO 219 N 3.29 0.11 0.00 12.44 -0.02 -1.01 -2.03 135.00 147.78 3h1b n PRO 219 Ca 0.13 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3h1b n PRO 219 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3h1b n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3h1b n ASN 220 N -1.42 0.00 0.00 2.55 4.13 -0.98 -2.15 115.26 117.39 3h1b n ASN 220 Ca 0.06 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.70 3h1b n ASN 220 Cb 0.20 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 3h1b n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h1b n PHE 221 N -1.36 0.00 -2.39 3.10 3.01 -0.86 -4.86 117.46 114.10 3h1b n PHE 221 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 3h1b n PHE 221 Cb 0.05 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.53 3h1b n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1b s ALA 222 N -0.02 3.30 -0.15 4.37 0.00 -0.92 -4.80 121.76 123.55 3h1b s ALA 222 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 3h1b s ALA 222 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 3h1b s ALA 222 CO 0.00 -0.52 0.69 1.21 0.00 0.00 0.00 175.76 177.14 3h1b s ASN 223 N -4.16 6.84 0.00 0.00 3.04 -1.26 -4.93 114.94 114.47 3h1b s ASN 223 Ca 0.51 1.02 0.13 0.00 0.04 0.00 0.00 52.86 54.56 3h1b s ASN 223 Cb -0.11 -2.39 0.23 0.00 -1.54 0.00 0.00 41.25 37.44 3h1b s ASN 223 CO 0.47 -0.24 1.11 0.18 -3.04 0.00 0.00 177.10 175.58 3h1b n LEU 224 N 4.64 2.59 -4.68 3.21 4.77 -1.26 -4.92 117.00 121.37 3h1b n LEU 224 Ca -0.00 -1.45 -0.50 0.00 -0.03 0.00 0.00 56.01 54.03 3h1b n LEU 224 Cb 0.50 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3h1b n LEU 224 CO 0.46 0.57 1.33 1.17 -1.33 0.00 0.00 177.39 179.58 3h1b n LYS 225 N 0.77 1.82 -0.06 3.23 4.81 -1.26 -2.50 118.16 124.97 3h1b n LYS 225 Ca 0.11 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 3h1b n LYS 225 Cb 0.40 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.02 3h1b n LYS 225 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h1b n GLY 226 N 3.94 0.48 3.79 3.14 0.00 -1.26 -5.07 105.19 110.22 3h1b n GLY 226 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3h1b n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1b s LEU 227 N 0.00 3.17 0.00 0.99 1.43 -1.04 -4.91 118.68 118.33 3h1b s LEU 227 Ca 0.00 1.75 -0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3h1b s LEU 227 Cb 0.00 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.82 3h1b s LEU 227 CO 0.00 -1.63 0.75 -0.81 0.23 0.00 0.00 176.35 174.90 3h1b n PRO 228 N -3.04 -0.13 -1.61 1.29 -0.04 -1.26 -4.79 135.00 125.41 3h1b n PRO 228 Ca 0.08 -1.79 -0.55 0.00 -0.04 0.00 0.00 63.50 61.20 3h1b n PRO 228 Cb 0.53 -0.58 -0.07 0.00 -0.04 0.00 0.00 33.50 33.34 3h1b n PRO 228 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3h1b n PRO 229 N -2.45 0.91 -3.86 0.54 -0.02 -1.26 -4.70 135.00 124.16 3h1b n PRO 229 Ca 0.12 0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 3h1b n PRO 229 Cb 0.41 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 3h1b n PRO 229 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h1b s LEU 230 N 1.12 4.24 -0.13 2.45 1.02 -0.28 -1.23 118.68 125.86 3h1b s LEU 230 Ca 0.89 0.34 0.01 0.00 0.02 0.00 0.00 54.13 55.39 3h1b s LEU 230 Cb -1.05 -2.06 -0.00 0.00 0.02 0.00 0.00 46.19 43.10 3h1b s LEU 230 CO 0.54 0.30 -0.18 -0.22 0.02 0.00 0.00 176.35 176.81 3h1b s LEU 231 N -0.40 2.38 -0.16 1.79 2.96 -0.24 -2.03 118.68 122.98 3h1b s LEU 231 Ca 0.11 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3h1b s LEU 231 Cb -0.12 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.09 3h1b s LEU 231 CO 0.01 0.12 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.43 3h1b s ILE 232 N 0.61 1.37 -0.05 6.68 1.01 -0.87 -3.21 121.20 126.75 3h1b s ILE 232 Ca -0.10 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 3h1b s ILE 232 Cb -0.16 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 3h1b s ILE 232 CO 0.03 0.30 0.41 -1.00 0.00 0.00 0.00 174.94 174.68 3h1b s HIS 233 N 1.54 3.64 0.16 3.97 3.76 -1.09 -1.24 115.29 126.03 3h1b s HIS 233 Ca 0.03 0.91 -0.01 0.00 -0.15 0.00 0.00 55.06 55.84 3h1b s HIS 233 Cb -0.14 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 3h1b s HIS 233 CO -0.09 0.46 0.09 0.54 -0.85 0.00 0.00 174.74 174.90 3h1b s VAL 234 N -0.41 0.07 0.12 -0.90 0.11 -1.17 -0.86 120.40 117.34 3h1b s VAL 234 Ca 0.23 -1.91 0.03 0.00 -2.93 0.00 0.00 61.98 57.40 3h1b s VAL 234 Cb -0.16 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 3h1b s VAL 234 CO 0.11 -0.30 0.16 -0.83 -3.33 0.00 0.00 175.10 170.91 3h1b s GLY 235 N -3.08 1.88 0.17 6.54 0.00 -1.26 -2.74 107.32 108.82 3h1b s GLY 235 Ca 0.29 -1.06 -0.19 0.00 0.00 0.00 0.00 44.72 43.75 3h1b s GLY 235 CO 0.05 -1.06 1.63 -0.09 0.00 0.00 0.00 173.10 173.64 3h1b h ARG 236 N 2.73 -0.13 -2.03 2.90 9.65 -1.24 -3.24 114.38 123.01 3h1b h ARG 236 Ca -0.47 0.01 -0.59 0.00 -1.10 0.00 0.00 59.98 57.82 3h1b h ARG 236 Cb 1.18 0.03 -0.20 0.00 -1.39 0.00 0.00 29.97 29.59 3h1b h ARG 236 CO 0.67 -0.09 0.69 -0.25 2.80 0.00 0.00 179.97 183.79 3h1b n ASP 237 N -5.38 6.86 -4.15 -3.80 8.00 -0.99 -4.83 116.55 112.26 3h1b n ASP 237 Ca 0.02 -3.39 -0.11 0.00 0.71 0.00 0.00 54.79 52.02 3h1b n ASP 237 Cb 0.29 -1.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 3h1b n ASP 237 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3h1b s GLU 238 N -2.41 0.77 0.32 -1.24 -1.05 -1.22 -3.52 118.70 110.35 3h1b s GLU 238 Ca 0.56 -1.22 0.25 0.00 -0.15 0.00 0.00 54.97 54.41 3h1b s GLU 238 Cb 0.39 -0.22 0.67 0.00 -0.44 0.00 0.00 34.13 34.52 3h1b s GLU 238 CO -0.27 -0.00 1.72 -0.24 0.95 0.00 0.00 175.26 177.42 3h1b h VAL 239 N 3.27 0.00 -0.52 1.83 3.04 -1.80 -3.04 116.25 119.03 3h1b h VAL 239 Ca -0.35 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 3h1b h VAL 239 Cb 1.17 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 3h1b h VAL 239 CO 0.60 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.34 3h1b n LEU 240 N -2.62 2.82 -0.28 3.16 4.77 -1.26 -4.20 117.00 119.38 3h1b n LEU 240 Ca 0.05 -1.40 0.07 0.00 -0.03 0.00 0.00 56.01 54.69 3h1b n LEU 240 Cb 0.45 -0.35 0.21 0.00 -2.33 0.00 0.00 43.42 41.41 3h1b n LEU 240 CO 0.31 0.70 1.06 0.25 -1.33 0.00 0.00 177.39 178.38 3h1b h LEU 241 N 3.10 0.40 -0.31 2.23 6.46 -1.79 -2.02 115.31 123.38 3h1b h LEU 241 Ca 0.00 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 3h1b h LEU 241 Cb 0.71 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 3h1b h LEU 241 CO 0.00 0.15 0.00 0.44 -0.62 0.00 0.00 178.44 178.41 3h1b h ASP 242 N 0.52 0.53 -0.68 1.25 3.32 -1.87 -2.37 116.42 117.12 3h1b h ASP 242 Ca 0.45 -0.31 0.17 0.00 0.02 0.00 0.00 57.03 57.36 3h1b h ASP 242 Cb 0.67 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 39.95 3h1b h ASP 242 CO -0.39 0.71 -0.06 0.47 -1.72 0.00 0.00 179.24 178.24 3h1b n ASP 243 N -4.56 -0.15 -0.04 6.45 10.43 -0.76 -0.51 116.55 127.40 3h1b n ASP 243 Ca -0.03 1.16 -0.15 0.00 2.57 0.00 0.00 54.79 58.35 3h1b n ASP 243 Cb 0.26 -0.39 -0.08 0.00 1.84 0.00 0.00 41.12 42.75 3h1b n ASP 243 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3h1b h SER 244 N 0.00 0.48 0.19 -2.24 0.02 -1.56 -0.62 113.55 109.83 3h1b h SER 244 Ca 0.38 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3h1b h SER 244 Cb 0.70 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3h1b h SER 244 CO -0.67 0.98 -0.09 0.40 -1.14 0.00 0.00 176.83 176.31 3h1b h ILE 245 N 0.00 0.86 -0.01 3.27 2.04 -0.27 -0.53 117.51 122.87 3h1b h ILE 245 Ca -0.01 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3h1b h ILE 245 Cb 0.92 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 3h1b h ILE 245 CO 0.07 0.06 -0.48 0.11 0.00 0.00 0.00 178.15 177.90 3h1b h LYS 246 N -0.38 -0.57 -0.47 2.37 1.57 -1.03 -1.53 116.57 116.53 3h1b h LYS 246 Ca -0.03 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3h1b h LYS 246 Cb 0.29 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 3h1b h LYS 246 CO 0.04 -0.38 -0.05 1.25 -0.57 0.00 0.00 179.45 179.74 3h1b h LEU 247 N -0.59 -0.31 -0.20 2.94 5.85 -1.15 -1.27 115.31 120.58 3h1b h LEU 247 Ca 0.01 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3h1b h LEU 247 Cb 0.64 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 3h1b h LEU 247 CO -0.33 -0.11 -0.39 -0.78 -0.34 0.00 0.00 178.44 176.50 3h1b h ASP 248 N 0.06 -1.24 -0.89 1.25 3.58 -0.62 0.43 116.42 118.98 3h1b h ASP 248 Ca 0.23 0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.91 3h1b h ASP 248 Cb 0.36 0.52 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 3h1b h ASP 248 CO -0.44 -0.39 0.58 0.00 -2.88 0.00 0.00 179.24 176.11 3h1b h ALA 249 N 0.30 1.49 0.12 -0.78 0.00 -0.87 -0.47 119.26 119.06 3h1b h ALA 249 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h1b h ALA 249 Cb 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h1b h ALA 249 CO -0.43 0.40 -0.06 -0.22 0.00 0.00 0.00 179.25 178.94 3h1b h LYS 250 N 1.05 -0.16 -0.10 0.00 1.63 -0.93 -0.15 116.57 117.92 3h1b h LYS 250 Ca 0.37 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.20 3h1b h LYS 250 Cb 0.12 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 3h1b h LYS 250 CO -0.13 -0.01 -0.44 0.00 -3.45 0.00 0.00 179.45 175.42 3h1b h ALA 251 N 0.60 -0.82 -0.63 5.00 0.00 -0.37 0.11 119.26 123.17 3h1b h ALA 251 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.97 3h1b h ALA 251 Cb 0.21 0.93 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 3h1b h ALA 251 CO 0.03 -0.97 0.09 0.87 0.00 0.00 0.00 179.25 179.26 3h1b h LYS 252 N -0.48 0.20 -0.54 0.00 1.57 -1.15 0.35 116.57 116.53 3h1b h LYS 252 Ca 0.02 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3h1b h LYS 252 Cb 0.56 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3h1b h LYS 252 CO -0.35 0.13 -0.00 0.00 -0.57 0.00 0.00 179.45 178.66 3h1b h ALA 253 N 1.53 0.51 -0.00 3.86 0.00 -0.86 -2.99 119.26 121.31 3h1b h ALA 253 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3h1b h ALA 253 Cb 0.53 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h1b h ALA 253 CO -0.47 -0.39 -0.02 -0.25 0.00 0.00 0.00 179.25 178.12 3h1b n ASP 254 N -5.25 0.03 0.00 0.00 8.00 0.10 -4.89 116.55 114.55 3h1b n ASP 254 Ca 0.06 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3h1b n ASP 254 Cb 0.29 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3h1b n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1b n GLY 255 N 1.42 0.96 3.74 0.44 0.00 -0.04 -4.07 105.19 107.63 3h1b n GLY 255 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3h1b n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1b s VAL 256 N -2.00 4.04 -0.42 1.61 1.01 -0.39 -4.88 120.40 119.37 3h1b s VAL 256 Ca 0.00 1.80 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 3h1b s VAL 256 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3h1b s VAL 256 CO 0.00 0.32 1.96 -0.54 0.00 0.00 0.00 175.10 176.84 3h1b s LYS 257 N -0.45 2.92 -0.03 2.72 3.01 -1.26 -3.72 119.74 122.95 3h1b s LYS 257 Ca 0.47 1.27 0.00 0.00 -1.01 0.00 0.00 55.97 56.70 3h1b s LYS 257 Cb -0.27 -4.33 0.03 0.00 -1.01 0.00 0.00 37.83 32.24 3h1b s LYS 257 CO 0.33 -2.35 0.02 0.45 0.51 0.00 0.00 175.35 174.32 3h1b s SER 258 N 7.84 0.28 -0.29 2.83 0.15 -1.26 -1.13 113.70 122.13 3h1b s SER 258 Ca 0.81 0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.51 3h1b s SER 258 Cb -0.20 -0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.04 3h1b s SER 258 CO 0.29 -0.12 -0.05 -0.89 1.20 0.00 0.00 173.24 173.66 3h1b s THR 259 N 1.12 2.24 -0.21 6.45 2.01 -0.86 -4.99 115.64 121.39 3h1b s THR 259 Ca -0.08 -1.86 -0.16 0.00 0.31 0.00 0.00 61.69 59.89 3h1b s THR 259 Cb -0.13 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3h1b s THR 259 CO -0.02 -0.22 0.43 -0.22 -0.69 0.00 0.00 174.62 173.90 3h1b s LEU 260 N 1.04 4.13 -0.28 4.42 0.20 -1.26 -2.05 118.68 124.88 3h1b s LEU 260 Ca -0.03 0.52 -0.09 0.00 0.69 0.00 0.00 54.13 55.22 3h1b s LEU 260 Cb -0.20 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.99 3h1b s LEU 260 CO -0.06 -0.13 0.13 -1.61 -0.29 0.00 0.00 176.35 174.39 3h1b s GLU 261 N 1.55 3.64 -0.29 1.98 2.02 -0.37 -4.98 118.70 122.24 3h1b s GLU 261 Ca 0.20 -0.51 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 3h1b s GLU 261 Cb -0.15 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 3h1b s GLU 261 CO 0.09 -0.26 0.16 0.42 0.02 0.00 0.00 175.26 175.69 3h1b s ILE 262 N 1.65 4.81 -0.34 -1.63 1.01 -1.26 -3.06 121.20 122.39 3h1b s ILE 262 Ca 0.06 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.35 3h1b s ILE 262 Cb -0.16 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 3h1b s ILE 262 CO 0.06 0.16 0.48 0.26 0.00 0.00 0.00 174.94 175.90 3h1b s TRP 263 N 1.67 3.19 0.59 3.97 0.52 -1.11 -4.82 118.94 122.96 3h1b s TRP 263 Ca 0.06 0.19 -0.18 0.00 0.02 0.00 0.00 56.10 56.19 3h1b s TRP 263 Cb -0.16 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 3h1b s TRP 263 CO 0.07 -0.48 1.13 -0.51 0.02 0.00 0.00 176.95 177.18 3h1b s ASP 264 N 1.73 5.42 0.00 2.95 -0.00 -1.26 -1.33 116.67 124.18 3h1b s ASP 264 Ca 0.17 2.13 0.00 0.00 -0.00 0.00 0.00 52.55 54.86 3h1b s ASP 264 Cb -0.16 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.19 3h1b s ASP 264 CO 0.12 -1.42 0.00 0.47 -0.00 0.00 0.00 175.17 174.34 3h1b n ASP 265 N -1.76 -5.41 -4.94 0.27 9.92 -1.26 -4.86 116.55 108.51 3h1b n ASP 265 Ca 0.11 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.14 3h1b n ASP 265 Cb 0.51 -3.32 -0.03 0.00 -0.64 0.00 0.00 41.12 37.64 3h1b n ASP 265 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3h1b s MET 266 N -1.86 3.36 0.55 -1.24 -1.94 -1.15 -4.83 119.30 112.19 3h1b s MET 266 Ca 0.00 -0.73 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 3h1b s MET 266 Cb 0.00 -2.87 0.06 0.00 2.01 0.00 0.00 34.83 34.03 3h1b s MET 266 CO 0.00 0.47 0.62 0.96 -0.01 0.00 0.00 175.02 177.05 3h1b s ILE 267 N -1.89 1.99 -0.16 2.53 -4.36 -1.26 -2.34 121.20 115.72 3h1b s ILE 267 Ca 0.34 -1.21 -0.41 0.00 -0.26 0.00 0.00 60.65 59.12 3h1b s ILE 267 Cb -0.10 -2.20 -0.18 0.00 1.25 0.00 0.00 42.46 41.23 3h1b s ILE 267 CO 0.28 0.00 1.45 1.57 0.24 0.00 0.00 174.94 178.48 3h1b n HIS 268 N -2.02 1.52 -3.78 1.37 -0.00 -1.26 -3.35 115.22 107.70 3h1b n HIS 268 Ca 0.08 0.81 -0.29 0.00 -0.00 0.00 0.00 57.72 58.33 3h1b n HIS 268 Cb 0.63 -2.29 0.01 0.00 -0.00 0.00 0.00 29.99 28.33 3h1b n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h1b n VAL 269 N 3.18 -2.41 0.16 3.57 0.31 -1.26 -4.73 118.33 117.14 3h1b n VAL 269 Ca 0.24 -0.22 0.03 0.00 -0.01 0.00 0.00 64.34 64.38 3h1b n VAL 269 Cb 0.10 -2.11 0.24 0.00 -0.91 0.00 0.00 33.84 31.16 3h1b n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3h1b h TRP 270 N -0.77 0.00 -1.07 3.52 0.09 -1.97 -2.68 115.95 113.07 3h1b h TRP 270 Ca -0.56 0.00 0.35 0.00 0.09 0.00 0.00 58.89 58.78 3h1b h TRP 270 Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 29.16 30.31 3h1b h TRP 270 CO 0.24 0.48 0.70 0.72 0.09 0.00 0.00 178.44 180.67 3h1b n HIS 271 N -3.56 0.41 1.34 0.12 8.25 -1.26 -1.88 115.22 118.64 3h1b n HIS 271 Ca -0.00 0.41 0.14 0.00 -0.26 0.00 0.00 57.72 58.01 3h1b n HIS 271 Cb 0.58 -0.80 0.63 0.00 1.12 0.00 0.00 29.99 31.51 3h1b n HIS 271 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h1b n ALA 272 N -2.57 2.70 -1.22 -1.41 0.00 -1.01 -2.34 120.51 114.66 3h1b n ALA 272 Ca 0.29 -0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.55 3h1b n ALA 272 Cb 1.18 -1.37 0.21 0.00 0.00 0.00 0.00 19.45 19.47 3h1b n ALA 272 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h1b n PHE 273 N -1.14 0.80 0.06 0.00 3.01 -0.79 -4.71 117.46 114.70 3h1b n PHE 273 Ca 0.13 -1.21 0.21 0.00 1.01 0.00 0.00 57.45 57.58 3h1b n PHE 273 Cb 0.28 -0.36 0.74 0.00 -0.01 0.00 0.00 39.48 40.13 3h1b n PHE 273 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 3h1b h HIS 274 N 1.16 0.00 0.00 1.38 2.07 -1.63 -2.30 115.15 115.83 3h1b h HIS 274 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 3h1b h HIS 274 Cb 1.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.42 3h1b h HIS 274 CO 0.64 0.00 0.00 -1.35 -3.07 0.00 0.00 177.93 174.15 3h1b h PRO 275 N 0.00 0.00 0.00 5.12 0.11 -1.88 -3.14 132.00 132.21 3h1b h PRO 275 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3h1b h PRO 275 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h1b h PRO 275 CO -0.00 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 3h1b n MET 276 N -2.85 0.91 -3.64 1.05 0.00 -0.92 -5.00 117.12 106.67 3h1b n MET 276 Ca -0.00 -1.29 -0.27 0.00 0.00 0.00 0.00 57.70 56.14 3h1b n MET 276 Cb 0.20 -0.82 -0.16 0.00 0.00 0.00 0.00 33.22 32.45 3h1b n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3h1b s LEU 277 N -0.81 0.74 0.27 3.17 2.96 -0.91 -4.85 118.68 119.24 3h1b s LEU 277 Ca 0.07 -0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 53.10 3h1b s LEU 277 Cb 0.06 -0.40 0.55 0.00 0.50 0.00 0.00 46.19 46.90 3h1b s LEU 277 CO 0.01 -0.36 1.77 -0.65 -1.32 0.00 0.00 176.35 175.80 3h1b h PRO 278 N 8.35 0.65 -0.97 0.98 0.11 -1.90 -2.09 132.00 137.14 3h1b h PRO 278 Ca -0.16 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 66.06 3h1b h PRO 278 Cb 1.10 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 31.97 3h1b h PRO 278 CO 0.34 0.43 0.58 0.93 -0.21 0.00 0.00 178.00 180.08 3h1b h GLU 279 N 0.67 0.81 -0.48 1.05 3.07 -1.96 0.55 114.58 118.29 3h1b h GLU 279 Ca 0.48 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 3h1b h GLU 279 Cb 0.66 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3h1b h GLU 279 CO -0.35 0.53 0.24 0.78 -1.40 0.00 0.00 179.01 178.81 3h1b h GLY 280 N 0.83 0.74 0.84 -3.84 0.00 -1.60 0.11 103.07 100.15 3h1b h GLY 280 Ca 0.52 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 3h1b h GLY 280 CO -0.33 0.35 0.01 0.50 0.00 0.00 0.00 176.54 177.07 3h1b h LYS 281 N 0.64 0.40 -0.58 4.80 1.57 -0.94 -1.18 116.57 121.27 3h1b h LYS 281 Ca 0.17 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3h1b h LYS 281 Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3h1b h LYS 281 CO -0.02 0.58 0.37 1.96 -0.57 0.00 0.00 179.45 181.76 3h1b h GLN 282 N 0.17 0.71 0.00 3.15 4.20 -0.70 -1.76 115.11 120.88 3h1b h GLN 282 Ca 0.07 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3h1b h GLN 282 Cb 0.39 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3h1b h GLN 282 CO 0.01 0.47 -0.53 0.00 -0.67 0.00 0.00 178.83 178.11 3h1b h ALA 283 N 1.23 1.05 -0.14 3.87 0.00 -0.67 -1.97 119.26 122.65 3h1b h ALA 283 Ca 0.22 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3h1b h ALA 283 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h1b h ALA 283 CO -0.08 0.66 -0.48 0.82 0.00 0.00 0.00 179.25 180.18 3h1b h ILE 284 N 0.00 1.35 -0.78 0.00 2.04 -0.92 -2.25 117.51 116.94 3h1b h ILE 284 Ca -0.01 -1.76 0.19 0.00 1.00 0.00 0.00 64.86 64.29 3h1b h ILE 284 Cb 0.98 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 39.08 3h1b h ILE 284 CO 0.07 0.54 0.54 0.58 0.00 0.00 0.00 178.15 179.87 3h1b h VAL 285 N 0.20 0.69 0.15 1.67 2.07 -1.02 -2.25 116.25 117.75 3h1b h VAL 285 Ca -0.02 -0.08 -0.36 0.00 0.82 0.00 0.00 66.70 67.06 3h1b h VAL 285 Cb 1.10 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3h1b h VAL 285 CO 0.10 0.04 -1.89 -0.09 0.02 0.00 0.00 177.57 175.76 3h1b h ARG 286 N 0.22 0.32 -0.59 1.57 9.65 -1.31 -2.39 114.38 121.86 3h1b h ARG 286 Ca 0.39 -0.55 0.12 0.00 -1.10 0.00 0.00 59.98 58.84 3h1b h ARG 286 Cb 1.18 0.20 -0.11 0.00 -1.39 0.00 0.00 29.97 29.85 3h1b h ARG 286 CO -0.08 1.26 -0.21 0.28 2.80 0.00 0.00 179.97 184.02 3h1b h VAL 287 N 0.08 0.32 -0.08 0.20 2.07 -0.84 -2.16 116.25 115.84 3h1b h VAL 287 Ca -0.39 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 3h1b h VAL 287 Cb 2.06 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3h1b h VAL 287 CO 0.12 0.00 -0.60 1.23 0.02 0.00 0.00 177.57 178.34 3h1b h GLY 288 N -0.06 0.29 0.89 2.17 0.00 -1.47 -1.73 103.07 103.17 3h1b h GLY 288 Ca 0.27 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3h1b h GLY 288 CO -0.63 0.32 -0.02 0.83 0.00 0.00 0.00 176.54 177.03 3h1b h GLU 289 N 0.20 0.57 -0.45 4.80 5.08 -1.03 -0.72 114.58 123.02 3h1b h GLU 289 Ca -0.01 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 3h1b h GLU 289 Cb 1.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3h1b h GLU 289 CO 0.09 0.72 -0.17 0.35 -1.00 0.00 0.00 179.01 179.01 3h1b h PHE 290 N 0.35 0.98 -0.53 4.33 3.04 -1.36 0.22 116.94 123.97 3h1b h PHE 290 Ca 0.09 -0.21 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 3h1b h PHE 290 Cb 0.48 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 3h1b h PHE 290 CO 0.04 0.97 0.32 0.52 -2.02 0.00 0.00 178.31 178.14 3h1b h MET 291 N 0.77 0.71 -0.09 1.11 2.86 -1.17 0.96 114.93 120.08 3h1b h MET 291 Ca 0.11 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.46 3h1b h MET 291 Cb 0.70 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.22 3h1b h MET 291 CO 0.05 0.50 -0.87 0.00 1.06 0.00 0.00 176.91 177.65 3h1b h ARG 292 N 0.73 0.72 -0.34 1.72 3.08 -0.47 -1.52 114.38 118.30 3h1b h ARG 292 Ca 0.19 -0.65 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 3h1b h ARG 292 Cb -0.04 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3h1b h ARG 292 CO -0.04 1.25 0.11 0.93 -1.07 0.00 0.00 179.97 181.15 3h1b h GLU 293 N 0.46 0.53 -0.43 0.04 5.08 -0.32 -1.91 114.58 118.03 3h1b h GLU 293 Ca -0.08 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3h1b h GLU 293 Cb 1.50 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 3h1b h GLU 293 CO 0.17 0.56 0.28 1.96 -1.00 0.00 0.00 179.01 180.98 3h1b h GLN 294 N 0.40 0.46 -0.02 2.33 1.08 -0.82 -2.62 115.11 115.91 3h1b h GLN 294 Ca 0.11 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.12 3h1b h GLN 294 Cb 0.25 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3h1b h GLN 294 CO -0.00 0.31 -0.71 -1.49 -0.95 0.00 0.00 178.83 175.99 3h1b h TRP 295 N 0.48 0.18 0.00 2.96 6.55 -0.78 -3.20 115.95 122.14 3h1b h TRP 295 Ca 0.17 -0.08 -0.14 0.00 0.95 0.00 0.00 58.89 59.79 3h1b h TRP 295 Cb 0.09 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.34 3h1b h TRP 295 CO -0.00 0.79 -0.68 0.00 -1.05 0.00 0.00 178.44 177.51 3h1b h ALA 296 N 1.18 0.77 0.00 1.49 0.00 -1.00 -3.50 119.26 118.20 3h1b h ALA 296 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3h1b h ALA 296 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h1b h ALA 296 CO 0.10 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.20