#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2s s ILE 3 N 0.00 1.59 -0.09 3.15 1.01 0.18 -0.50 121.20 126.54 3h2s s ILE 3 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 3h2s s ILE 3 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3h2s s ILE 3 CO 0.00 0.39 0.71 0.00 0.00 0.00 0.00 174.94 176.04 3h2s s ALA 4 N 1.46 3.37 -0.28 9.38 0.00 -0.05 -0.59 121.76 135.06 3h2s s ALA 4 Ca 0.04 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 3h2s s ALA 4 Cb -0.14 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3h2s s ALA 4 CO -0.10 -0.19 0.01 0.08 0.00 0.00 0.00 175.76 175.56 3h2s s VAL 5 N 1.02 3.40 0.04 0.00 1.01 0.24 -0.78 120.40 125.33 3h2s s VAL 5 Ca 0.37 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 3h2s s VAL 5 Cb -0.17 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 3h2s s VAL 5 CO 0.17 0.11 0.69 -0.76 0.00 0.00 0.00 175.10 175.31 3h2s s LEU 6 N 1.40 4.46 -0.83 3.92 1.02 0.33 -1.64 118.68 127.34 3h2s s LEU 6 Ca 0.01 1.35 -0.03 0.00 0.02 0.00 0.00 54.13 55.48 3h2s s LEU 6 Cb -0.17 -3.10 0.00 0.00 0.02 0.00 0.00 46.19 42.94 3h2s s LEU 6 CO -0.01 0.09 0.45 0.61 0.02 0.00 0.00 176.35 177.51 3h2s n GLY 7 N 2.28 0.05 0.27 -3.19 0.00 -1.24 -1.07 105.19 102.29 3h2s n GLY 7 Ca -0.05 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3h2s n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2s h ALA 8 N 0.56 1.40 -0.00 4.61 0.00 -1.66 -1.78 119.26 122.38 3h2s h ALA 8 Ca -0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3h2s h ALA 8 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h2s h ALA 8 CO 0.31 0.11 -0.19 0.25 0.00 0.00 0.00 179.25 179.73 3h2s n THR 9 N -3.77 0.00 -1.32 0.00 -2.24 -1.26 -1.51 114.28 104.18 3h2s n THR 9 Ca -0.02 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 3h2s n THR 9 Cb 0.19 0.03 0.15 0.00 -2.10 0.00 0.00 70.33 68.61 3h2s n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h2s n GLY 10 N 1.35 -1.90 0.22 3.38 0.00 -0.67 -4.69 105.19 102.87 3h2s n GLY 10 Ca 0.12 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 3h2s n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h2s h ARG 11 N 0.00 -0.45 -0.36 1.61 3.08 -1.91 -0.65 114.38 115.70 3h2s h ARG 11 Ca -0.29 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3h2s h ARG 11 Cb 0.82 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 3h2s h ARG 11 CO 0.20 -0.12 0.12 0.00 -1.07 0.00 0.00 179.97 179.09 3h2s h ALA 12 N -0.41 0.47 -0.57 0.04 0.00 -1.89 -3.16 119.26 113.75 3h2s h ALA 12 Ca -0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3h2s h ALA 12 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3h2s h ALA 12 CO 0.08 0.10 0.35 0.78 0.00 0.00 0.00 179.25 180.56 3h2s h GLY 13 N 0.43 0.80 1.87 0.00 0.00 -1.65 -0.78 103.07 103.74 3h2s h GLY 13 Ca 0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3h2s h GLY 13 CO -0.00 0.24 -0.44 1.48 0.00 0.00 0.00 176.54 177.81 3h2s h SER 14 N 0.70 0.15 -0.39 0.19 4.64 -0.01 -0.25 113.55 118.57 3h2s h SER 14 Ca 0.22 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 3h2s h SER 14 Cb -0.01 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3h2s h SER 14 CO -0.08 0.58 -0.34 0.00 -0.87 0.00 0.00 176.83 176.12 3h2s h ALA 15 N 1.43 0.57 -0.61 5.18 0.00 -1.40 -2.06 119.26 122.38 3h2s h ALA 15 Ca 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3h2s h ALA 15 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3h2s h ALA 15 CO 0.06 0.64 0.26 0.82 0.00 0.00 0.00 179.25 181.04 3h2s h ILE 16 N 0.75 1.23 -0.66 0.00 2.04 -0.68 -1.14 117.51 119.04 3h2s h ILE 16 Ca 0.07 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3h2s h ILE 16 Cb 0.93 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3h2s h ILE 16 CO 0.09 0.27 0.42 0.58 0.00 0.00 0.00 178.15 179.51 3h2s h VAL 17 N 0.84 1.18 -0.35 1.67 2.07 -0.91 0.81 116.25 121.55 3h2s h VAL 17 Ca 0.20 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3h2s h VAL 17 Cb 0.18 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3h2s h VAL 17 CO -0.02 0.17 0.05 0.00 0.02 0.00 0.00 177.57 177.80 3h2s h ALA 18 N 1.23 0.47 -0.58 1.67 0.00 -1.16 -0.99 119.26 119.90 3h2s h ALA 18 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3h2s h ALA 18 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h2s h ALA 18 CO -0.05 0.18 -0.03 1.49 0.00 0.00 0.00 179.25 180.84 3h2s h GLU 19 N 0.42 1.04 -0.51 0.00 4.57 -1.00 0.37 114.58 119.47 3h2s h GLU 19 Ca 0.11 -0.35 0.05 0.00 -1.18 0.00 0.00 59.36 57.98 3h2s h GLU 19 Cb 0.37 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3h2s h GLU 19 CO 0.01 1.04 0.26 0.00 -1.18 0.00 0.00 179.01 179.13 3h2s h ALA 20 N 0.97 0.65 -0.45 2.92 0.00 -0.56 -1.65 119.26 121.13 3h2s h ALA 20 Ca 0.16 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3h2s h ALA 20 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h2s h ALA 20 CO 0.04 -0.09 -0.21 0.00 0.00 0.00 0.00 179.25 178.99 3h2s h ARG 21 N 0.50 0.90 -0.68 0.00 3.08 -0.81 -1.40 114.38 115.97 3h2s h ARG 21 Ca 0.23 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 59.95 3h2s h ARG 21 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3h2s h ARG 21 CO -0.16 1.02 0.45 -0.09 -1.07 0.00 0.00 179.97 180.12 3h2s h ARG 22 N 0.78 0.73 -0.47 0.04 2.43 -0.65 -2.04 114.38 115.21 3h2s h ARG 22 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3h2s h ARG 22 Cb 0.75 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3h2s h ARG 22 CO 0.06 0.48 0.00 0.54 -1.51 0.00 0.00 179.97 179.54 3h2s n ARG 23 N -4.47 2.10 -1.37 0.20 1.74 -0.65 -4.91 116.66 109.30 3h2s n ARG 23 Ca 0.09 -1.63 -0.01 0.00 -0.77 0.00 0.00 57.85 55.53 3h2s n ARG 23 Cb 0.18 -1.38 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3h2s n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h2s n GLY 24 N 1.18 0.40 3.90 -0.13 0.00 -0.77 -5.04 105.19 104.74 3h2s n GLY 24 Ca 0.15 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3h2s n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h2s s HIS 25 N -2.03 3.49 -0.24 1.61 3.76 -0.57 -5.03 115.29 116.29 3h2s s HIS 25 Ca 0.00 0.46 -0.26 0.00 -0.15 0.00 0.00 55.06 55.11 3h2s s HIS 25 Cb 0.00 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.76 3h2s s HIS 25 CO 0.00 0.48 0.92 -2.00 -0.85 0.00 0.00 174.74 173.29 3h2s s GLU 26 N -2.61 4.21 -0.14 1.40 2.12 -1.26 -4.40 118.70 118.02 3h2s s GLU 26 Ca 0.39 1.12 -0.07 0.00 0.36 0.00 0.00 54.97 56.77 3h2s s GLU 26 Cb -0.12 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 3h2s s GLU 26 CO 0.26 -0.57 0.11 0.08 -0.54 0.00 0.00 175.26 174.59 3h2s s VAL 27 N 3.01 5.25 -0.28 3.70 1.01 -1.26 -0.65 120.40 131.17 3h2s s VAL 27 Ca 0.39 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 3h2s s VAL 27 Cb -0.15 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.96 3h2s s VAL 27 CO 0.07 0.55 -0.05 -0.22 0.00 0.00 0.00 175.10 175.46 3h2s s LEU 28 N -0.50 3.64 -0.36 3.92 2.96 0.24 -3.77 118.68 124.80 3h2s s LEU 28 Ca 0.12 -1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 52.57 3h2s s LEU 28 Cb -0.12 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3h2s s LEU 28 CO 0.02 -0.22 0.63 0.00 -1.32 0.00 0.00 176.35 175.46 3h2s s ALA 29 N 1.22 3.45 -0.25 5.97 0.00 -0.21 -0.59 121.76 131.34 3h2s s ALA 29 Ca -0.06 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 3h2s s ALA 29 Cb -0.19 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3h2s s ALA 29 CO -0.03 -1.38 0.74 0.08 0.00 0.00 0.00 175.76 175.18 3h2s s VAL 30 N 2.71 4.89 0.11 0.00 1.01 -0.65 -0.30 120.40 128.17 3h2s s VAL 30 Ca 0.24 1.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 3h2s s VAL 30 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3h2s s VAL 30 CO 0.15 -0.05 0.01 0.68 0.00 0.00 0.00 175.10 175.90 3h2s s VAL 31 N 2.71 0.27 -0.26 2.92 -7.23 -0.23 -3.69 120.40 114.89 3h2s s VAL 31 Ca 0.31 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.66 3h2s s VAL 31 Cb -0.15 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 3h2s s VAL 31 CO 0.08 -0.65 0.28 -2.11 -0.31 0.00 0.00 175.10 172.39 3h2s n ARG 32 N -0.05 3.26 -3.81 4.82 1.85 -1.26 -2.30 116.66 119.17 3h2s n ARG 32 Ca -0.09 -0.02 -0.30 0.00 -1.00 0.00 0.00 57.85 56.45 3h2s n ARG 32 Cb 0.63 -0.95 -0.13 0.00 -1.05 0.00 0.00 32.46 30.95 3h2s n ARG 32 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3h2s s ASP 33 N -2.06 3.93 0.28 2.89 -1.08 -1.26 -4.98 116.67 114.38 3h2s s ASP 33 Ca 0.01 -2.87 0.01 0.00 -0.52 0.00 0.00 52.55 49.19 3h2s s ASP 33 Cb 0.06 -1.29 0.60 0.00 -1.46 0.00 0.00 42.92 40.83 3h2s s ASP 33 CO 0.31 -0.24 1.77 -0.65 0.52 0.00 0.00 175.17 176.89 3h2s h PRO 34 N 6.52 0.67 -0.16 4.34 0.11 -1.99 -0.44 132.00 141.05 3h2s h PRO 34 Ca -0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3h2s h PRO 34 Cb 0.90 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3h2s h PRO 34 CO 0.58 0.44 0.08 1.96 -0.21 0.00 0.00 178.00 180.85 3h2s h GLN 35 N 0.69 0.22 -0.92 1.05 7.50 -1.99 0.11 115.11 121.77 3h2s h GLN 35 Ca 0.50 -0.03 0.10 0.00 0.50 0.00 0.00 58.65 59.72 3h2s h GLN 35 Cb 0.73 -0.04 -0.07 0.00 0.05 0.00 0.00 27.48 28.15 3h2s h GLN 35 CO -0.37 0.24 0.59 -0.22 -1.50 0.00 0.00 178.83 177.57 3h2s h LYS 36 N 0.15 0.90 -0.35 1.46 3.64 -1.81 -0.07 116.57 120.50 3h2s h LYS 36 Ca 0.05 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3h2s h LYS 36 Cb 0.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3h2s h LYS 36 CO -0.01 0.60 -0.24 0.00 -2.27 0.00 0.00 179.45 177.53 3h2s h ALA 37 N 1.54 0.50 -0.66 5.00 0.00 -0.48 0.36 119.26 125.53 3h2s h ALA 37 Ca 0.43 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h2s h ALA 37 Cb 0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3h2s h ALA 37 CO -0.19 0.48 0.25 0.00 0.00 0.00 0.00 179.25 179.80 3h2s h ALA 38 N 0.77 0.86 0.05 0.00 0.00 -0.12 -0.66 119.26 120.15 3h2s h ALA 38 Ca 0.07 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 3h2s h ALA 38 Cb 0.80 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h2s h ALA 38 CO 0.06 0.49 -1.06 0.38 0.00 0.00 0.00 179.25 179.13 3h2s h ASP 39 N 0.94 0.61 0.34 0.00 2.03 -0.87 -2.82 116.42 116.66 3h2s h ASP 39 Ca 0.22 -0.53 -0.14 0.00 -0.73 0.00 0.00 57.03 55.85 3h2s h ASP 39 Cb 0.23 -0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 38.51 3h2s h ASP 39 CO -0.02 1.35 -1.79 0.54 -1.03 0.00 0.00 179.24 178.29 3h2s n ARG 40 N -3.73 0.65 -0.04 4.15 1.74 0.10 -4.58 116.66 114.95 3h2s n ARG 40 Ca -0.09 0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 56.97 3h2s n ARG 40 Cb 0.90 -1.65 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 3h2s n ARG 40 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h2s n LEU 41 N -2.63 1.26 0.00 0.55 4.77 -0.27 -5.00 117.00 115.68 3h2s n LEU 41 Ca -0.12 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3h2s n LEU 41 Cb 0.80 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3h2s n LEU 41 CO 0.44 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3h2s n GLY 42 N 2.75 2.62 0.30 -0.72 0.00 -1.06 -4.69 105.19 104.39 3h2s n GLY 42 Ca -0.14 -1.78 0.20 0.00 0.00 0.00 0.00 46.02 44.30 3h2s n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2s h ALA 43 N 0.00 1.00 -0.02 4.61 0.00 -1.87 -2.69 119.26 120.30 3h2s h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2s h ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h2s h ALA 43 CO 0.00 0.00 -0.05 -2.37 0.00 0.00 0.00 179.25 176.83 3h2s n THR 44 N -2.94 0.00 -3.46 0.00 5.66 -1.26 -4.83 114.28 107.45 3h2s n THR 44 Ca -0.02 -0.26 -0.38 0.00 -3.05 0.00 0.00 64.05 60.35 3h2s n THR 44 Cb 0.12 0.61 -0.08 0.00 -1.55 0.00 0.00 70.33 69.43 3h2s n THR 44 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3h2s s VAL 45 N -2.09 5.24 0.42 1.08 1.01 -1.02 -5.06 120.40 119.99 3h2s s VAL 45 Ca 0.34 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.65 3h2s s VAL 45 Cb 0.21 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 3h2s s VAL 45 CO 0.37 0.27 1.23 0.00 0.00 0.00 0.00 175.10 176.97 3h2s s ALA 46 N 1.25 3.13 -0.02 5.51 0.00 -1.25 -4.90 121.76 125.49 3h2s s ALA 46 Ca 0.16 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.24 3h2s s ALA 46 Cb -0.14 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3h2s s ALA 46 CO 0.07 -0.72 -0.14 0.99 0.00 0.00 0.00 175.76 175.96 3h2s s THR 47 N -1.38 1.16 -0.23 0.00 2.01 -1.26 -1.04 115.64 114.90 3h2s s THR 47 Ca 0.59 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.00 3h2s s THR 47 Cb -0.33 -0.98 0.05 0.00 0.01 0.00 0.00 72.50 71.25 3h2s s THR 47 CO 0.42 0.33 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.34 3h2s s LEU 48 N -0.24 2.95 -0.72 4.42 2.96 0.59 -4.88 118.68 123.77 3h2s s LEU 48 Ca 0.03 -1.16 -0.20 0.00 -0.22 0.00 0.00 54.13 52.58 3h2s s LEU 48 Cb -0.07 -1.46 0.11 0.00 0.50 0.00 0.00 46.19 45.27 3h2s s LEU 48 CO -0.00 -0.15 0.91 -0.69 -1.32 0.00 0.00 176.35 175.10 3h2s s VAL 49 N 1.20 4.69 -0.21 1.68 1.01 -1.26 -1.07 120.40 126.45 3h2s s VAL 49 Ca -0.05 -1.06 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3h2s s VAL 49 Cb -0.18 -4.63 0.06 0.00 0.00 0.00 0.00 36.38 31.63 3h2s s VAL 49 CO -0.07 -1.33 0.65 -0.75 0.00 0.00 0.00 175.10 173.60 3h2s s LYS 50 N 2.94 0.82 0.22 2.72 2.20 -0.97 -4.98 119.74 122.69 3h2s s LYS 50 Ca 0.21 0.78 -0.32 0.00 -0.36 0.00 0.00 55.97 56.28 3h2s s LYS 50 Cb -0.16 0.40 -0.12 0.00 -1.51 0.00 0.00 37.83 36.44 3h2s s LYS 50 CO 0.02 -0.13 1.72 0.39 -0.36 0.00 0.00 175.35 176.98 3h2s n GLU 51 N 2.37 2.78 -0.10 4.03 1.02 -1.26 -4.52 120.64 124.97 3h2s n GLU 51 Ca -0.15 1.00 0.12 0.00 -0.02 0.00 0.00 57.16 58.12 3h2s n GLU 51 Cb 0.56 -2.85 0.50 0.00 -0.02 0.00 0.00 31.44 29.63 3h2s n GLU 51 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3h2s h PRO 52 N 6.60 0.41 0.00 3.49 0.11 -1.97 -0.51 132.00 140.12 3h2s h PRO 52 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h2s h PRO 52 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h2s h PRO 52 CO 0.94 0.27 0.00 1.28 -0.21 0.00 0.00 178.00 180.28 3h2s n LEU 53 N -4.47 0.00 -0.12 2.35 4.32 -1.26 -2.29 117.00 115.53 3h2s n LEU 53 Ca 0.10 0.04 0.01 0.00 -0.02 0.00 0.00 56.01 56.15 3h2s n LEU 53 Cb 0.39 -0.04 0.01 0.00 -1.62 0.00 0.00 43.42 42.16 3h2s n LEU 53 CO 0.34 -0.01 0.32 0.52 -1.22 0.00 0.00 177.39 177.34 3h2s n VAL 54 N -1.04 0.11 -1.69 4.08 0.31 -0.21 -5.01 118.33 114.88 3h2s n VAL 54 Ca 0.19 -0.56 -0.43 0.00 -0.01 0.00 0.00 64.34 63.53 3h2s n VAL 54 Cb 0.11 1.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.02 3h2s n VAL 54 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h2s n LEU 55 N 0.11 3.36 -4.78 7.52 4.77 -0.97 -4.99 117.00 122.03 3h2s n LEU 55 Ca 0.02 1.20 -0.24 0.00 -0.03 0.00 0.00 56.01 56.96 3h2s n LEU 55 Cb 0.10 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 39.66 3h2s n LEU 55 CO 0.02 -0.55 -0.11 0.42 -1.33 0.00 0.00 177.39 175.84 3h2s s THR 56 N -0.93 2.39 0.23 -5.08 -4.23 -1.26 -5.02 115.64 101.75 3h2s s THR 56 Ca 0.58 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.41 3h2s s THR 56 Cb -0.59 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.47 3h2s s THR 56 CO 0.60 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 176.24 3h2s h GLU 57 N 1.32 1.12 -0.93 3.99 5.08 -1.95 -2.36 114.58 120.86 3h2s h GLU 57 Ca -0.42 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3h2s h GLU 57 Cb 1.26 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 3h2s h GLU 57 CO 0.67 0.74 0.60 0.00 -1.00 0.00 0.00 179.01 180.01 3h2s h ALA 58 N 1.34 1.31 -0.64 3.43 0.00 -1.97 -1.22 119.26 121.52 3h2s h ALA 58 Ca 0.34 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.31 3h2s h ALA 58 Cb -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.31 3h2s h ALA 58 CO -0.09 0.62 0.44 -0.44 0.00 0.00 0.00 179.25 179.78 3h2s h ASP 59 N 1.26 0.25 -0.02 0.00 3.32 -1.82 -2.87 116.42 116.54 3h2s h ASP 59 Ca 0.34 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3h2s h ASP 59 Cb -0.12 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3h2s h ASP 59 CO -0.07 0.13 -0.04 0.18 -1.72 0.00 0.00 179.24 177.73 3h2s n LEU 60 N -4.44 2.43 0.22 1.55 4.77 -0.51 -4.63 117.00 116.39 3h2s n LEU 60 Ca 0.12 -0.97 0.11 0.00 -0.03 0.00 0.00 56.01 55.23 3h2s n LEU 60 Cb 0.52 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.98 3h2s n LEU 60 CO 0.34 0.43 0.80 -0.78 -1.33 0.00 0.00 177.39 176.85 3h2s h ASP 61 N 3.40 0.00 0.73 -1.43 1.82 -1.18 -2.41 116.42 117.34 3h2s h ASP 61 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3h2s h ASP 61 Cb 0.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.75 3h2s h ASP 61 CO 0.00 0.15 -0.16 -1.54 -1.61 0.00 0.00 179.24 176.09 3h2s n SER 62 N -3.21 0.22 -4.88 2.28 3.41 -1.26 -4.90 113.62 105.28 3h2s n SER 62 Ca 0.02 0.07 -0.35 0.00 -0.26 0.00 0.00 58.87 58.35 3h2s n SER 62 Cb 0.48 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 3h2s n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3h2s s VAL 63 N -2.88 5.21 -0.14 -3.33 -7.23 -0.91 -4.77 120.40 106.34 3h2s s VAL 63 Ca 0.17 0.30 0.18 0.00 -1.81 0.00 0.00 61.98 60.82 3h2s s VAL 63 Cb 0.19 -3.60 -0.15 0.00 0.56 0.00 0.00 36.38 33.37 3h2s s VAL 63 CO 0.56 0.34 0.73 0.47 -0.31 0.00 0.00 175.10 176.89 3h2s n ASP 64 N 1.04 0.65 -3.79 4.85 9.92 0.34 -4.86 116.55 124.70 3h2s n ASP 64 Ca -0.10 0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 54.33 3h2s n ASP 64 Cb 0.53 0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 41.46 3h2s n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h2s s ALA 65 N -3.02 -0.54 -0.02 2.24 0.00 -0.80 -2.07 121.76 117.56 3h2s s ALA 65 Ca -0.04 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.83 3h2s s ALA 65 Cb 0.09 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 3h2s s ALA 65 CO 0.82 -0.40 -0.11 0.08 0.00 0.00 0.00 175.76 176.16 3h2s s VAL 66 N -2.59 0.92 -0.15 0.00 1.01 0.31 -0.87 120.40 119.03 3h2s s VAL 66 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3h2s s VAL 66 Cb -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3h2s s VAL 66 CO -0.04 0.27 -0.18 -0.69 0.00 0.00 0.00 175.10 174.47 3h2s s VAL 67 N 0.01 2.45 -0.71 2.92 1.01 0.04 -1.23 120.40 124.89 3h2s s VAL 67 Ca -0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3h2s s VAL 67 Cb -0.08 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.41 3h2s s VAL 67 CO 0.00 0.53 0.86 -0.62 0.00 0.00 0.00 175.10 175.87 3h2s s ASP 68 N 0.77 6.35 -0.26 3.32 -1.08 0.19 -0.51 116.67 125.45 3h2s s ASP 68 Ca -0.07 -1.63 0.12 0.00 -0.52 0.00 0.00 52.55 50.45 3h2s s ASP 68 Cb -0.16 -2.34 0.52 0.00 -1.46 0.00 0.00 42.92 39.49 3h2s s ASP 68 CO 0.00 -1.11 1.47 0.00 0.52 0.00 0.00 175.17 176.06 3h2s n ALA 69 N 6.39 3.89 -1.75 3.66 0.00 -0.23 -2.77 120.51 129.71 3h2s n ALA 69 Ca 0.02 -2.82 -0.33 0.00 0.00 0.00 0.00 53.44 50.31 3h2s n ALA 69 Cb 0.45 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 3h2s n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h2s s LEU 70 N -3.10 3.69 0.34 0.00 1.43 -1.23 -4.56 118.68 115.25 3h2s s LEU 70 Ca 0.44 1.86 0.05 0.00 -1.03 0.00 0.00 54.13 55.45 3h2s s LEU 70 Cb 0.39 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 3h2s s LEU 70 CO 0.04 -0.93 0.35 -0.55 0.23 0.00 0.00 176.35 175.49 3h2s s SER 71 N -2.38 1.50 -0.04 2.29 0.15 -1.26 -5.02 113.70 108.95 3h2s s SER 71 Ca 0.65 -1.69 0.01 0.00 0.70 0.00 0.00 55.95 55.62 3h2s s SER 71 Cb -0.16 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 3h2s s SER 71 CO 0.28 -1.16 -0.04 -0.69 1.20 0.00 0.00 173.24 172.83 3h2s s VAL 72 N -3.26 0.46 0.50 4.45 1.01 -1.26 -4.98 120.40 117.33 3h2s s VAL 72 Ca 0.38 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 3h2s s VAL 72 Cb 0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.84 3h2s s VAL 72 CO 0.26 0.20 1.33 -2.84 0.00 0.00 0.00 175.10 174.05 3h2s s PRO 73 N 0.83 3.40 0.60 2.72 0.02 -1.26 -4.96 135.00 136.35 3h2s s PRO 73 Ca -0.11 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 62.90 3h2s s PRO 73 Cb -0.13 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.97 3h2s s PRO 73 CO -0.00 -0.96 1.31 -1.58 -0.33 0.00 0.00 177.00 175.44 3h2s s TRP 74 N -1.33 2.19 -0.71 6.54 0.52 -1.26 -3.09 118.94 121.80 3h2s s TRP 74 Ca 0.67 1.44 0.00 0.00 0.02 0.00 0.00 56.10 58.23 3h2s s TRP 74 Cb -0.39 -3.72 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 3h2s s TRP 74 CO 0.47 -2.86 0.00 0.41 0.02 0.00 0.00 176.95 174.99 3h2s n GLY 75 N 0.80 0.80 0.08 0.98 0.00 -1.05 -4.85 105.19 101.96 3h2s n GLY 75 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 3h2s n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h2s h SER 76 N 0.00 0.00 0.00 1.61 4.64 -1.86 -3.47 113.55 114.47 3h2s h SER 76 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3h2s h SER 76 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3h2s h SER 76 CO 0.20 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 3h2s n GLY 77 N 1.43 0.82 1.52 -0.77 0.00 -1.26 -4.91 105.19 102.01 3h2s n GLY 77 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3h2s n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2s n ARG 78 N -2.13 2.09 0.25 1.61 1.74 -1.26 -4.59 116.66 114.36 3h2s n ARG 78 Ca 0.00 -3.12 0.18 0.00 -0.77 0.00 0.00 57.85 54.14 3h2s n ARG 78 Cb 0.00 -1.95 0.89 0.00 -1.02 0.00 0.00 32.46 30.39 3h2s n ARG 78 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3h2s h GLY 79 N 1.11 0.00 1.94 -0.13 0.00 -1.90 -0.73 103.07 103.36 3h2s h GLY 79 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.68 3h2s h GLY 79 CO 0.62 0.00 0.03 0.10 0.00 0.00 0.00 176.54 177.28 3h2s h TYR 80 N 0.00 0.00 -0.25 5.60 -0.00 -1.85 -2.10 116.97 118.37 3h2s h TYR 80 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.80 3h2s h TYR 80 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.13 3h2s h TYR 80 CO 0.00 0.00 0.17 -0.07 -0.00 0.00 0.00 178.16 178.26 3h2s h LEU 81 N 0.00 0.26 -0.59 0.10 3.38 -1.52 -0.38 115.31 116.57 3h2s h LEU 81 Ca 0.01 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3h2s h LEU 81 Cb 0.06 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3h2s h LEU 81 CO -0.00 0.19 0.10 0.45 0.09 0.00 0.00 178.44 179.27 3h2s h HIS 82 N 0.31 0.15 0.10 1.13 3.86 -1.59 0.31 115.15 119.43 3h2s h HIS 82 Ca 0.10 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3h2s h HIS 82 Cb 0.02 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3h2s h HIS 82 CO -0.00 -0.06 -0.05 1.25 0.86 0.00 0.00 177.93 179.93 3h2s h LEU 83 N 0.23 -0.12 -0.69 2.43 5.85 -1.45 -3.21 115.31 118.34 3h2s h LEU 83 Ca 0.31 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3h2s h LEU 83 Cb 0.47 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3h2s h LEU 83 CO -0.42 0.33 0.45 0.44 -0.34 0.00 0.00 178.44 178.90 3h2s h ASP 84 N -0.60 0.76 -0.56 1.25 3.32 -0.88 -0.26 116.42 119.45 3h2s h ASP 84 Ca -0.01 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.04 3h2s h ASP 84 Cb 0.48 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3h2s h ASP 84 CO 0.02 0.54 0.35 -0.26 -1.72 0.00 0.00 179.24 178.18 3h2s h PHE 85 N 0.90 0.66 -0.19 4.55 0.04 -1.07 -1.55 116.94 120.28 3h2s h PHE 85 Ca 0.26 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.02 3h2s h PHE 85 Cb -0.06 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3h2s h PHE 85 CO -0.03 0.39 -0.00 0.00 -0.60 0.00 0.00 178.31 178.06 3h2s h ALA 86 N 1.24 0.26 -0.83 2.45 0.00 -1.37 -1.24 119.26 119.76 3h2s h ALA 86 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h2s h ALA 86 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3h2s h ALA 86 CO -0.08 -0.03 0.52 1.79 0.00 0.00 0.00 179.25 181.45 3h2s h THR 87 N 0.09 1.23 -0.10 0.00 1.35 -1.01 -0.72 112.91 113.75 3h2s h THR 87 Ca 0.05 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 3h2s h THR 87 Cb 0.40 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.85 3h2s h THR 87 CO 0.01 0.23 0.01 -0.74 -0.25 0.00 0.00 175.52 174.78 3h2s h HIS 88 N 1.14 0.18 -0.18 4.73 6.17 -1.20 -2.14 115.15 123.85 3h2s h HIS 88 Ca 0.30 -0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.39 3h2s h HIS 88 Cb -0.07 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 3h2s h HIS 88 CO 0.00 0.39 -0.04 1.25 0.71 0.00 0.00 177.93 180.24 3h2s h LEU 89 N -0.08 -0.16 -1.11 0.26 5.85 -0.95 -2.18 115.31 116.93 3h2s h LEU 89 Ca 0.03 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.96 3h2s h LEU 89 Cb 0.31 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 3h2s h LEU 89 CO 0.00 -0.06 0.61 0.58 -0.34 0.00 0.00 178.44 179.24 3h2s h VAL 90 N 0.00 0.80 0.00 1.05 2.07 -1.13 -1.35 116.25 117.70 3h2s h VAL 90 Ca 0.09 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3h2s h VAL 90 Cb 0.13 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3h2s h VAL 90 CO -0.18 0.15 -0.03 0.77 0.02 0.00 0.00 177.57 178.29 3h2s h SER 91 N 0.80 0.00 0.47 0.57 4.64 -0.73 -0.63 113.55 118.67 3h2s h SER 91 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3h2s h SER 91 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3h2s h SER 91 CO -0.29 0.03 -0.49 0.18 -0.87 0.00 0.00 176.83 175.40 3h2s n LEU 92 N -3.20 0.55 -1.07 5.97 4.77 -0.52 -4.08 117.00 119.42 3h2s n LEU 92 Ca -0.01 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.03 3h2s n LEU 92 Cb 0.22 -0.24 0.26 0.00 -2.33 0.00 0.00 43.42 41.33 3h2s n LEU 92 CO 0.26 0.13 0.72 0.18 -1.33 0.00 0.00 177.39 177.35 3h2s n LEU 93 N -1.44 3.61 -4.73 2.23 4.77 -0.25 -4.87 117.00 116.32 3h2s n LEU 93 Ca 0.06 -2.06 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 3h2s n LEU 93 Cb 0.34 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3h2s n LEU 93 CO 0.34 0.86 1.13 -0.13 -1.33 0.00 0.00 177.39 178.26 3h2s s ARG 94 N -1.12 4.27 -1.47 3.23 1.81 -1.22 -2.47 118.95 121.97 3h2s s ARG 94 Ca 0.39 2.28 -0.09 0.00 -1.72 0.00 0.00 55.73 56.59 3h2s s ARG 94 Cb 0.21 -3.14 0.06 0.00 -0.45 0.00 0.00 34.95 31.63 3h2s s ARG 94 CO 0.25 -0.46 0.83 0.09 -0.68 0.00 0.00 175.30 175.33 3h2s n ASN 95 N 2.95 -3.16 -4.12 0.23 3.02 -1.26 -5.00 115.26 107.92 3h2s n ASN 95 Ca 0.09 -0.83 -0.14 0.00 -0.03 0.00 0.00 54.58 53.67 3h2s n ASN 95 Cb 0.40 -3.77 -0.11 0.00 -0.61 0.00 0.00 39.78 35.69 3h2s n ASN 95 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h2s s SER 96 N -3.73 1.16 0.00 6.41 0.15 -1.03 -5.03 113.70 111.63 3h2s s SER 96 Ca 0.41 -0.70 0.28 0.00 0.70 0.00 0.00 55.95 56.64 3h2s s SER 96 Cb -0.21 0.03 1.03 0.00 -1.71 0.00 0.00 66.02 65.16 3h2s s SER 96 CO 0.84 -0.24 1.76 0.47 1.20 0.00 0.00 173.24 177.27 3h2s n ASP 97 N 0.98 0.29 -4.64 5.45 8.00 -1.26 -4.64 116.55 120.72 3h2s n ASP 97 Ca -0.19 -0.06 -0.50 0.00 0.71 0.00 0.00 54.79 54.75 3h2s n ASP 97 Cb 0.56 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 3h2s n ASP 97 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3h2s n THR 98 N -1.33 0.07 -2.68 -3.53 -1.04 -1.26 -4.85 114.28 99.65 3h2s n THR 98 Ca 0.09 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 3h2s n THR 98 Cb 0.32 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.57 3h2s n THR 98 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h2s s LEU 99 N 1.19 4.50 -0.17 -4.42 1.43 -0.88 -4.24 118.68 116.10 3h2s s LEU 99 Ca 0.84 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 3h2s s LEU 99 Cb -0.84 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 41.83 3h2s s LEU 99 CO 0.45 -0.09 -0.08 0.00 0.23 0.00 0.00 176.35 176.86 3h2s s ALA 100 N -0.08 1.68 -0.23 4.21 0.00 -0.07 -0.53 121.76 126.74 3h2s s ALA 100 Ca 0.47 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 3h2s s ALA 100 Cb -0.25 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 3h2s s ALA 100 CO 0.31 -0.71 0.15 0.08 0.00 0.00 0.00 175.76 175.60 3h2s s VAL 101 N 1.54 5.37 -0.17 0.00 1.01 -0.37 0.16 120.40 127.95 3h2s s VAL 101 Ca 0.01 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3h2s s VAL 101 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3h2s s VAL 101 CO -0.08 0.37 -0.06 -0.36 0.00 0.00 0.00 175.10 174.96 3h2s s PHE 102 N 0.91 2.95 -0.16 5.22 0.08 0.82 -0.64 117.98 127.15 3h2s s PHE 102 Ca 0.08 -0.58 -0.27 0.00 0.12 0.00 0.00 56.93 56.28 3h2s s PHE 102 Cb -0.13 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 3h2s s PHE 102 CO 0.03 -0.24 0.92 0.42 -0.10 0.00 0.00 175.22 176.25 3h2s s ILE 103 N 0.73 4.82 0.00 0.64 1.01 -1.11 -0.91 121.20 126.37 3h2s s ILE 103 Ca -0.03 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.45 3h2s s ILE 103 Cb -0.15 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3h2s s ILE 103 CO 0.02 -0.02 0.00 0.18 0.00 0.00 0.00 174.94 175.12 3h2s n LEU 104 N 5.36 0.00 -4.83 2.97 4.77 0.24 -4.94 117.00 120.56 3h2s n LEU 104 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 3h2s n LEU 104 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3h2s n LEU 104 CO 0.50 -0.18 -0.06 -0.83 -1.33 0.00 0.00 177.39 175.49 3h2s s GLY 105 N -1.20 2.07 0.34 -0.72 0.00 -1.26 -4.29 107.32 102.27 3h2s s GLY 105 Ca 0.00 -1.86 0.18 0.00 0.00 0.00 0.00 44.72 43.04 3h2s s GLY 105 CO 0.00 -1.71 1.57 0.23 0.00 0.00 0.00 173.10 173.19 3h2s h SER 106 N 1.19 0.00 0.84 1.64 0.87 -1.88 -3.32 113.55 112.90 3h2s h SER 106 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3h2s h SER 106 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3h2s h SER 106 CO 0.60 0.37 0.00 0.00 -0.53 0.00 0.00 176.83 177.27 3h2s n ALA 107 N -2.21 1.81 1.38 6.23 0.00 -1.26 -1.48 120.51 124.98 3h2s n ALA 107 Ca 0.02 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.62 3h2s n ALA 107 Cb 0.62 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 19.15 3h2s n ALA 107 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h2s n SER 108 N -2.07 1.32 -4.86 0.00 3.41 -1.25 -1.88 113.62 108.29 3h2s n SER 108 Ca 0.03 -1.25 -0.31 0.00 -0.26 0.00 0.00 58.87 57.09 3h2s n SER 108 Cb 0.26 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 3h2s n SER 108 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h2s s LEU 109 N -2.22 3.90 0.00 1.04 1.43 -0.55 -4.45 118.68 117.83 3h2s s LEU 109 Ca 0.32 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 3h2s s LEU 109 Cb 0.20 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3h2s s LEU 109 CO 0.41 -0.34 0.00 0.00 0.23 0.00 0.00 176.35 176.65 3h2s n ALA 110 N -0.99 0.00 -2.71 4.21 0.00 0.60 -4.51 120.51 117.11 3h2s n ALA 110 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3h2s n ALA 110 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3h2s n ALA 110 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3h2s s PRO 112 N 0.00 4.40 0.00 0.00 0.02 -1.26 -0.86 135.00 137.29 3h2s s PRO 112 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.79 3h2s s PRO 112 Cb 0.00 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 31.06 3h2s s PRO 112 CO 0.00 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 3h2s n GLY 113 N 3.20 1.02 3.94 0.52 0.00 -1.26 -5.03 105.19 107.58 3h2s n GLY 113 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3h2s n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2s s ALA 114 N -3.34 4.10 -0.11 4.61 0.00 -1.26 -5.04 121.76 120.72 3h2s s ALA 114 Ca 0.00 -1.55 0.14 0.00 0.00 0.00 0.00 51.96 50.55 3h2s s ALA 114 Cb 0.00 -1.47 0.25 0.00 0.00 0.00 0.00 23.12 21.90 3h2s s ALA 114 CO 0.00 -0.03 1.13 -0.40 0.00 0.00 0.00 175.76 176.46 3h2s n ASP 115 N -1.54 1.73 -3.56 0.00 5.75 -1.26 -4.89 116.55 112.78 3h2s n ASP 115 Ca -0.00 -2.91 -0.14 0.00 -0.01 0.00 0.00 54.79 51.73 3h2s n ASP 115 Cb 0.59 -0.39 -0.05 0.00 -1.03 0.00 0.00 41.12 40.24 3h2s n ASP 115 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3h2s s HIS 116 N -2.20 -0.44 0.00 2.11 -3.43 -1.26 -5.05 115.29 105.02 3h2s s HIS 116 Ca 0.26 0.50 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 3h2s s HIS 116 Cb 0.23 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 3h2s s HIS 116 CO 0.01 -0.66 0.00 -2.30 -2.00 0.00 0.00 174.74 169.79 3h2s n PRO 117 N 0.37 1.99 0.00 -0.38 -0.02 -1.26 -3.95 135.00 131.75 3h2s n PRO 117 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3h2s n PRO 117 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3h2s n PRO 117 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3h2s n ILE 119 N -0.35 0.00 0.27 4.25 3.06 -0.79 -4.29 119.36 121.52 3h2s n ILE 119 Ca 0.00 0.00 0.15 0.00 -2.50 0.00 0.00 62.75 60.40 3h2s n ILE 119 Cb 0.00 0.00 0.76 0.00 0.54 0.00 0.00 39.64 40.94 3h2s n ILE 119 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3h2s h LEU 120 N 0.00 0.00 -1.61 9.51 3.38 -1.93 -2.64 115.31 122.01 3h2s h LEU 120 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2s h LEU 120 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h2s h LEU 120 CO 0.00 0.09 -0.14 0.47 0.09 0.00 0.00 178.44 178.95 3h2s n ASP 121 N -3.45 2.63 -4.75 -0.43 8.00 -1.26 -4.97 116.55 112.31 3h2s n ASP 121 Ca -0.01 -1.81 -0.41 0.00 0.71 0.00 0.00 54.79 53.26 3h2s n ASP 121 Cb 0.25 0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 3h2s n ASP 121 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h2s n PHE 122 N 0.88 2.72 -0.89 1.24 3.01 -1.00 -4.98 117.46 118.44 3h2s n PHE 122 Ca 0.12 0.46 -0.31 0.00 1.01 0.00 0.00 57.45 58.73 3h2s n PHE 122 Cb 0.54 -2.48 0.14 0.00 -0.01 0.00 0.00 39.48 37.67 3h2s n PHE 122 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3h2s s PRO 123 N -2.19 1.39 0.43 -1.08 0.02 -1.26 -4.93 135.00 127.38 3h2s s PRO 123 Ca 0.57 1.49 0.09 0.00 0.02 0.00 0.00 61.00 63.16 3h2s s PRO 123 Cb -0.48 -1.77 0.93 0.00 0.02 0.00 0.00 34.50 33.19 3h2s s PRO 123 CO 0.61 -2.35 2.07 1.49 -0.33 0.00 0.00 177.00 178.49 3h2s h GLU 124 N -1.57 0.44 0.00 5.54 4.81 -2.01 -1.35 114.58 120.44 3h2s h GLU 124 Ca -0.44 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3h2s h GLU 124 Cb 1.26 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 3h2s h GLU 124 CO 0.44 0.30 -0.00 0.66 -0.73 0.00 0.00 179.01 179.68 3h2s h SER 125 N 0.45 0.00 0.04 1.04 4.64 -2.03 -2.62 113.55 115.08 3h2s h SER 125 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3h2s h SER 125 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3h2s h SER 125 CO -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.88 3h2s h ALA 126 N 2.00 1.83 0.00 5.18 0.00 -1.60 -1.43 119.26 125.24 3h2s h ALA 126 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h2s h ALA 126 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h2s h ALA 126 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3h2s n ALA 127 N -2.52 1.52 1.01 0.00 0.00 -0.99 -0.83 120.51 118.70 3h2s n ALA 127 Ca -0.02 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3h2s n ALA 127 Cb 0.16 -1.30 0.39 0.00 0.00 0.00 0.00 19.45 18.70 3h2s n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h2s n SER 128 N -1.96 0.32 -4.81 0.00 7.64 -0.54 -4.82 113.62 109.45 3h2s n SER 128 Ca 0.02 0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 3h2s n SER 128 Cb 0.16 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 3h2s n SER 128 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3h2s s GLN 129 N -2.99 4.28 0.61 1.43 -1.52 -0.01 -4.96 119.66 116.51 3h2s s GLN 129 Ca 0.13 0.95 0.39 0.00 -1.95 0.00 0.00 55.36 54.87 3h2s s GLN 129 Cb 0.18 -2.73 2.00 0.00 -0.22 0.00 0.00 33.01 32.24 3h2s s GLN 129 CO 0.63 0.29 2.23 -1.35 -0.25 0.00 0.00 175.29 176.85 3h2s h PRO 130 N 3.04 0.00 0.00 2.91 0.11 -1.89 -2.27 132.00 133.90 3h2s h PRO 130 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h2s h PRO 130 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h2s h PRO 130 CO 0.65 0.02 -0.56 0.11 -0.21 0.00 0.00 178.00 178.00 3h2s h TRP 131 N 0.00 0.00 -0.09 0.65 5.08 -1.93 -2.77 115.95 116.89 3h2s h TRP 131 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3h2s h TRP 131 Cb 0.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.33 3h2s h TRP 131 CO 0.00 0.00 0.01 -0.92 -1.28 0.00 0.00 178.44 176.25 3h2s h TYR 132 N 0.00 0.17 -0.52 0.12 3.20 -1.65 -2.29 116.97 116.00 3h2s h TYR 132 Ca 0.00 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.94 3h2s h TYR 132 Cb 0.80 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.92 3h2s h TYR 132 CO 0.00 0.39 -0.28 0.22 -1.64 0.00 0.00 178.16 176.86 3h2s h ASP 133 N -0.10 -0.96 -0.63 -2.11 3.58 -1.77 0.13 116.42 114.57 3h2s h ASP 133 Ca 0.03 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 3h2s h ASP 133 Cb 0.32 0.49 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 3h2s h ASP 133 CO 0.00 -0.28 0.28 1.23 -2.88 0.00 0.00 179.24 177.59 3h2s h GLY 134 N -0.15 0.98 1.00 -0.78 0.00 -1.82 -2.40 103.07 99.90 3h2s h GLY 134 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3h2s h GLY 134 CO -0.61 0.48 0.34 0.00 0.00 0.00 0.00 176.54 176.75 3h2s h ALA 135 N 1.12 0.65 0.03 3.60 0.00 -0.74 -0.93 119.26 122.98 3h2s h ALA 135 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h2s h ALA 135 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h2s h ALA 135 CO -0.02 0.10 -0.10 1.25 0.00 0.00 0.00 179.25 180.47 3h2s h LEU 136 N 0.70 -0.29 -1.17 0.00 5.85 -0.70 -0.96 115.31 118.74 3h2s h LEU 136 Ca 0.19 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3h2s h LEU 136 Cb -0.08 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3h2s h LEU 136 CO -0.04 -0.15 -0.27 1.88 -0.34 0.00 0.00 178.44 179.51 3h2s h TYR 137 N -0.19 0.00 -0.03 1.25 -1.99 -1.20 -0.69 116.97 114.13 3h2s h TYR 137 Ca 0.03 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.59 3h2s h TYR 137 Cb 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 3h2s h TYR 137 CO -0.15 0.27 -0.75 1.96 -0.00 0.00 0.00 178.16 179.49 3h2s h GLN 138 N 0.00 0.19 -0.17 4.88 4.20 -1.01 0.27 115.11 123.47 3h2s h GLN 138 Ca -0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3h2s h GLN 138 Cb 0.74 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3h2s h GLN 138 CO 0.04 0.85 0.11 -0.92 -0.67 0.00 0.00 178.83 178.23 3h2s h TYR 139 N 0.12 0.23 -0.90 2.96 3.20 -0.47 -1.16 116.97 120.94 3h2s h TYR 139 Ca -0.02 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3h2s h TYR 139 Cb 1.32 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.47 3h2s h TYR 139 CO 0.02 0.18 0.59 1.88 -1.64 0.00 0.00 178.16 179.20 3h2s h TYR 140 N 0.21 1.12 -0.73 -3.82 0.05 -0.97 -1.42 116.97 111.41 3h2s h TYR 140 Ca 0.06 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.92 3h2s h TYR 140 Cb 0.02 -0.38 -0.05 0.00 1.01 0.00 0.00 36.73 37.33 3h2s h TYR 140 CO -0.05 0.68 0.43 1.49 -1.05 0.00 0.00 178.16 179.66 3h2s h GLU 141 N 1.19 0.78 -0.70 4.88 4.81 -0.27 0.43 114.58 125.70 3h2s h GLU 141 Ca 0.34 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3h2s h GLU 141 Cb -0.08 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 3h2s h GLU 141 CO -0.09 0.52 0.34 -0.92 -0.73 0.00 0.00 179.01 178.12 3h2s h TYR 142 N 0.80 1.00 -0.30 0.92 -0.00 -0.77 -1.08 116.97 117.54 3h2s h TYR 142 Ca 0.32 -0.05 -0.16 0.00 -0.00 0.00 0.00 58.73 58.84 3h2s h TYR 142 Cb 0.15 -0.31 -0.01 0.00 -0.00 0.00 0.00 36.73 36.56 3h2s h TYR 142 CO -0.06 0.74 -0.44 1.96 -0.00 0.00 0.00 178.16 180.37 3h2s h GLN 143 N 0.97 0.77 -0.56 1.82 4.20 -0.58 -3.09 115.11 118.64 3h2s h GLN 143 Ca 0.24 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3h2s h GLN 143 Cb 0.11 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3h2s h GLN 143 CO -0.03 1.05 0.36 0.35 -0.67 0.00 0.00 178.83 179.89 3h2s h PHE 144 N 0.62 0.71 -0.96 2.96 3.57 0.17 -2.84 116.94 121.19 3h2s h PHE 144 Ca 0.04 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3h2s h PHE 144 Cb 1.00 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 3h2s h PHE 144 CO 0.05 0.46 0.61 -0.07 -2.23 0.00 0.00 178.31 177.14 3h2s h LEU 145 N 0.76 0.85 -5.28 0.59 3.38 -1.13 -3.34 115.31 111.14 3h2s h LEU 145 Ca 0.20 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.96 3h2s h LEU 145 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3h2s h LEU 145 CO -0.04 0.46 1.75 0.00 0.09 0.00 0.00 178.44 180.71 3h2s n GLN 146 N -4.58 1.51 -1.91 1.13 6.02 -1.07 -4.69 117.38 113.78 3h2s n GLN 146 Ca 0.18 -1.07 -0.11 0.00 -0.01 0.00 0.00 57.00 55.99 3h2s n GLN 146 Cb 0.36 -2.21 0.01 0.00 1.02 0.00 0.00 30.24 29.42 3h2s n GLN 146 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h2s n ASN 148 N 3.94 -2.52 0.12 1.08 4.13 -1.26 -5.09 115.26 115.66 3h2s n ASN 148 Ca 0.32 0.02 0.13 0.00 1.68 0.00 0.00 54.58 56.73 3h2s n ASN 148 Cb 0.19 -0.68 0.44 0.00 -1.54 0.00 0.00 39.78 38.19 3h2s n ASN 148 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h2s n ALA 149 N 0.28 2.03 -1.27 5.41 0.00 -1.26 -3.63 120.51 122.07 3h2s n ALA 149 Ca -0.02 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.49 3h2s n ALA 149 Cb 0.26 -1.44 0.19 0.00 0.00 0.00 0.00 19.45 18.47 3h2s n ALA 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h2s n ASN 150 N -2.25 2.50 -4.26 0.00 5.03 -1.26 -4.97 115.26 110.04 3h2s n ASN 150 Ca 0.04 -3.43 -0.26 0.00 0.87 0.00 0.00 54.58 51.80 3h2s n ASN 150 Cb 0.35 -0.52 -0.14 0.00 -1.02 0.00 0.00 39.78 38.45 3h2s n ASN 150 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3h2s s VAL 151 N -3.04 1.69 -1.43 2.41 1.01 -1.24 -4.64 120.40 115.16 3h2s s VAL 151 Ca 0.38 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3h2s s VAL 151 Cb 0.34 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 35.30 3h2s s VAL 151 CO 0.01 0.21 2.48 0.59 0.00 0.00 0.00 175.10 178.39 3h2s n ASN 152 N 1.84 7.39 -4.90 3.32 3.02 -1.26 -4.74 115.26 119.93 3h2s n ASN 152 Ca -0.17 -2.91 -0.29 0.00 -0.03 0.00 0.00 54.58 51.17 3h2s n ASN 152 Cb 0.53 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.19 3h2s n ASN 152 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3h2s s TRP 153 N 0.66 3.47 -0.03 3.10 1.48 -1.26 -0.89 118.94 125.47 3h2s s TRP 153 Ca 0.56 0.70 0.00 0.00 -1.06 0.00 0.00 56.10 56.31 3h2s s TRP 153 Cb 0.16 -2.15 0.03 0.00 -1.16 0.00 0.00 33.47 30.35 3h2s s TRP 153 CO -0.07 0.15 0.01 0.42 -4.06 0.00 0.00 176.95 173.41 3h2s s ILE 154 N -2.09 0.10 -0.15 0.66 1.01 0.12 0.32 121.20 121.17 3h2s s ILE 154 Ca 0.45 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 3h2s s ILE 154 Cb -0.11 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3h2s s ILE 154 CO 0.29 0.14 0.08 -0.83 0.00 0.00 0.00 174.94 174.62 3h2s s GLY 155 N 1.17 1.98 -0.11 6.18 0.00 -0.57 -0.13 107.32 115.84 3h2s s GLY 155 Ca -0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 3h2s s GLY 155 CO -0.02 -0.13 -0.06 -0.42 0.00 0.00 0.00 173.10 172.46 3h2s s ILE 156 N -0.16 0.92 -0.04 0.90 1.01 -0.09 -1.13 121.20 122.61 3h2s s ILE 156 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3h2s s ILE 156 Cb -0.12 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 3h2s s ILE 156 CO 0.01 0.33 0.29 -0.44 0.00 0.00 0.00 174.94 175.14 3h2s s SER 157 N 1.75 6.61 0.87 3.58 0.01 0.03 -0.59 113.70 125.96 3h2s s SER 157 Ca 0.05 0.73 -0.12 0.00 1.31 0.00 0.00 55.95 57.92 3h2s s SER 157 Cb -0.13 -2.16 0.11 0.00 0.21 0.00 0.00 66.02 64.06 3h2s s SER 157 CO -0.08 0.34 1.10 -2.84 0.41 0.00 0.00 173.24 172.17 3h2s s PRO 158 N -1.20 1.47 1.27 12.44 0.02 -1.26 -2.21 135.00 145.52 3h2s s PRO 158 Ca 0.22 0.71 -0.21 0.00 0.02 0.00 0.00 61.00 61.74 3h2s s PRO 158 Cb -0.14 -1.84 0.31 0.00 0.02 0.00 0.00 34.50 32.85 3h2s s PRO 158 CO 0.11 -2.07 1.08 -1.12 -0.33 0.00 0.00 177.00 174.67 3h2s s SER 159 N -3.62 0.34 0.36 2.53 0.01 -1.11 -4.36 113.70 107.85 3h2s s SER 159 Ca 0.63 0.61 0.07 0.00 1.31 0.00 0.00 55.95 58.56 3h2s s SER 159 Cb -0.17 -0.83 0.77 0.00 0.21 0.00 0.00 66.02 66.00 3h2s s SER 159 CO 0.56 -4.48 1.95 -0.08 0.41 0.00 0.00 173.24 171.60 3h2s h GLU 160 N -2.82 0.71 -5.48 12.44 4.81 -1.88 -3.39 114.58 118.96 3h2s h GLU 160 Ca -0.43 -0.04 -0.65 0.00 -0.13 0.00 0.00 59.36 58.10 3h2s h GLU 160 Cb 1.30 -0.16 -0.23 0.00 0.63 0.00 0.00 28.75 30.29 3h2s h GLU 160 CO 0.30 0.47 -0.71 0.00 -0.73 0.00 0.00 179.01 178.34 3h2s s ALA 161 N -5.66 2.85 -0.54 2.92 0.00 -0.38 -5.01 121.76 115.94 3h2s s ALA 161 Ca -0.10 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.07 3h2s s ALA 161 Cb 0.20 -1.36 0.33 0.00 0.00 0.00 0.00 23.12 22.29 3h2s s ALA 161 CO 0.77 0.30 0.88 0.34 0.00 0.00 0.00 175.76 178.05 3h2s n PHE 162 N 3.28 3.15 -1.66 0.00 7.35 -1.26 -0.80 117.46 127.52 3h2s n PHE 162 Ca -0.18 -3.97 -0.32 0.00 -0.76 0.00 0.00 57.45 52.22 3h2s n PHE 162 Cb 0.53 -0.48 0.05 0.00 0.35 0.00 0.00 39.48 39.93 3h2s n PHE 162 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3h2s s PRO 163 N -3.14 2.76 0.26 -7.13 0.04 -1.19 -4.71 135.00 121.89 3h2s s PRO 163 Ca 0.46 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 3h2s s PRO 163 Cb 0.28 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 3h2s s PRO 163 CO -0.12 -1.26 1.20 0.45 0.04 0.00 0.00 177.00 177.30 3h2s s SER 164 N -2.94 7.06 0.00 6.66 0.15 -1.26 -1.46 113.70 121.92 3h2s s SER 164 Ca 0.64 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.66 3h2s s SER 164 Cb -0.18 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 3h2s s SER 164 CO 0.46 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.17 3h2s n GLY 165 N 1.49 0.96 3.73 9.45 0.00 -1.26 -4.76 105.19 114.79 3h2s n GLY 165 Ca 0.01 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3h2s n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2s s PRO 166 N -2.00 1.65 0.42 1.61 0.04 -1.26 -0.73 135.00 134.72 3h2s s PRO 166 Ca 0.00 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 3h2s s PRO 166 Cb 0.00 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 3h2s s PRO 166 CO 0.00 -2.07 1.01 0.00 0.04 0.00 0.00 177.00 175.98 3h2s s ALA 167 N -2.84 3.04 0.00 8.56 0.00 -1.26 -4.41 121.76 124.85 3h2s s ALA 167 Ca 0.63 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3h2s s ALA 167 Cb -0.19 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3h2s s ALA 167 CO 0.57 -0.10 0.00 0.25 0.00 0.00 0.00 175.76 176.48 3h2s n THR 168 N -0.34 0.00 -3.71 0.00 -2.24 -1.26 -4.93 114.28 101.81 3h2s n THR 168 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 3h2s n THR 168 Cb 0.51 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 3h2s n THR 168 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3h2s s SER 169 N 1.00 -0.19 0.16 3.42 0.01 -1.26 -5.07 113.70 111.77 3h2s s SER 169 Ca 0.00 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.90 3h2s s SER 169 Cb 0.00 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 3h2s s SER 169 CO 0.00 -0.91 -0.15 -0.72 0.41 0.00 0.00 173.24 171.87 3h2s s TYR 170 N -3.84 1.63 -0.06 2.43 -0.85 -1.26 -0.87 117.35 114.52 3h2s s TYR 170 Ca 0.06 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 3h2s s TYR 170 Cb 0.01 -0.80 -0.03 0.00 0.38 0.00 0.00 41.96 41.53 3h2s s TYR 170 CO -0.08 0.27 -0.12 0.08 -1.52 0.00 0.00 175.55 174.17 3h2s s VAL 171 N -2.46 3.21 0.08 -3.49 1.01 0.31 -4.71 120.40 114.35 3h2s s VAL 171 Ca 0.16 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3h2s s VAL 171 Cb -0.03 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3h2s s VAL 171 CO 0.05 0.58 -0.13 0.00 0.00 0.00 0.00 175.10 175.60 3h2s s ALA 172 N -0.60 2.83 0.00 5.51 0.00 -1.26 -1.20 121.76 127.03 3h2s s ALA 172 Ca 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3h2s s ALA 172 Cb -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.17 3h2s s ALA 172 CO 0.01 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3h2s n GLY 173 N 1.00 5.57 0.00 0.00 0.00 0.50 -4.97 105.19 107.28 3h2s n GLY 173 Ca -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3h2s n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h2s n LYS 174 N 0.00 0.00 0.00 1.61 5.02 -1.26 -2.11 118.16 121.42 3h2s n LYS 174 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3h2s n LYS 174 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3h2s n LYS 174 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h2s n ASP 175 N -0.83 0.99 -4.44 4.39 8.00 -1.26 -3.15 116.55 120.25 3h2s n ASP 175 Ca 0.00 -1.11 -0.33 0.00 0.71 0.00 0.00 54.79 54.06 3h2s n ASP 175 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 3h2s n ASP 175 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h2s s THR 176 N -0.11 3.30 0.17 -3.53 2.01 -1.26 -0.29 115.64 115.92 3h2s s THR 176 Ca 0.00 -0.59 -0.33 0.00 0.31 0.00 0.00 61.69 61.08 3h2s s THR 176 Cb 0.00 -2.38 -0.16 0.00 0.01 0.00 0.00 72.50 69.97 3h2s s THR 176 CO 0.00 0.54 1.16 -0.11 -0.69 0.00 0.00 174.62 175.52 3h2s n LEU 177 N 3.16 1.49 -4.88 4.42 7.94 -0.04 -4.90 117.00 124.19 3h2s n LEU 177 Ca -0.18 1.14 -0.36 0.00 -1.11 0.00 0.00 56.01 55.50 3h2s n LEU 177 Cb 0.53 -1.21 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 3h2s n LEU 177 CO 0.30 -1.32 -0.16 -0.76 -1.11 0.00 0.00 177.39 174.34 3h2s s LEU 178 N 0.66 4.39 -0.06 -1.96 1.43 -1.26 -4.57 118.68 117.31 3h2s s LEU 178 Ca 0.73 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3h2s s LEU 178 Cb -0.86 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.19 3h2s s LEU 178 CO 0.52 0.38 -0.14 -0.69 0.23 0.00 0.00 176.35 176.65 3h2s s VAL 179 N -1.08 1.27 0.63 -1.59 1.01 -1.26 -4.43 120.40 114.94 3h2s s VAL 179 Ca 0.17 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3h2s s VAL 179 Cb -0.12 -1.13 0.13 0.00 0.00 0.00 0.00 36.38 35.26 3h2s s VAL 179 CO 0.07 0.38 0.86 0.61 0.00 0.00 0.00 175.10 177.02 3h2s n GLY 180 N 3.53 0.03 0.32 4.51 0.00 0.09 -4.91 105.19 108.75 3h2s n GLY 180 Ca -0.21 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.06 3h2s n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h2s h GLU 181 N 0.00 0.00 -0.05 1.61 4.81 -1.95 0.29 114.58 119.29 3h2s h GLU 181 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3h2s h GLU 181 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3h2s h GLU 181 CO 0.26 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.14 3h2s n ASP 182 N -3.71 0.61 -0.12 1.04 5.75 -1.26 -4.89 116.55 113.98 3h2s n ASP 182 Ca -0.01 -1.45 -0.02 0.00 -0.01 0.00 0.00 54.79 53.30 3h2s n ASP 182 Cb 0.17 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 3h2s n ASP 182 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h2s n GLY 183 N 0.95 0.42 3.74 6.12 0.00 0.09 -5.00 105.19 111.51 3h2s n GLY 183 Ca 0.17 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3h2s n GLY 183 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h2s s GLN 184 N -1.18 2.25 -0.30 1.61 -0.21 -1.26 -4.83 119.66 115.75 3h2s s GLN 184 Ca 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 53.59 3h2s s GLN 184 Cb 0.00 -2.02 0.09 0.00 1.00 0.00 0.00 33.01 32.08 3h2s s GLN 184 CO 0.00 -0.09 0.06 0.45 -2.12 0.00 0.00 175.29 173.60 3h2s s SER 185 N -3.90 4.05 0.00 5.90 0.15 -1.26 -0.73 113.70 117.90 3h2s s SER 185 Ca 0.41 -1.61 -0.14 0.00 0.70 0.00 0.00 55.95 55.31 3h2s s SER 185 Cb 0.03 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 3h2s s SER 185 CO 0.23 -0.38 0.30 -1.38 1.20 0.00 0.00 173.24 173.21 3h2s s HIS 186 N 1.48 -0.15 -0.03 3.44 -3.43 -1.26 -1.25 115.29 114.09 3h2s s HIS 186 Ca 0.07 0.18 -0.01 0.00 -0.80 0.00 0.00 55.06 54.50 3h2s s HIS 186 Cb -0.18 0.09 0.03 0.00 -1.43 0.00 0.00 32.58 31.09 3h2s s HIS 186 CO -0.18 -0.41 0.07 -1.50 -2.00 0.00 0.00 174.74 170.71 3h2s s ILE 187 N -1.63 -0.05 0.61 -5.38 1.10 0.02 -0.47 121.20 115.40 3h2s s ILE 187 Ca -0.12 0.18 -0.14 0.00 -0.51 0.00 0.00 60.65 60.06 3h2s s ILE 187 Cb -0.04 -0.13 -0.03 0.00 0.15 0.00 0.00 42.46 42.40 3h2s s ILE 187 CO 0.02 0.07 1.04 0.42 -2.11 0.00 0.00 174.94 174.38 3h2s s THR 188 N 0.96 4.17 0.35 4.00 -4.23 -1.26 -3.14 115.64 116.49 3h2s s THR 188 Ca -0.08 0.88 0.07 0.00 -1.18 0.00 0.00 61.69 61.38 3h2s s THR 188 Cb -0.11 -3.53 0.31 0.00 1.34 0.00 0.00 72.50 70.51 3h2s s THR 188 CO -0.04 -0.75 1.91 0.71 -0.54 0.00 0.00 174.62 175.91 3h2s h THR 189 N 0.07 0.93 -0.50 3.99 1.35 -1.38 -2.37 112.91 115.00 3h2s h THR 189 Ca -0.45 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 65.11 3h2s h THR 189 Cb 1.20 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 3h2s h THR 189 CO 0.59 0.14 0.16 1.23 -0.25 0.00 0.00 175.52 177.38 3h2s h GLY 190 N 0.75 0.83 -2.52 5.82 0.00 -1.15 -1.64 103.07 105.16 3h2s h GLY 190 Ca 0.39 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3h2s h GLY 190 CO -0.16 0.46 0.00 0.70 0.00 0.00 0.00 176.54 177.54 3h2s n ASN 191 N -4.50 2.70 0.00 0.19 3.02 -0.89 -1.61 115.26 114.16 3h2s n ASN 191 Ca 0.02 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 3h2s n ASN 191 Cb 0.19 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3h2s n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h2s n ALA 193 N 1.05 0.00 -0.06 5.41 0.00 -0.62 -1.21 120.51 125.08 3h2s n ALA 193 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3h2s n ALA 193 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 3h2s n ALA 193 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h2s h LEU 194 N 0.00 -0.42 -0.58 0.00 3.38 -1.58 -1.27 115.31 114.84 3h2s h LEU 194 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h2s h LEU 194 Cb 0.00 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3h2s h LEU 194 CO 0.00 -0.16 0.32 0.00 0.09 0.00 0.00 178.44 178.70 3h2s h ALA 195 N 1.13 0.74 -0.09 1.53 0.00 -1.46 0.92 119.26 122.04 3h2s h ALA 195 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h2s h ALA 195 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h2s h ALA 195 CO -0.32 0.25 0.05 0.82 0.00 0.00 0.00 179.25 180.05 3h2s h ILE 196 N 0.78 1.09 -0.11 0.00 2.04 -1.79 -2.20 117.51 117.32 3h2s h ILE 196 Ca 0.21 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3h2s h ILE 196 Cb 0.03 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3h2s h ILE 196 CO -0.03 0.08 -0.36 -0.07 0.00 0.00 0.00 178.15 177.76 3h2s h LEU 197 N 0.04 0.23 -0.35 1.44 -0.00 -1.13 -0.96 115.31 114.59 3h2s h LEU 197 Ca 0.03 -0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 3h2s h LEU 197 Cb 0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 3h2s h LEU 197 CO -0.00 0.59 0.20 0.44 -0.00 0.00 0.00 178.44 179.66 3h2s h ASP 198 N 0.20 0.33 -0.52 -0.43 3.32 -0.72 -0.90 116.42 117.69 3h2s h ASP 198 Ca 0.02 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3h2s h ASP 198 Cb 0.74 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3h2s h ASP 198 CO 0.06 0.24 0.07 1.56 -1.72 0.00 0.00 179.24 179.45 3h2s h GLN 199 N 0.41 0.86 -0.87 3.56 1.08 -0.85 0.35 115.11 119.65 3h2s h GLN 199 Ca 0.14 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3h2s h GLN 199 Cb 0.00 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.29 3h2s h GLN 199 CO -0.07 0.85 0.57 -0.07 -0.95 0.00 0.00 178.83 179.17 3h2s h LEU 200 N 0.74 0.96 0.06 1.46 4.07 -0.90 -0.26 115.31 121.43 3h2s h LEU 200 Ca 0.16 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.86 3h2s h LEU 200 Cb 0.42 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 3h2s h LEU 200 CO 0.01 0.67 -1.15 -0.33 -1.08 0.00 0.00 178.44 176.56 3h2s h GLU 201 N 1.12 0.13 -2.24 1.13 5.08 -1.06 -3.40 114.58 115.34 3h2s h GLU 201 Ca 0.34 -0.21 -0.56 0.00 -1.00 0.00 0.00 59.36 57.93 3h2s h GLU 201 Cb -0.04 0.08 -0.37 0.00 0.50 0.00 0.00 28.75 28.93 3h2s h GLU 201 CO -0.10 1.08 -0.95 0.72 -1.00 0.00 0.00 179.01 178.76 3h2s n HIS 202 N -3.42 -1.12 -1.95 4.33 8.25 0.10 -5.10 115.22 116.31 3h2s n HIS 202 Ca -0.05 -3.18 -0.42 0.00 -0.26 0.00 0.00 57.72 53.81 3h2s n HIS 202 Cb 0.98 0.32 -0.03 0.00 1.12 0.00 0.00 29.99 32.39 3h2s n HIS 202 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3h2s s PRO 203 N 0.05 4.16 -0.00 -0.41 0.02 -0.12 -4.37 135.00 134.34 3h2s s PRO 203 Ca 0.33 2.26 0.04 0.00 0.02 0.00 0.00 61.00 63.65 3h2s s PRO 203 Cb 0.04 -4.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.49 3h2s s PRO 203 CO -0.19 -0.88 0.13 -2.37 -0.33 0.00 0.00 177.00 173.36 3h2s n THR 204 N 5.51 0.00 -1.51 0.99 5.66 -1.26 -4.78 114.28 118.89 3h2s n THR 204 Ca 0.18 -0.26 0.01 0.00 -3.05 0.00 0.00 64.05 60.93 3h2s n THR 204 Cb 0.42 0.73 0.20 0.00 -1.55 0.00 0.00 70.33 70.14 3h2s n THR 204 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h2s n ALA 205 N -1.34 3.92 -1.70 1.79 0.00 -1.26 -5.01 120.51 116.91 3h2s n ALA 205 Ca 0.00 -3.20 -0.43 0.00 0.00 0.00 0.00 53.44 49.82 3h2s n ALA 205 Cb 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3h2s n ALA 205 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3h2s n ILE 206 N -1.12 0.23 -2.47 0.00 5.41 -1.26 -1.14 119.36 119.00 3h2s n ILE 206 Ca 0.26 -0.04 -0.18 0.00 1.00 0.00 0.00 62.75 63.78 3h2s n ILE 206 Cb 0.86 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 3h2s n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3h2s n ARG 207 N 4.98 -2.08 -4.18 0.38 1.74 0.15 -4.97 116.66 112.68 3h2s n ARG 207 Ca 0.17 0.86 -0.11 0.00 -0.77 0.00 0.00 57.85 58.00 3h2s n ARG 207 Cb 0.36 -5.38 -0.10 0.00 -1.02 0.00 0.00 32.46 26.32 3h2s n ARG 207 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3h2s s ASP 208 N -2.31 0.20 -0.09 0.55 -1.08 -0.29 -5.04 116.67 108.60 3h2s s ASP 208 Ca 0.06 -1.34 0.04 0.00 -0.52 0.00 0.00 52.55 50.80 3h2s s ASP 208 Cb -0.03 0.36 -0.01 0.00 -1.46 0.00 0.00 42.92 41.78 3h2s s ASP 208 CO 0.07 -0.81 -0.23 -0.60 0.52 0.00 0.00 175.17 174.13 3h2s s ARG 209 N -4.13 2.90 0.32 4.34 3.00 -1.26 -1.52 118.95 122.61 3h2s s ARG 209 Ca 0.35 -0.86 0.09 0.00 -1.00 0.00 0.00 55.73 54.31 3h2s s ARG 209 Cb 0.07 -2.30 -0.05 0.00 0.00 0.00 0.00 34.95 32.67 3h2s s ARG 209 CO 0.09 0.27 -0.01 0.96 0.00 0.00 0.00 175.30 176.61 3h2s s ILE 210 N 0.12 2.71 0.09 4.11 -4.36 -0.28 -4.62 121.20 118.97 3h2s s ILE 210 Ca -0.11 -2.01 0.09 0.00 -0.26 0.00 0.00 60.65 58.35 3h2s s ILE 210 Cb -0.16 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 3h2s s ILE 210 CO 0.06 -0.24 -0.23 0.54 0.24 0.00 0.00 174.94 175.31 3h2s s VAL 211 N -2.50 1.91 0.02 8.37 0.11 -0.90 -0.79 120.40 126.63 3h2s s VAL 211 Ca 0.34 -1.49 0.04 0.00 -2.93 0.00 0.00 61.98 57.94 3h2s s VAL 211 Cb -0.01 -1.69 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 3h2s s VAL 211 CO 0.19 0.11 -0.13 0.68 -3.33 0.00 0.00 175.10 172.62 3h2s s VAL 212 N -0.99 0.99 0.23 2.04 -7.23 -0.94 -0.37 120.40 114.13 3h2s s VAL 212 Ca 0.09 -0.84 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 3h2s s VAL 212 Cb -0.10 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 3h2s s VAL 212 CO 0.04 0.05 -0.03 0.00 -0.31 0.00 0.00 175.10 174.85 3h2s s ARG 213 N -0.89 1.34 0.42 4.82 1.70 -0.34 -2.76 118.95 123.23 3h2s s ARG 213 Ca 0.02 -1.66 -0.26 0.00 -0.47 0.00 0.00 55.73 53.35 3h2s s ARG 213 Cb -0.07 -0.74 -0.09 0.00 -0.57 0.00 0.00 34.95 33.48 3h2s s ARG 213 CO 0.01 -0.04 1.39 -0.51 -1.08 0.00 0.00 175.30 175.07 3h2s s ASP 214 N -3.31 6.14 0.85 -2.89 1.01 0.37 -0.53 116.67 118.31 3h2s s ASP 214 Ca 0.27 2.84 -0.12 0.00 0.71 0.00 0.00 52.55 56.24 3h2s s ASP 214 Cb 0.05 -2.65 0.10 0.00 1.01 0.00 0.00 42.92 41.43 3h2s s ASP 214 CO 0.08 -0.99 1.17 0.00 0.21 0.00 0.00 175.17 175.65 3h2s s ALA 215 N -1.21 2.34 -0.87 5.23 0.00 -0.05 -4.61 121.76 122.60 3h2s s ALA 215 Ca 0.58 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.97 3h2s s ALA 215 Cb -0.42 -2.98 0.06 0.00 0.00 0.00 0.00 23.12 19.78 3h2s s ALA 215 CO 0.55 -1.91 0.72 -0.25 0.00 0.00 0.00 175.76 174.86