#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 2.50 -0.09 3.15 1.01 0.74 -0.53 121.20 127.98 3h2s s ILE 3 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3h2s s ILE 3 Cb 0.00 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 3h2s s ILE 3 CO 0.00 0.51 0.43 0.00 0.00 0.00 0.00 174.94 175.88 3h2s s ALA 4 N 1.05 3.56 -0.22 9.38 0.00 -0.03 -0.61 121.76 134.90 3h2s s ALA 4 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3h2s s ALA 4 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.47 3h2s s ALA 4 CO -0.05 0.16 -0.12 0.08 0.00 0.00 0.00 175.76 175.84 3h2s s VAL 5 N 0.08 2.59 -0.01 0.00 1.01 -0.12 -0.99 120.40 122.95 3h2s s VAL 5 Ca 0.24 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 3h2s s VAL 5 Cb -0.15 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3h2s s VAL 5 CO 0.10 0.36 0.68 -0.76 0.00 0.00 0.00 175.10 175.48 3h2s s LEU 6 N 1.32 4.39 -0.48 3.92 1.02 -0.02 -1.48 118.68 127.36 3h2s s LEU 6 Ca 0.02 1.25 -0.01 0.00 0.02 0.00 0.00 54.13 55.41 3h2s s LEU 6 Cb -0.15 -3.06 0.00 0.00 0.02 0.00 0.00 46.19 43.00 3h2s s LEU 6 CO -0.08 0.00 0.08 0.61 0.02 0.00 0.00 176.35 176.99 3h2s n GLY 7 N 2.67 0.22 0.28 -3.19 0.00 -1.24 -0.72 105.19 103.21 3h2s n GLY 7 Ca -0.04 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 0.28 2.10 -0.00 4.61 0.00 -1.65 -1.40 119.26 123.20 3h2s h ALA 8 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h2s h ALA 8 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3h2s h ALA 8 CO 0.16 -0.13 -0.25 0.25 0.00 0.00 0.00 179.25 179.29 3h2s n THR 9 N -4.51 0.00 -0.97 0.00 -2.24 -1.26 -1.45 114.28 103.85 3h2s n THR 9 Ca -0.00 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.47 3h2s n THR 9 Cb 0.19 0.04 0.22 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.40 -2.75 0.07 3.38 0.00 -0.53 -4.69 105.19 102.08 3h2s n GLY 10 Ca 0.10 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.05 -0.10 1.61 3.08 -1.91 0.08 114.38 117.10 3h2s h ARG 11 Ca -0.36 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 3h2s h ARG 11 Cb 1.09 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3h2s h ARG 11 CO 0.23 0.27 -0.13 0.00 -1.07 0.00 0.00 179.97 179.27 3h2s h ALA 12 N 0.56 0.15 -0.69 0.04 0.00 -1.89 -3.08 119.26 114.35 3h2s h ALA 12 Ca -0.01 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.67 3h2s h ALA 12 Cb 0.35 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3h2s h ALA 12 CO 0.01 0.02 0.32 0.78 0.00 0.00 0.00 179.25 180.39 3h2s h GLY 13 N -0.17 1.02 1.78 0.00 0.00 -1.63 -0.72 103.07 103.35 3h2s h GLY 13 Ca 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3h2s h GLY 13 CO 0.03 0.03 -0.57 1.48 0.00 0.00 0.00 176.54 177.52 3h2s h SER 14 N 0.55 0.25 -0.27 0.19 4.64 0.20 -0.87 113.55 118.24 3h2s h SER 14 Ca 0.34 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.40 3h2s h SER 14 Cb 0.38 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3h2s h SER 14 CO -0.28 0.77 -0.27 0.00 -0.87 0.00 0.00 176.83 176.18 3h2s h ALA 15 N 1.24 0.84 -0.33 5.18 0.00 -1.32 -1.89 119.26 122.98 3h2s h ALA 15 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3h2s h ALA 15 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h2s h ALA 15 CO 0.09 0.64 -0.05 0.82 0.00 0.00 0.00 179.25 180.74 3h2s h ILE 16 N 0.66 1.27 -0.47 0.00 2.04 -0.64 -1.36 117.51 119.01 3h2s h ILE 16 Ca 0.08 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.88 3h2s h ILE 16 Cb 0.79 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3h2s h ILE 16 CO 0.06 0.35 0.30 0.58 0.00 0.00 0.00 178.15 179.44 3h2s h VAL 17 N 0.41 1.09 0.02 1.67 2.07 -1.06 0.83 116.25 121.28 3h2s h VAL 17 Ca 0.09 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3h2s h VAL 17 Cb 0.53 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3h2s h VAL 17 CO 0.03 0.11 -0.08 0.00 0.02 0.00 0.00 177.57 177.65 3h2s h ALA 18 N 1.19 -0.10 -0.67 1.67 0.00 -1.22 -0.81 119.26 119.33 3h2s h ALA 18 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3h2s h ALA 18 Cb -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h2s h ALA 18 CO -0.06 -0.58 0.19 1.49 0.00 0.00 0.00 179.25 180.29 3h2s h GLU 19 N -0.15 1.03 -0.47 0.00 4.57 -1.00 0.30 114.58 118.87 3h2s h GLU 19 Ca 0.02 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3h2s h GLU 19 Cb 0.18 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3h2s h GLU 19 CO -0.07 0.90 0.24 0.00 -1.18 0.00 0.00 179.01 178.90 3h2s h ALA 20 N 1.21 0.59 -0.41 2.92 0.00 -0.51 -0.95 119.26 122.11 3h2s h ALA 20 Ca 0.21 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3h2s h ALA 20 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3h2s h ALA 20 CO -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 179.25 178.98 3h2s h ARG 21 N 0.48 0.77 -0.99 0.00 3.08 -0.49 -0.79 114.38 116.44 3h2s h ARG 21 Ca 0.20 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3h2s h ARG 21 Cb 0.10 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3h2s h ARG 21 CO -0.13 0.89 0.65 -0.09 -1.07 0.00 0.00 179.97 180.21 3h2s h ARG 22 N 0.69 1.22 -0.32 0.04 2.43 -0.58 -2.18 114.38 115.69 3h2s h ARG 22 Ca 0.11 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3h2s h ARG 22 Cb 0.65 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3h2s h ARG 22 CO 0.05 0.81 0.00 0.54 -1.51 0.00 0.00 179.97 179.85 3h2s n ARG 23 N -4.45 1.78 -1.19 0.20 1.74 -0.39 -4.90 116.66 109.44 3h2s n ARG 23 Ca 0.13 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.01 3h2s n ARG 23 Cb 0.10 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.05 0.51 3.91 -0.13 0.00 -0.82 -5.03 105.19 104.69 3h2s n GLY 24 Ca 0.12 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 3.50 -0.15 1.61 3.76 -0.36 -5.02 115.29 116.63 3h2s s HIS 25 Ca 0.00 0.36 -0.26 0.00 -0.15 0.00 0.00 55.06 55.01 3h2s s HIS 25 Cb 0.00 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 3h2s s HIS 25 CO 0.00 0.50 0.86 -2.00 -0.85 0.00 0.00 174.74 173.25 3h2s s GLU 26 N -2.72 4.33 -0.11 1.40 2.12 -1.26 -4.33 118.70 118.13 3h2s s GLU 26 Ca 0.38 1.09 -0.03 0.00 0.36 0.00 0.00 54.97 56.76 3h2s s GLU 26 Cb -0.12 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 3h2s s GLU 26 CO 0.27 -0.31 0.00 0.08 -0.54 0.00 0.00 175.26 174.76 3h2s s VAL 27 N 2.06 4.30 -0.29 3.70 1.01 -1.26 -0.19 120.40 129.73 3h2s s VAL 27 Ca 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3h2s s VAL 27 Cb -0.17 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.42 3h2s s VAL 27 CO 0.14 0.57 -0.02 -0.22 0.00 0.00 0.00 175.10 175.56 3h2s s LEU 28 N -0.48 3.72 -0.35 3.92 2.96 0.22 -3.61 118.68 125.05 3h2s s LEU 28 Ca 0.09 -1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 52.62 3h2s s LEU 28 Cb -0.12 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 3h2s s LEU 28 CO 0.02 -0.23 0.46 0.00 -1.32 0.00 0.00 176.35 175.28 3h2s s ALA 29 N 1.25 3.48 -0.31 5.97 0.00 -0.11 -0.95 121.76 131.09 3h2s s ALA 29 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 3h2s s ALA 29 Cb -0.19 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3h2s s ALA 29 CO -0.02 -1.21 0.88 0.08 0.00 0.00 0.00 175.76 175.49 3h2s s VAL 30 N 2.26 4.71 0.11 0.00 1.01 -0.55 -0.36 120.40 127.57 3h2s s VAL 30 Ca 0.16 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 3h2s s VAL 30 Cb -0.16 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3h2s s VAL 30 CO 0.13 -0.32 0.01 0.68 0.00 0.00 0.00 175.10 175.60 3h2s s VAL 31 N 3.17 0.30 -0.24 2.92 -7.23 -0.24 -3.69 120.40 115.38 3h2s s VAL 31 Ca 0.36 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 3h2s s VAL 31 Cb -0.14 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 3h2s s VAL 31 CO 0.13 -0.67 0.23 -2.11 -0.31 0.00 0.00 175.10 172.37 3h2s n ARG 32 N -0.06 4.92 -3.79 4.82 1.85 -1.26 -2.25 116.66 120.89 3h2s n ARG 32 Ca -0.09 -0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.46 3h2s n ARG 32 Cb 0.63 -0.78 -0.14 0.00 -1.05 0.00 0.00 32.46 31.12 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 -1.58 3.96 0.27 2.89 -1.08 -1.26 -4.99 116.67 114.89 3h2s s ASP 33 Ca 0.02 -2.45 -0.01 0.00 -0.52 0.00 0.00 52.55 49.59 3h2s s ASP 33 Cb 0.04 -1.17 0.49 0.00 -1.46 0.00 0.00 42.92 40.82 3h2s s ASP 33 CO 0.23 -0.30 1.83 -0.65 0.52 0.00 0.00 175.17 176.80 3h2s h PRO 34 N 7.05 0.94 -0.56 4.34 0.11 -1.99 -1.46 132.00 140.43 3h2s h PRO 34 Ca -0.05 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 3h2s h PRO 34 Cb 0.95 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3h2s h PRO 34 CO 0.52 0.62 -0.10 0.37 -0.21 0.00 0.00 178.00 179.20 3h2s h GLN 35 N 0.96 1.05 -0.77 1.05 5.75 -1.99 0.10 115.11 121.27 3h2s h GLN 35 Ca 0.46 -0.38 0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3h2s h GLN 35 Cb 0.41 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 3h2s h GLN 35 CO -0.25 1.08 0.49 -0.22 -2.65 0.00 0.00 178.83 177.28 3h2s h LYS 36 N 0.94 0.94 -0.31 1.69 3.64 -1.90 -0.78 116.57 120.79 3h2s h LYS 36 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3h2s h LYS 36 Cb 0.67 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3h2s h LYS 36 CO 0.05 0.62 0.15 0.00 -2.27 0.00 0.00 179.45 177.99 3h2s h ALA 37 N 1.32 0.40 -0.55 5.00 0.00 -0.62 0.21 119.26 125.01 3h2s h ALA 37 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3h2s h ALA 37 Cb -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h2s h ALA 37 CO -0.10 -0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.47 3h2s h ALA 38 N 1.00 0.70 -0.22 0.00 0.00 -0.64 0.36 119.26 120.46 3h2s h ALA 38 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3h2s h ALA 38 Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h2s h ALA 38 CO -0.01 0.13 -0.37 0.38 0.00 0.00 0.00 179.25 179.37 3h2s h ASP 39 N 0.74 0.71 0.37 0.00 -0.00 -0.90 -2.66 116.42 114.67 3h2s h ASP 39 Ca 0.21 -0.53 -0.26 0.00 -0.00 0.00 0.00 57.03 56.45 3h2s h ASP 39 Cb -0.07 -0.20 -0.05 0.00 -0.00 0.00 0.00 39.33 39.01 3h2s h ASP 39 CO -0.05 1.10 -1.85 0.54 -0.00 0.00 0.00 179.24 178.98 3h2s n ARG 40 N -4.25 0.65 -0.08 4.15 1.74 0.70 -4.51 116.66 115.07 3h2s n ARG 40 Ca -0.05 0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 3h2s n ARG 40 Cb 0.52 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.86 1.12 0.00 0.55 4.77 0.08 -5.01 117.00 115.65 3h2s n LEU 41 Ca -0.19 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3h2s n LEU 41 Cb 0.99 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3h2s n LEU 41 CO 0.44 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3h2s n GLY 42 N 2.33 2.70 0.34 -0.72 0.00 -0.99 -4.65 105.19 104.20 3h2s n GLY 42 Ca -0.26 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 1.54 -0.00 4.61 0.00 -1.86 -2.48 119.26 121.08 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 -0.53 -0.46 2.41 0.00 0.00 0.00 179.25 180.67 3h2s n THR 44 N -2.82 0.00 -3.50 0.00 -1.04 -1.26 -4.85 114.28 100.81 3h2s n THR 44 Ca -0.01 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.05 61.61 3h2s n THR 44 Cb 0.55 0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 69.25 3h2s n THR 44 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3h2s s VAL 45 N -2.92 5.27 0.40 12.58 1.01 -0.93 -5.05 120.40 130.75 3h2s s VAL 45 Ca 0.13 0.53 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 3h2s s VAL 45 Cb 0.18 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3h2s s VAL 45 CO 0.67 0.31 1.45 0.00 0.00 0.00 0.00 175.10 177.54 3h2s s ALA 46 N 1.02 3.46 0.04 5.51 0.00 -1.24 -4.90 121.76 125.66 3h2s s ALA 46 Ca 0.15 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.70 3h2s s ALA 46 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 3h2s s ALA 46 CO 0.06 -1.07 -0.20 0.99 0.00 0.00 0.00 175.76 175.54 3h2s s THR 47 N -1.15 1.62 -0.25 0.00 2.01 -1.26 -0.94 115.64 115.67 3h2s s THR 47 Ca 0.55 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 61.40 3h2s s THR 47 Cb -0.45 -1.40 0.07 0.00 0.01 0.00 0.00 72.50 70.72 3h2s s THR 47 CO 0.60 0.21 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.50 3h2s s LEU 48 N -1.12 2.67 -0.70 4.42 0.20 0.51 -4.89 118.68 119.78 3h2s s LEU 48 Ca 0.07 -1.31 -0.22 0.00 0.69 0.00 0.00 54.13 53.37 3h2s s LEU 48 Cb -0.09 -1.16 0.08 0.00 -0.43 0.00 0.00 46.19 44.60 3h2s s LEU 48 CO 0.02 -0.27 0.97 -0.69 -0.29 0.00 0.00 176.35 176.08 3h2s s VAL 49 N 1.40 4.44 -0.21 1.68 1.01 -1.26 -1.08 120.40 126.38 3h2s s VAL 49 Ca -0.02 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3h2s s VAL 49 Cb -0.19 -4.69 0.09 0.00 0.00 0.00 0.00 36.38 31.60 3h2s s VAL 49 CO -0.09 -1.44 0.83 -0.75 0.00 0.00 0.00 175.10 173.66 3h2s s LYS 50 N 3.69 0.77 0.16 2.72 2.20 -0.96 -4.98 119.74 123.35 3h2s s LYS 50 Ca 0.23 0.62 -0.32 0.00 -0.36 0.00 0.00 55.97 56.15 3h2s s LYS 50 Cb -0.15 0.37 -0.11 0.00 -1.51 0.00 0.00 37.83 36.43 3h2s s LYS 50 CO 0.06 -0.15 1.68 -1.21 -0.36 0.00 0.00 175.35 175.37 3h2s s GLU 51 N -0.19 4.16 0.45 4.03 2.02 -1.26 -4.55 118.70 123.37 3h2s s GLU 51 Ca -0.02 2.50 0.19 0.00 0.02 0.00 0.00 54.97 57.65 3h2s s GLU 51 Cb -0.03 -3.25 1.15 0.00 0.10 0.00 0.00 34.13 32.10 3h2s s GLU 51 CO 0.01 -0.72 1.93 -1.35 0.02 0.00 0.00 175.26 175.16 3h2s h PRO 52 N 7.28 0.30 0.00 0.39 0.11 -1.98 -0.60 132.00 137.49 3h2s h PRO 52 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h2s h PRO 52 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h2s h PRO 52 CO 0.94 0.20 0.00 1.28 -0.21 0.00 0.00 178.00 180.20 3h2s n LEU 53 N -4.45 0.00 -0.51 2.35 4.32 -1.26 -2.43 117.00 115.02 3h2s n LEU 53 Ca 0.14 0.40 0.05 0.00 -0.02 0.00 0.00 56.01 56.58 3h2s n LEU 53 Cb 0.57 -0.40 0.09 0.00 -1.62 0.00 0.00 43.42 42.06 3h2s n LEU 53 CO 0.34 -0.09 0.51 1.33 -1.22 0.00 0.00 177.39 178.26 3h2s n VAL 54 N -1.40 0.46 -1.64 4.08 0.24 -0.24 -5.00 118.33 114.83 3h2s n VAL 54 Ca 0.08 -0.73 -0.44 0.00 -2.04 0.00 0.00 64.34 61.21 3h2s n VAL 54 Cb 0.22 0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 33.47 3h2s n VAL 54 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h2s n LEU 55 N 0.53 2.58 -4.80 1.34 4.32 -1.02 -5.00 117.00 114.96 3h2s n LEU 55 Ca 0.08 1.17 -0.22 0.00 -0.02 0.00 0.00 56.01 57.02 3h2s n LEU 55 Cb 0.33 -1.37 -0.05 0.00 -1.62 0.00 0.00 43.42 40.71 3h2s n LEU 55 CO 0.07 -0.91 -0.11 0.42 -1.22 0.00 0.00 177.39 175.65 3h2s s THR 56 N -0.73 2.76 0.25 -5.08 -4.23 -1.26 -5.03 115.64 102.32 3h2s s THR 56 Ca 0.62 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 3h2s s THR 56 Cb -0.67 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.39 3h2s s THR 56 CO 0.57 -0.07 1.86 -0.08 -0.54 0.00 0.00 174.62 176.36 3h2s h GLU 57 N 1.30 0.99 -0.55 3.99 4.81 -1.94 -2.37 114.58 120.81 3h2s h GLU 57 Ca -0.43 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 3h2s h GLU 57 Cb 1.26 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3h2s h GLU 57 CO 0.63 0.65 0.16 0.00 -0.73 0.00 0.00 179.01 179.72 3h2s h ALA 58 N 1.43 1.25 -0.49 2.92 0.00 -1.97 -1.18 119.26 121.23 3h2s h ALA 58 Ca 0.40 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3h2s h ALA 58 Cb 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h2s h ALA 58 CO -0.18 0.53 0.33 -0.44 0.00 0.00 0.00 179.25 179.49 3h2s h ASP 59 N 0.80 0.24 -0.07 0.00 3.32 -1.83 -2.97 116.42 115.92 3h2s h ASP 59 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3h2s h ASP 59 Cb 0.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3h2s h ASP 59 CO -0.01 0.15 0.00 0.18 -1.72 0.00 0.00 179.24 177.84 3h2s n LEU 60 N -4.46 2.59 0.01 1.55 4.77 -0.49 -4.63 117.00 116.33 3h2s n LEU 60 Ca 0.08 -1.08 0.13 0.00 -0.03 0.00 0.00 56.01 55.11 3h2s n LEU 60 Cb 0.37 -0.03 0.48 0.00 -2.33 0.00 0.00 43.42 41.91 3h2s n LEU 60 CO 0.35 0.47 0.78 -0.67 -1.33 0.00 0.00 177.39 176.99 3h2s n ASP 61 N 1.03 0.21 -0.09 -1.43 2.03 -0.90 -2.30 116.55 115.09 3h2s n ASP 61 Ca 0.11 0.25 0.13 0.00 0.52 0.00 0.00 54.79 55.80 3h2s n ASP 61 Cb 0.46 -0.25 0.39 0.00 -0.72 0.00 0.00 41.12 41.00 3h2s n ASP 61 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3h2s n SER 62 N -1.54 0.59 -4.87 1.67 3.41 -1.26 -4.94 113.62 106.67 3h2s n SER 62 Ca 0.06 -0.40 -0.35 0.00 -0.26 0.00 0.00 58.87 57.92 3h2s n SER 62 Cb 0.34 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.77 5.21 -0.13 -3.33 -7.23 -0.97 -4.75 120.40 106.43 3h2s s VAL 63 Ca 0.18 0.35 0.18 0.00 -1.81 0.00 0.00 61.98 60.89 3h2s s VAL 63 Cb 0.19 -3.60 -0.16 0.00 0.56 0.00 0.00 36.38 33.37 3h2s s VAL 63 CO 0.59 0.39 0.72 0.47 -0.31 0.00 0.00 175.10 176.96 3h2s n ASP 64 N 1.21 0.64 -3.79 4.85 9.92 0.32 -4.84 116.55 124.86 3h2s n ASP 64 Ca -0.11 0.28 -0.13 0.00 -0.53 0.00 0.00 54.79 54.30 3h2s n ASP 64 Cb 0.53 0.54 -0.09 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 -3.01 -0.68 -0.03 2.24 0.00 -1.00 -1.93 121.76 117.35 3h2s s ALA 65 Ca -0.04 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.21 3h2s s ALA 65 Cb 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3h2s s ALA 65 CO 0.82 -0.24 -0.18 0.08 0.00 0.00 0.00 175.76 176.25 3h2s s VAL 66 N -1.28 1.41 -0.14 0.00 1.01 0.44 -0.85 120.40 120.99 3h2s s VAL 66 Ca -0.13 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3h2s s VAL 66 Cb -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3h2s s VAL 66 CO 0.03 0.40 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 3h2s s VAL 67 N -0.23 2.21 -0.62 2.92 1.01 -0.16 -1.02 120.40 124.50 3h2s s VAL 67 Ca 0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 3h2s s VAL 67 Cb -0.09 -1.89 0.10 0.00 0.00 0.00 0.00 36.38 34.50 3h2s s VAL 67 CO 0.00 0.54 0.78 -0.62 0.00 0.00 0.00 175.10 175.81 3h2s s ASP 68 N 0.83 6.20 -0.22 3.32 -1.08 0.53 -0.84 116.67 125.42 3h2s s ASP 68 Ca -0.06 -1.37 0.14 0.00 -0.52 0.00 0.00 52.55 50.74 3h2s s ASP 68 Cb -0.15 -2.33 0.49 0.00 -1.46 0.00 0.00 42.92 39.46 3h2s s ASP 68 CO -0.02 -1.19 1.40 0.00 0.52 0.00 0.00 175.17 175.89 3h2s n ALA 69 N 6.64 3.42 -1.70 3.66 0.00 0.10 -2.52 120.51 130.12 3h2s n ALA 69 Ca -0.07 -2.69 -0.33 0.00 0.00 0.00 0.00 53.44 50.36 3h2s n ALA 69 Cb 0.43 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.01 3.57 0.33 0.00 1.43 -1.22 -4.57 118.68 115.22 3h2s s LEU 70 Ca 0.42 1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3h2s s LEU 70 Cb 0.36 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.04 3h2s s LEU 70 CO 0.04 -1.09 0.43 -0.55 0.23 0.00 0.00 176.35 175.41 3h2s s SER 71 N -2.61 0.92 -0.05 2.29 0.15 -1.26 -5.03 113.70 108.12 3h2s s SER 71 Ca 0.65 -1.48 0.02 0.00 0.70 0.00 0.00 55.95 55.83 3h2s s SER 71 Cb -0.16 0.63 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 3h2s s SER 71 CO 0.33 -1.24 -0.10 -0.69 1.20 0.00 0.00 173.24 172.75 3h2s s VAL 72 N -3.21 0.91 0.55 4.45 1.01 -1.26 -5.00 120.40 117.86 3h2s s VAL 72 Ca 0.32 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 3h2s s VAL 72 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3h2s s VAL 72 CO 0.20 0.30 1.35 -2.84 0.00 0.00 0.00 175.10 174.11 3h2s s PRO 73 N 0.51 3.09 0.55 2.72 0.02 -1.26 -4.97 135.00 135.67 3h2s s PRO 73 Ca -0.10 2.21 -0.21 0.00 0.02 0.00 0.00 61.00 62.93 3h2s s PRO 73 Cb -0.13 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 3h2s s PRO 73 CO 0.02 -1.22 1.31 -1.58 -0.33 0.00 0.00 177.00 175.20 3h2s s TRP 74 N -1.31 2.33 -1.25 6.54 0.52 -1.26 -3.02 118.94 121.49 3h2s s TRP 74 Ca 0.73 1.42 0.00 0.00 0.02 0.00 0.00 56.10 58.27 3h2s s TRP 74 Cb -0.40 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 3h2s s TRP 74 CO 0.47 -2.69 0.00 0.41 0.02 0.00 0.00 176.95 175.16 3h2s n GLY 75 N 0.70 1.21 0.12 0.98 0.00 -1.02 -4.84 105.19 102.34 3h2s n GLY 75 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.48 113.55 114.47 3h2s h SER 76 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3h2s h SER 76 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3h2s h SER 76 CO 0.35 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 3h2s n GLY 77 N 1.28 0.91 1.62 -0.77 0.00 -1.26 -4.92 105.19 102.05 3h2s n GLY 77 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.07 2.28 0.28 1.61 1.74 -1.26 -4.59 116.66 114.65 3h2s n ARG 78 Ca 0.00 -3.09 0.18 0.00 -0.77 0.00 0.00 57.85 54.17 3h2s n ARG 78 Cb 0.00 -1.99 0.97 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.25 0.00 1.77 -0.13 0.00 -1.90 -0.61 103.07 103.45 3h2s h GLY 79 Ca 0.36 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.70 3h2s h GLY 79 CO 0.67 0.00 0.10 0.10 0.00 0.00 0.00 176.54 177.41 3h2s h TYR 80 N 0.00 0.00 -0.09 5.60 -0.00 -1.86 -1.96 116.97 118.66 3h2s h TYR 80 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.72 3h2s h TYR 80 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.03 3h2s h TYR 80 CO 0.00 0.00 -0.14 -0.07 -0.00 0.00 0.00 178.16 177.95 3h2s h LEU 81 N 0.00 0.13 -0.80 0.10 3.38 -1.49 -0.29 115.31 116.34 3h2s h LEU 81 Ca 0.03 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3h2s h LEU 81 Cb 0.23 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3h2s h LEU 81 CO -0.00 0.29 0.37 0.45 0.09 0.00 0.00 178.44 179.64 3h2s h HIS 82 N 0.14 0.64 -0.00 1.13 3.86 -1.57 0.12 115.15 119.46 3h2s h HIS 82 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3h2s h HIS 82 Cb 0.33 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3h2s h HIS 82 CO 0.00 0.12 -0.02 1.25 0.86 0.00 0.00 177.93 180.15 3h2s h LEU 83 N 0.53 0.02 -0.98 2.43 5.85 -1.49 -3.19 115.31 118.48 3h2s h LEU 83 Ca 0.43 -0.75 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3h2s h LEU 83 Cb 0.63 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3h2s h LEU 83 CO -0.38 0.77 0.64 0.44 -0.34 0.00 0.00 178.44 179.57 3h2s h ASP 84 N -0.72 1.07 -0.56 1.25 3.32 -0.62 0.32 116.42 120.47 3h2s h ASP 84 Ca -0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3h2s h ASP 84 Cb 0.77 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3h2s h ASP 84 CO 0.00 0.73 0.03 -0.26 -1.72 0.00 0.00 179.24 178.02 3h2s h PHE 85 N 1.24 1.06 -0.40 4.55 0.04 -0.90 -1.82 116.94 120.70 3h2s h PHE 85 Ca 0.39 -0.17 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 3h2s h PHE 85 Cb 0.01 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3h2s h PHE 85 CO -0.00 0.95 -0.22 0.00 -0.60 0.00 0.00 178.31 178.43 3h2s h ALA 86 N 0.97 0.57 -0.42 2.45 0.00 -1.39 -1.37 119.26 120.07 3h2s h ALA 86 Ca 0.16 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3h2s h ALA 86 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h2s h ALA 86 CO 0.02 0.55 -0.22 1.79 0.00 0.00 0.00 179.25 181.39 3h2s h THR 87 N 0.67 1.27 -0.17 0.00 1.35 -0.90 -1.06 112.91 114.06 3h2s h THR 87 Ca 0.09 -1.35 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 3h2s h THR 87 Cb 0.79 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 3h2s h THR 87 CO 0.06 0.46 0.08 -0.74 -0.25 0.00 0.00 175.52 175.13 3h2s h HIS 88 N 0.74 0.26 -0.30 4.73 6.17 -1.29 -2.29 115.15 123.16 3h2s h HIS 88 Ca 0.10 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.18 3h2s h HIS 88 Cb 0.75 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.58 3h2s h HIS 88 CO 0.04 0.30 0.15 1.25 0.71 0.00 0.00 177.93 180.38 3h2s h LEU 89 N 0.14 0.22 -0.88 0.26 5.85 -1.02 -2.33 115.31 117.55 3h2s h LEU 89 Ca 0.06 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3h2s h LEU 89 Cb 0.15 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3h2s h LEU 89 CO -0.01 0.17 0.55 0.58 -0.34 0.00 0.00 178.44 179.38 3h2s h VAL 90 N 0.31 1.04 -0.08 1.05 2.07 -1.19 -0.97 116.25 118.48 3h2s h VAL 90 Ca 0.13 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3h2s h VAL 90 Cb 0.04 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3h2s h VAL 90 CO -0.09 0.18 0.11 0.77 0.02 0.00 0.00 177.57 178.56 3h2s h SER 91 N 0.98 0.00 0.60 0.57 4.64 -0.85 -1.34 113.55 118.16 3h2s h SER 91 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3h2s h SER 91 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3h2s h SER 91 CO -0.18 0.00 -0.53 0.18 -0.87 0.00 0.00 176.83 175.43 3h2s n LEU 92 N -3.64 0.52 -1.01 5.97 4.77 -0.38 -4.11 117.00 119.12 3h2s n LEU 92 Ca -0.01 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3h2s n LEU 92 Cb 0.21 -0.24 0.24 0.00 -2.33 0.00 0.00 43.42 41.30 3h2s n LEU 92 CO 0.25 0.08 0.71 0.18 -1.33 0.00 0.00 177.39 177.27 3h2s n LEU 93 N -1.65 3.47 -4.75 2.23 4.77 -0.51 -4.86 117.00 115.70 3h2s n LEU 93 Ca 0.05 -2.00 -0.41 0.00 -0.03 0.00 0.00 56.01 53.62 3h2s n LEU 93 Cb 0.36 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3h2s n LEU 93 CO 0.35 0.87 1.08 -0.13 -1.33 0.00 0.00 177.39 178.22 3h2s s ARG 94 N -1.00 4.29 -1.57 3.23 1.81 -1.23 -2.11 118.95 122.36 3h2s s ARG 94 Ca 0.37 2.27 -0.12 0.00 -1.72 0.00 0.00 55.73 56.53 3h2s s ARG 94 Cb 0.19 -3.11 0.09 0.00 -0.45 0.00 0.00 34.95 31.67 3h2s s ARG 94 CO 0.25 -0.37 0.71 0.09 -0.68 0.00 0.00 175.30 175.30 3h2s n ASN 95 N 2.17 -2.63 -4.22 0.23 3.02 -1.26 -4.99 115.26 107.58 3h2s n ASN 95 Ca 0.06 -0.96 -0.14 0.00 -0.03 0.00 0.00 54.58 53.51 3h2s n ASN 95 Cb 0.41 -3.09 -0.10 0.00 -0.61 0.00 0.00 39.78 36.39 3h2s n ASN 95 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h2s s SER 96 N -3.65 1.60 0.22 6.41 1.04 -0.90 -5.03 113.70 113.40 3h2s s SER 96 Ca 0.49 -0.96 0.25 0.00 0.48 0.00 0.00 55.95 56.21 3h2s s SER 96 Cb -0.26 0.01 0.59 0.00 0.10 0.00 0.00 66.02 66.46 3h2s s SER 96 CO 0.90 -0.33 1.61 0.44 0.98 0.00 0.00 173.24 176.83 3h2s h ASP 97 N 3.01 0.00 -1.72 7.02 3.32 -1.94 -3.43 116.42 122.69 3h2s h ASP 97 Ca -0.37 -0.05 -0.68 0.00 0.02 0.00 0.00 57.03 55.96 3h2s h ASP 97 Cb 1.19 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.79 3h2s h ASP 97 CO 0.61 0.03 0.52 0.41 -1.72 0.00 0.00 179.24 179.09 3h2s n THR 98 N -2.37 0.03 -2.79 0.35 -1.04 -1.26 -4.84 114.28 102.36 3h2s n THR 98 Ca 0.05 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 3h2s n THR 98 Cb 0.45 -0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 68.00 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 0.80 4.48 -0.16 -4.42 1.43 -0.81 -4.26 118.68 115.74 3h2s s LEU 99 Ca 0.85 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3h2s s LEU 99 Cb -0.94 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 41.81 3h2s s LEU 99 CO 0.48 -0.05 -0.10 0.00 0.23 0.00 0.00 176.35 176.91 3h2s s ALA 100 N 0.01 1.71 -0.20 4.21 0.00 -0.50 -0.42 121.76 126.57 3h2s s ALA 100 Ca 0.45 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 3h2s s ALA 100 Cb -0.23 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3h2s s ALA 100 CO 0.28 -0.60 0.10 0.08 0.00 0.00 0.00 175.76 175.61 3h2s s VAL 101 N 1.54 5.02 -0.20 0.00 1.01 -0.19 0.16 120.40 127.74 3h2s s VAL 101 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3h2s s VAL 101 Cb -0.14 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 3h2s s VAL 101 CO -0.09 0.43 -0.09 -0.36 0.00 0.00 0.00 175.10 174.99 3h2s s PHE 102 N 0.54 2.90 -0.18 5.22 0.08 0.32 -0.34 117.98 126.51 3h2s s PHE 102 Ca 0.05 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.74 3h2s s PHE 102 Cb -0.12 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 3h2s s PHE 102 CO 0.00 -0.57 1.15 0.42 -0.10 0.00 0.00 175.22 176.13 3h2s s ILE 103 N 1.29 4.48 0.00 0.64 1.01 -1.05 -1.48 121.20 126.09 3h2s s ILE 103 Ca 0.03 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.47 3h2s s ILE 103 Cb -0.14 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3h2s s ILE 103 CO -0.04 -0.13 0.00 0.18 0.00 0.00 0.00 174.94 174.94 3h2s n LEU 104 N 6.26 0.00 -4.69 2.97 4.77 0.16 -4.95 117.00 121.52 3h2s n LEU 104 Ca 0.13 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 3h2s n LEU 104 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3h2s n LEU 104 CO 0.54 -0.11 -0.22 -0.83 -1.33 0.00 0.00 177.39 175.44 3h2s s GLY 105 N -1.07 2.29 0.41 -0.72 0.00 -1.26 -4.27 107.32 102.69 3h2s s GLY 105 Ca 0.00 -2.10 0.23 0.00 0.00 0.00 0.00 44.72 42.85 3h2s s GLY 105 CO 0.00 -1.94 1.53 1.48 0.00 0.00 0.00 173.10 174.18 3h2s h SER 106 N 1.59 0.00 0.64 1.64 4.64 -1.86 -3.33 113.55 116.87 3h2s h SER 106 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3h2s h SER 106 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3h2s h SER 106 CO 0.71 0.02 -0.01 0.00 -0.87 0.00 0.00 176.83 176.67 3h2s h ALA 107 N 1.98 1.02 -0.01 5.18 0.00 -1.93 -0.68 119.26 124.82 3h2s h ALA 107 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h2s h ALA 107 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3h2s h ALA 107 CO 0.00 0.02 -0.07 -1.13 0.00 0.00 0.00 179.25 178.07 3h2s n SER 108 N -3.13 0.88 -4.88 0.00 3.41 -1.25 -1.95 113.62 106.71 3h2s n SER 108 Ca -0.01 -1.08 -0.30 0.00 -0.26 0.00 0.00 58.87 57.22 3h2s n SER 108 Cb 0.23 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.19 3.86 0.00 1.04 1.43 -0.26 -4.44 118.68 118.11 3h2s s LEU 109 Ca 0.36 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 3h2s s LEU 109 Cb 0.21 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3h2s s LEU 109 CO 0.40 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.61 3h2s n ALA 110 N -1.23 0.00 -2.61 4.21 0.00 0.08 -4.49 120.51 116.47 3h2s n ALA 110 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 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 3.96 0.00 0.00 0.02 -1.26 -0.91 135.00 136.81 3h2s s PRO 112 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.57 3h2s s PRO 112 Cb 0.00 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.79 3h2s s PRO 112 CO 0.00 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3h2s n GLY 113 N 4.22 3.41 3.88 0.52 0.00 -1.26 -5.05 105.19 110.91 3h2s n GLY 113 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.99 3.13 -0.20 4.61 0.00 -1.26 -5.01 121.76 120.05 3h2s s ALA 114 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 51.96 51.88 3h2s s ALA 114 Cb 0.00 -2.96 0.53 0.00 0.00 0.00 0.00 23.12 20.69 3h2s s ALA 114 CO 0.00 -0.70 1.44 -0.40 0.00 0.00 0.00 175.76 176.09 3h2s n ASP 115 N -2.69 3.64 -3.61 0.00 5.75 -1.26 -4.86 116.55 113.52 3h2s n ASP 115 Ca 0.05 -3.16 -0.14 0.00 -0.01 0.00 0.00 54.79 51.54 3h2s n ASP 115 Cb 0.55 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 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 -2.91 -0.39 0.00 2.11 -3.43 -1.26 -5.06 115.29 104.34 3h2s s HIS 116 Ca 0.43 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.16 3h2s s HIS 116 Cb 0.35 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.80 3h2s s HIS 116 CO 0.07 -0.60 0.00 -2.30 -2.00 0.00 0.00 174.74 169.91 3h2s n PRO 117 N 0.57 2.45 0.00 -0.38 -0.02 -1.26 -3.98 135.00 132.38 3h2s n PRO 117 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3h2s n PRO 117 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 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 -0.18 0.00 0.29 4.25 3.06 -0.82 -4.29 119.36 121.66 3h2s n ILE 119 Ca 0.00 0.00 0.18 0.00 -2.50 0.00 0.00 62.75 60.43 3h2s n ILE 119 Cb 0.00 0.00 0.82 0.00 0.54 0.00 0.00 39.64 41.00 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 -1.25 9.51 3.38 -1.93 -2.50 115.31 122.52 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 0.04 -0.31 0.47 0.09 0.00 0.00 178.44 178.73 3h2s n ASP 121 N -3.20 2.23 -4.75 -0.43 8.00 -1.26 -4.97 116.55 112.17 3h2s n ASP 121 Ca -0.01 -1.61 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 3h2s n ASP 121 Cb 0.24 0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.36 2.75 -0.59 1.24 3.72 -0.95 -4.98 117.46 119.01 3h2s n PHE 122 Ca 0.10 0.45 -0.28 0.00 -0.05 0.00 0.00 57.45 57.67 3h2s n PHE 122 Cb 0.48 -2.50 0.25 0.00 -0.94 0.00 0.00 39.48 36.76 3h2s n PHE 122 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3h2s s PRO 123 N -1.80 -0.87 0.42 -1.08 0.04 -1.26 -4.92 135.00 125.53 3h2s s PRO 123 Ca 0.56 0.81 0.13 0.00 0.04 0.00 0.00 61.00 62.54 3h2s s PRO 123 Cb -0.51 -1.56 0.90 0.00 0.04 0.00 0.00 34.50 33.37 3h2s s PRO 123 CO 0.61 -3.68 1.94 1.49 0.04 0.00 0.00 177.00 177.40 3h2s h GLU 124 N -2.59 0.03 0.00 4.56 4.81 -2.01 -2.40 114.58 116.98 3h2s h GLU 124 Ca -0.61 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.60 3h2s h GLU 124 Cb 1.33 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 3h2s h GLU 124 CO 0.51 0.26 -0.05 0.66 -0.73 0.00 0.00 179.01 179.66 3h2s h SER 125 N 0.03 0.00 -0.87 1.04 4.64 -2.03 -2.88 113.55 113.48 3h2s h SER 125 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.48 3h2s h SER 125 Cb 0.42 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.44 3h2s h SER 125 CO 0.03 0.05 0.57 0.00 -0.87 0.00 0.00 176.83 176.61 3h2s h ALA 126 N 1.95 1.92 0.00 5.18 0.00 -1.78 -1.22 119.26 125.31 3h2s h ALA 126 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h2s h ALA 126 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h2s h ALA 126 CO 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.09 3h2s n ALA 127 N -2.46 1.44 0.94 0.00 0.00 -1.09 -0.24 120.51 119.12 3h2s n ALA 127 Ca 0.17 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.79 3h2s n ALA 127 Cb 0.51 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.94 0.47 -4.76 0.00 7.64 -0.46 -4.86 113.62 109.72 3h2s n SER 128 Ca 0.01 -0.13 -0.40 0.00 1.01 0.00 0.00 58.87 59.37 3h2s n SER 128 Cb 0.14 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 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 -3.02 4.78 0.49 1.43 -1.52 0.67 -4.95 119.66 117.54 3h2s s GLN 129 Ca 0.11 1.41 0.33 0.00 -1.95 0.00 0.00 55.36 55.26 3h2s s GLN 129 Cb 0.17 -3.24 1.62 0.00 -0.22 0.00 0.00 33.01 31.34 3h2s s GLN 129 CO 0.69 0.51 2.00 -1.35 -0.25 0.00 0.00 175.29 176.89 3h2s h PRO 130 N 4.12 0.00 0.00 2.91 0.11 -1.90 -1.70 132.00 135.54 3h2s h PRO 130 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h2s h PRO 130 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h2s h PRO 130 CO 0.67 0.00 -0.22 0.11 -0.21 0.00 0.00 178.00 178.36 3h2s h TRP 131 N 0.00 0.00 -0.13 0.65 5.08 -1.92 -2.71 115.95 116.92 3h2s h TRP 131 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3h2s h TRP 131 Cb 0.20 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.35 3h2s h TRP 131 CO 0.00 0.00 -0.01 -0.92 -1.28 0.00 0.00 178.44 176.23 3h2s h TYR 132 N 0.00 0.25 -0.47 0.12 3.20 -1.56 -2.17 116.97 116.34 3h2s h TYR 132 Ca 0.00 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.90 3h2s h TYR 132 Cb 0.80 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.91 3h2s h TYR 132 CO 0.00 0.48 -0.44 0.22 -1.64 0.00 0.00 178.16 176.78 3h2s h ASP 133 N -0.05 -1.49 -0.54 -2.11 3.58 -1.78 0.19 116.42 114.21 3h2s h ASP 133 Ca 0.03 0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.72 3h2s h ASP 133 Cb 0.38 0.66 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 3h2s h ASP 133 CO 0.01 -0.36 0.36 1.23 -2.88 0.00 0.00 179.24 177.60 3h2s h GLY 134 N -0.29 0.76 0.74 -0.78 0.00 -1.83 -2.23 103.07 99.44 3h2s h GLY 134 Ca 0.15 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3h2s h GLY 134 CO -0.62 0.28 0.10 0.00 0.00 0.00 0.00 176.54 176.30 3h2s h ALA 135 N 1.20 0.35 -0.07 3.60 0.00 -0.62 -0.21 119.26 123.50 3h2s h ALA 135 Ca 0.20 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3h2s h ALA 135 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h2s h ALA 135 CO -0.04 -0.30 -0.07 1.25 0.00 0.00 0.00 179.25 180.09 3h2s h LEU 136 N 0.24 -0.21 -1.37 0.00 5.85 -0.52 -1.33 115.31 117.97 3h2s h LEU 136 Ca 0.14 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3h2s h LEU 136 Cb 0.11 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3h2s h LEU 136 CO -0.14 -0.10 -0.24 1.88 -0.34 0.00 0.00 178.44 179.50 3h2s h TYR 137 N -0.08 0.00 0.00 1.25 -1.99 -1.14 -0.61 116.97 114.40 3h2s h TYR 137 Ca 0.05 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.62 3h2s h TYR 137 Cb 0.16 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 3h2s h TYR 137 CO -0.17 0.24 -0.77 1.96 -0.00 0.00 0.00 178.16 179.42 3h2s h GLN 138 N 0.00 0.00 -0.38 4.88 4.20 -0.81 0.13 115.11 123.13 3h2s h GLN 138 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3h2s h GLN 138 Cb 0.63 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3h2s h GLN 138 CO 0.03 0.77 0.08 -0.92 -0.67 0.00 0.00 178.83 178.12 3h2s h TYR 139 N 0.00 0.66 -0.73 2.96 3.20 -0.53 -1.41 116.97 121.12 3h2s h TYR 139 Ca -0.01 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 3h2s h TYR 139 Cb 1.47 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 3h2s h TYR 139 CO 0.00 0.65 0.43 1.88 -1.64 0.00 0.00 178.16 179.49 3h2s h TYR 140 N 0.48 0.97 -0.62 -3.82 0.05 -0.99 -1.11 116.97 111.92 3h2s h TYR 140 Ca 0.12 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.96 3h2s h TYR 140 Cb 0.34 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 37.70 3h2s h TYR 140 CO 0.02 0.66 0.30 1.49 -1.05 0.00 0.00 178.16 179.58 3h2s h GLU 141 N 1.00 0.53 -0.42 4.88 4.81 -0.58 0.39 114.58 125.19 3h2s h GLU 141 Ca 0.26 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3h2s h GLU 141 Cb -0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3h2s h GLU 141 CO -0.05 0.35 0.25 -0.92 -0.73 0.00 0.00 179.01 177.91 3h2s h TYR 142 N 0.55 0.57 -0.50 0.92 5.03 -0.80 -0.48 116.97 122.26 3h2s h TYR 142 Ca 0.29 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.57 3h2s h TYR 142 Cb 0.26 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 3h2s h TYR 142 CO -0.11 0.41 0.21 1.96 -1.32 0.00 0.00 178.16 179.31 3h2s h GLN 143 N 0.56 0.74 -0.58 1.82 4.20 -0.50 -2.83 115.11 118.51 3h2s h GLN 143 Ca 0.15 -0.13 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3h2s h GLN 143 Cb 0.02 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 3h2s h GLN 143 CO -0.03 0.64 0.31 0.35 -0.67 0.00 0.00 178.83 179.43 3h2s h PHE 144 N 0.66 0.56 -1.00 2.96 3.57 0.20 -2.50 116.94 121.40 3h2s h PHE 144 Ca 0.17 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.82 3h2s h PHE 144 Cb 0.17 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.66 3h2s h PHE 144 CO 0.00 0.27 0.63 -0.07 -2.23 0.00 0.00 178.31 176.91 3h2s h LEU 145 N 0.58 0.90 -5.35 0.59 3.38 -0.85 -3.35 115.31 111.22 3h2s h LEU 145 Ca 0.26 0.06 -0.28 0.00 0.09 0.00 0.00 57.88 58.01 3h2s h LEU 145 Cb 0.16 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3h2s h LEU 145 CO -0.17 0.45 1.97 0.00 0.09 0.00 0.00 178.44 180.78 3h2s n GLN 146 N -4.64 1.62 -1.77 1.13 6.02 -0.94 -4.71 117.38 114.09 3h2s n GLN 146 Ca 0.20 -1.16 -0.09 0.00 -0.01 0.00 0.00 57.00 55.94 3h2s n GLN 146 Cb 0.40 -2.27 0.01 0.00 1.02 0.00 0.00 30.24 29.40 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 4.06 -2.28 0.06 1.08 4.13 -1.26 -5.09 115.26 115.96 3h2s n ASN 148 Ca 0.35 0.03 0.13 0.00 1.68 0.00 0.00 54.58 56.77 3h2s n ASN 148 Cb 0.17 -0.61 0.48 0.00 -1.54 0.00 0.00 39.78 38.28 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 0.32 2.19 -0.93 5.41 0.00 -1.26 -3.49 120.51 122.75 3h2s n ALA 149 Ca -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.47 3h2s n ALA 149 Cb 0.23 -1.45 0.19 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.94 3.03 -4.35 0.00 3.02 -1.26 -4.98 115.26 108.79 3h2s n ASN 150 Ca 0.06 -2.94 -0.30 0.00 -0.03 0.00 0.00 54.58 51.37 3h2s n ASN 150 Cb 0.36 -0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 38.94 3h2s n ASN 150 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h2s s VAL 151 N -2.65 2.13 -1.30 2.41 1.01 -1.23 -4.65 120.40 116.13 3h2s s VAL 151 Ca 0.34 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 3h2s s VAL 151 Cb 0.28 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3h2s s VAL 151 CO 0.06 0.31 2.79 0.59 0.00 0.00 0.00 175.10 178.85 3h2s n ASN 152 N 1.63 8.06 -4.86 3.32 3.02 -1.26 -4.70 115.26 120.47 3h2s n ASN 152 Ca -0.17 -2.83 -0.32 0.00 -0.03 0.00 0.00 54.58 51.23 3h2s n ASN 152 Cb 0.52 -1.45 -0.05 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 0.52 3.40 -0.03 3.10 1.48 -1.26 -1.42 118.94 124.74 3h2s s TRP 153 Ca 0.63 1.08 0.02 0.00 -1.06 0.00 0.00 56.10 56.76 3h2s s TRP 153 Cb 0.21 -2.43 0.01 0.00 -1.16 0.00 0.00 33.47 30.10 3h2s s TRP 153 CO -0.08 0.13 -0.06 0.42 -4.06 0.00 0.00 176.95 173.29 3h2s s ILE 154 N -1.98 0.61 -0.15 0.66 1.01 0.12 0.64 121.20 122.11 3h2s s ILE 154 Ca 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.90 3h2s s ILE 154 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 3h2s s ILE 154 CO 0.20 0.21 -0.04 -0.83 0.00 0.00 0.00 174.94 174.48 3h2s s GLY 155 N 0.44 1.72 -0.15 6.18 0.00 -0.27 -0.52 107.32 114.72 3h2s s GLY 155 Ca -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.83 3h2s s GLY 155 CO 0.00 -0.12 -0.07 -0.42 0.00 0.00 0.00 173.10 172.49 3h2s s ILE 156 N 0.26 1.16 -0.05 0.90 1.01 -0.55 -0.77 121.20 123.17 3h2s s ILE 156 Ca -0.03 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3h2s s ILE 156 Cb -0.14 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3h2s s ILE 156 CO 0.03 0.26 0.35 -0.44 0.00 0.00 0.00 174.94 175.14 3h2s s SER 157 N 1.63 6.69 0.71 3.58 0.01 0.28 -0.67 113.70 125.93 3h2s s SER 157 Ca 0.03 0.81 -0.11 0.00 1.31 0.00 0.00 55.95 57.99 3h2s s SER 157 Cb -0.14 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.89 3h2s s SER 157 CO -0.08 0.29 1.07 -2.16 0.41 0.00 0.00 173.24 172.76 3h2s s PRO 158 N -0.76 2.78 1.31 12.44 0.04 -1.26 -2.49 135.00 147.05 3h2s s PRO 158 Ca 0.21 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 3h2s s PRO 158 Cb -0.15 -1.97 0.33 0.00 0.04 0.00 0.00 34.50 32.75 3h2s s PRO 158 CO 0.10 -1.22 0.75 0.43 0.04 0.00 0.00 177.00 177.10 3h2s n SER 159 N -3.21 -3.89 -0.27 6.66 7.64 -1.06 -4.33 113.62 115.15 3h2s n SER 159 Ca 0.08 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3h2s n SER 159 Cb 0.54 -0.89 0.13 0.00 -1.01 0.00 0.00 64.21 62.97 3h2s n SER 159 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3h2s h GLU 160 N 0.00 0.75 -5.86 1.43 4.81 -1.89 -3.41 114.58 110.41 3h2s h GLU 160 Ca -0.34 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.18 3h2s h GLU 160 Cb 1.14 -0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.18 3h2s h GLU 160 CO 0.20 0.50 -0.65 0.00 -0.73 0.00 0.00 179.01 178.33 3h2s s ALA 161 N -6.07 3.16 -0.50 2.92 0.00 -0.57 -5.00 121.76 115.71 3h2s s ALA 161 Ca -0.13 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.09 3h2s s ALA 161 Cb 0.18 -1.45 0.34 0.00 0.00 0.00 0.00 23.12 22.18 3h2s s ALA 161 CO 0.77 0.50 0.85 0.34 0.00 0.00 0.00 175.76 178.22 3h2s n PHE 162 N 2.48 2.47 -1.77 0.00 7.35 -1.26 -0.73 117.46 126.00 3h2s n PHE 162 Ca -0.18 -3.93 -0.33 0.00 -0.76 0.00 0.00 57.45 52.25 3h2s n PHE 162 Cb 0.53 -0.46 0.05 0.00 0.35 0.00 0.00 39.48 39.95 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 -2.98 2.79 0.28 -7.13 0.04 -1.19 -4.69 135.00 122.12 3h2s s PRO 163 Ca 0.45 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 3h2s s PRO 163 Cb 0.30 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.80 3h2s s PRO 163 CO -0.11 -1.27 1.24 0.45 0.04 0.00 0.00 177.00 177.35 3h2s s SER 164 N -2.48 6.96 0.00 6.66 0.15 -1.26 -1.36 113.70 122.37 3h2s s SER 164 Ca 0.68 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.81 3h2s s SER 164 Cb -0.21 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 3h2s s SER 164 CO 0.41 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3h2s n GLY 165 N 1.33 0.98 3.81 9.45 0.00 -1.26 -4.76 105.19 114.74 3h2s n GLY 165 Ca 0.01 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 2.59 0.33 1.61 0.04 -1.26 -0.88 135.00 135.44 3h2s s PRO 166 Ca 0.00 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 3h2s s PRO 166 Cb 0.00 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3h2s s PRO 166 CO 0.00 -1.32 1.32 0.00 0.04 0.00 0.00 177.00 177.04 3h2s s ALA 167 N -3.07 3.50 0.00 8.56 0.00 -1.26 -4.29 121.76 125.20 3h2s s ALA 167 Ca 0.59 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3h2s s ALA 167 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3h2s s ALA 167 CO 0.55 -0.67 0.00 0.25 0.00 0.00 0.00 175.76 175.89 3h2s n THR 168 N 0.80 0.00 -3.83 0.00 -2.24 -1.26 -4.92 114.28 102.83 3h2s n THR 168 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3h2s n THR 168 Cb 0.42 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.53 -0.11 0.23 3.42 0.01 -1.26 -5.07 113.70 111.45 3h2s s SER 169 Ca 0.00 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.69 3h2s s SER 169 Cb 0.00 0.50 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 3h2s s SER 169 CO 0.00 -0.95 -0.11 -0.72 0.41 0.00 0.00 173.24 171.87 3h2s s TYR 170 N -3.90 1.76 -0.09 2.43 -0.85 -1.26 -0.77 117.35 114.66 3h2s s TYR 170 Ca 0.12 -0.64 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 3h2s s TYR 170 Cb 0.01 -0.89 -0.01 0.00 0.38 0.00 0.00 41.96 41.44 3h2s s TYR 170 CO -0.03 0.30 -0.17 0.08 -1.52 0.00 0.00 175.55 174.21 3h2s s VAL 171 N -3.02 2.72 0.02 -3.49 1.01 -0.11 -4.66 120.40 112.87 3h2s s VAL 171 Ca 0.25 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3h2s s VAL 171 Cb 0.01 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3h2s s VAL 171 CO 0.08 0.55 0.05 0.00 0.00 0.00 0.00 175.10 175.78 3h2s s ALA 172 N -0.01 3.45 0.00 5.51 0.00 -1.26 -1.22 121.76 128.22 3h2s s ALA 172 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3h2s s ALA 172 Cb -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3h2s s ALA 172 CO 0.04 0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.90 3h2s n GLY 173 N 1.09 5.71 0.00 0.00 0.00 0.13 -4.97 105.19 107.15 3h2s n GLY 173 Ca -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.93 118.16 121.60 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 -1.02 1.17 -4.37 4.39 8.00 -1.26 -3.27 116.55 120.18 3h2s n ASP 175 Ca 0.00 -1.29 -0.32 0.00 0.71 0.00 0.00 54.79 53.89 3h2s n ASP 175 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 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 -0.29 2.71 0.18 -3.53 2.01 -1.26 -0.74 115.64 114.72 3h2s s THR 176 Ca 0.00 -0.82 -0.33 0.00 0.31 0.00 0.00 61.69 60.85 3h2s s THR 176 Cb 0.00 -2.06 -0.15 0.00 0.01 0.00 0.00 72.50 70.30 3h2s s THR 176 CO 0.00 0.56 1.22 -0.11 -0.69 0.00 0.00 174.62 175.61 3h2s n LEU 177 N 2.90 1.88 -4.84 4.42 7.94 -0.09 -4.90 117.00 124.32 3h2s n LEU 177 Ca -0.18 1.14 -0.37 0.00 -1.11 0.00 0.00 56.01 55.50 3h2s n LEU 177 Cb 0.52 -1.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.14 3h2s n LEU 177 CO 0.27 -1.11 -0.19 -0.76 -1.11 0.00 0.00 177.39 174.49 3h2s s LEU 178 N 0.54 4.26 -0.07 -1.96 1.43 -1.26 -4.47 118.68 117.14 3h2s s LEU 178 Ca 0.72 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 3h2s s LEU 178 Cb -0.81 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.38 3h2s s LEU 178 CO 0.51 0.39 -0.17 -0.69 0.23 0.00 0.00 176.35 176.62 3h2s s VAL 179 N -0.89 1.52 0.30 -1.59 1.01 -1.26 -4.39 120.40 115.10 3h2s s VAL 179 Ca 0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3h2s s VAL 179 Cb -0.12 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.99 3h2s s VAL 179 CO 0.03 0.44 0.41 0.61 0.00 0.00 0.00 175.10 176.59 3h2s n GLY 180 N 3.58 -0.29 0.07 4.51 0.00 -0.05 -4.92 105.19 108.10 3h2s n GLY 180 Ca -0.21 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.09 3h2s n GLY 180 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h2s n GLU 181 N -1.82 0.13 0.00 1.61 2.13 -1.26 -1.16 120.64 120.26 3h2s n GLU 181 Ca 0.06 0.28 0.14 0.00 0.66 0.00 0.00 57.16 58.30 3h2s n GLU 181 Cb 0.21 -1.70 0.66 0.00 0.27 0.00 0.00 31.44 30.88 3h2s n GLU 181 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3h2s n ASP 182 N -1.93 0.47 0.00 4.31 5.68 -1.26 -4.91 116.55 118.91 3h2s n ASP 182 Ca 0.04 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.63 3h2s n ASP 182 Cb 0.27 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3h2s n ASP 182 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h2s n GLY 183 N 1.23 0.66 3.77 6.12 0.00 -0.31 -5.03 105.19 111.64 3h2s n GLY 183 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.03 2.42 -0.26 1.61 -0.21 -1.26 -4.82 119.66 117.11 3h2s s GLN 184 Ca 0.00 -1.57 0.01 0.00 0.02 0.00 0.00 55.36 53.82 3h2s s GLN 184 Cb 0.00 -2.21 0.07 0.00 1.00 0.00 0.00 33.01 31.87 3h2s s GLN 184 CO 0.00 0.02 -0.02 0.45 -2.12 0.00 0.00 175.29 173.62 3h2s s SER 185 N -3.92 4.00 -0.01 5.90 0.15 -1.26 -0.87 113.70 117.69 3h2s s SER 185 Ca 0.40 -1.36 -0.19 0.00 0.70 0.00 0.00 55.95 55.50 3h2s s SER 185 Cb -0.02 -1.20 0.04 0.00 -1.71 0.00 0.00 66.02 63.12 3h2s s SER 185 CO 0.24 -0.28 0.41 -1.38 1.20 0.00 0.00 173.24 173.44 3h2s s HIS 186 N 1.35 -0.30 -0.01 3.44 -3.43 -1.26 -1.51 115.29 113.57 3h2s s HIS 186 Ca -0.02 0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 3h2s s HIS 186 Cb -0.19 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.17 3h2s s HIS 186 CO -0.09 -0.47 0.01 -1.50 -2.00 0.00 0.00 174.74 170.69 3h2s s ILE 187 N -1.50 0.04 0.51 -5.38 1.10 0.09 -0.41 121.20 115.64 3h2s s ILE 187 Ca -0.12 0.08 -0.14 0.00 -0.51 0.00 0.00 60.65 59.96 3h2s s ILE 187 Cb -0.03 -0.10 -0.07 0.00 0.15 0.00 0.00 42.46 42.40 3h2s s ILE 187 CO 0.04 0.07 0.95 0.42 -2.11 0.00 0.00 174.94 174.31 3h2s s THR 188 N 0.56 4.61 0.39 4.00 -4.23 -1.26 -3.14 115.64 116.56 3h2s s THR 188 Ca -0.05 1.04 0.14 0.00 -1.18 0.00 0.00 61.69 61.64 3h2s s THR 188 Cb -0.07 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.38 3h2s s THR 188 CO -0.01 -0.72 1.84 0.00 -0.54 0.00 0.00 174.62 175.19 3h2s h THR 189 N 0.78 0.71 -0.36 3.99 1.03 -1.34 -2.60 112.91 115.11 3h2s h THR 189 Ca -0.46 -0.18 -0.10 0.00 -0.01 0.00 0.00 66.41 65.66 3h2s h THR 189 Cb 1.19 0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 68.39 3h2s h THR 189 CO 0.62 0.10 -0.16 1.23 -0.01 0.00 0.00 175.52 177.29 3h2s h GLY 190 N 0.52 0.80 -2.49 2.99 0.00 -1.23 -1.72 103.07 101.95 3h2s h GLY 190 Ca 0.49 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3h2s h GLY 190 CO -0.22 0.65 0.00 0.70 0.00 0.00 0.00 176.54 177.67 3h2s n ASN 191 N -4.32 1.87 0.00 0.19 3.02 -0.98 -1.64 115.26 113.41 3h2s n ASN 191 Ca -0.02 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3h2s n ASN 191 Cb 0.40 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.08 0.00 -0.09 5.41 0.00 -0.65 -1.38 120.51 124.88 3h2s n ALA 193 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3h2s n ALA 193 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.44 -0.75 0.00 3.38 -1.59 -1.28 115.31 114.63 3h2s h LEU 194 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3h2s h LEU 194 Cb 0.00 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3h2s h LEU 194 CO 0.00 -0.16 0.38 0.00 0.09 0.00 0.00 178.44 178.75 3h2s h ALA 195 N 1.21 0.97 -0.17 1.53 0.00 -1.52 0.27 119.26 121.55 3h2s h ALA 195 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3h2s h ALA 195 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h2s h ALA 195 CO -0.37 0.51 -0.01 0.82 0.00 0.00 0.00 179.25 180.20 3h2s h ILE 196 N 1.05 1.26 -0.14 0.00 2.04 -1.79 -2.02 117.51 117.91 3h2s h ILE 196 Ca 0.26 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 3h2s h ILE 196 Cb 0.08 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3h2s h ILE 196 CO -0.04 0.26 -0.36 -0.07 0.00 0.00 0.00 178.15 177.95 3h2s h LEU 197 N 0.04 0.29 -0.69 1.44 -0.00 -1.10 -0.56 115.31 114.74 3h2s h LEU 197 Ca 0.05 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 3h2s h LEU 197 Cb 0.40 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 3h2s h LEU 197 CO 0.01 0.63 0.45 0.44 -0.00 0.00 0.00 178.44 179.97 3h2s h ASP 198 N 0.24 0.76 -0.25 -0.43 3.32 -0.86 -0.59 116.42 118.62 3h2s h ASP 198 Ca 0.03 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 3h2s h ASP 198 Cb 0.75 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3h2s h ASP 198 CO 0.06 0.54 -0.36 1.56 -1.72 0.00 0.00 179.24 179.32 3h2s h GLN 199 N 0.90 0.78 -0.57 3.56 1.08 -0.56 0.54 115.11 120.84 3h2s h GLN 199 Ca 0.26 -0.39 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3h2s h GLN 199 Cb -0.06 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3h2s h GLN 199 CO -0.07 1.01 0.33 -0.07 -0.95 0.00 0.00 178.83 179.08 3h2s h LEU 200 N 0.65 0.70 0.06 1.46 4.07 -0.92 -0.79 115.31 120.54 3h2s h LEU 200 Ca 0.06 -0.07 -0.26 0.00 0.08 0.00 0.00 57.88 57.68 3h2s h LEU 200 Cb 0.91 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.48 3h2s h LEU 200 CO 0.08 0.57 -1.18 -0.33 -1.08 0.00 0.00 178.44 176.50 3h2s h GLU 201 N 0.77 0.31 -2.51 1.13 5.08 -1.05 -3.40 114.58 114.91 3h2s h GLU 201 Ca 0.20 -0.47 -0.59 0.00 -1.00 0.00 0.00 59.36 57.50 3h2s h GLU 201 Cb 0.01 0.17 -0.39 0.00 0.50 0.00 0.00 28.75 29.04 3h2s h GLU 201 CO -0.04 1.20 -0.90 -1.01 -1.00 0.00 0.00 179.01 177.26 3h2s s HIS 202 N -2.80 1.21 0.10 4.33 3.76 0.17 -5.09 115.29 116.97 3h2s s HIS 202 Ca -0.05 -2.21 -0.31 0.00 -0.15 0.00 0.00 55.06 52.35 3h2s s HIS 202 Cb 0.07 -1.10 -0.09 0.00 1.11 0.00 0.00 32.58 32.58 3h2s s HIS 202 CO 0.88 -0.81 1.59 -2.14 -0.85 0.00 0.00 174.74 173.41 3h2s s PRO 203 N 0.26 4.22 0.00 8.40 0.02 -0.30 -4.40 135.00 143.20 3h2s s PRO 203 Ca 0.27 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3h2s s PRO 203 Cb -0.06 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3h2s s PRO 203 CO -0.13 -0.66 0.00 -2.37 -0.33 0.00 0.00 177.00 173.52 3h2s n THR 204 N 4.39 0.00 -1.47 0.99 5.66 -1.26 -4.83 114.28 117.76 3h2s n THR 204 Ca 0.15 -0.33 -0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3h2s n THR 204 Cb 0.40 0.86 0.20 0.00 -1.55 0.00 0.00 70.33 70.24 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 -0.99 4.01 -1.74 1.79 0.00 -1.26 -5.02 120.51 117.30 3h2s n ALA 205 Ca 0.00 -3.15 -0.42 0.00 0.00 0.00 0.00 53.44 49.87 3h2s n ALA 205 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 3h2s n ALA 205 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h2s s ILE 206 N -3.22 2.05 -1.46 0.00 1.01 -1.26 -1.18 121.20 117.14 3h2s s ILE 206 Ca 0.42 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 3h2s s ILE 206 Cb 0.39 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.88 3h2s s ILE 206 CO -0.02 0.00 0.78 0.54 0.00 0.00 0.00 174.94 176.25 3h2s n ARG 207 N 3.65 -5.16 -4.12 2.79 1.74 0.21 -4.97 116.66 110.79 3h2s n ARG 207 Ca 0.14 0.69 -0.11 0.00 -0.77 0.00 0.00 57.85 57.80 3h2s n ARG 207 Cb 0.36 -5.55 -0.09 0.00 -1.02 0.00 0.00 32.46 26.16 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 -2.99 0.12 -0.11 0.55 -1.08 -0.32 -5.04 116.67 107.80 3h2s s ASP 208 Ca 0.49 -1.21 0.03 0.00 -0.52 0.00 0.00 52.55 51.35 3h2s s ASP 208 Cb -0.24 0.41 0.00 0.00 -1.46 0.00 0.00 42.92 41.64 3h2s s ASP 208 CO 0.60 -0.88 -0.23 -0.60 0.52 0.00 0.00 175.17 174.58 3h2s s ARG 209 N -4.09 2.95 0.32 4.34 3.00 -1.26 -1.11 118.95 123.09 3h2s s ARG 209 Ca 0.31 -0.84 0.09 0.00 -1.00 0.00 0.00 55.73 54.28 3h2s s ARG 209 Cb 0.05 -2.27 -0.04 0.00 0.00 0.00 0.00 34.95 32.68 3h2s s ARG 209 CO 0.08 0.12 0.07 0.96 0.00 0.00 0.00 175.30 176.53 3h2s s ILE 210 N 0.49 3.07 0.09 4.11 -4.36 0.05 -4.60 121.20 120.06 3h2s s ILE 210 Ca -0.16 -1.82 0.09 0.00 -0.26 0.00 0.00 60.65 58.51 3h2s s ILE 210 Cb -0.17 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.60 3h2s s ILE 210 CO 0.06 -0.24 -0.24 0.54 0.24 0.00 0.00 174.94 175.29 3h2s s VAL 211 N -2.41 1.98 0.01 8.37 0.11 -0.81 -0.55 120.40 127.09 3h2s s VAL 211 Ca 0.35 -1.52 0.03 0.00 -2.93 0.00 0.00 61.98 57.91 3h2s s VAL 211 Cb -0.03 -1.75 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 3h2s s VAL 211 CO 0.21 0.13 -0.09 0.68 -3.33 0.00 0.00 175.10 172.70 3h2s s VAL 212 N -0.98 0.72 0.22 2.04 -7.23 -1.04 0.18 120.40 114.30 3h2s s VAL 212 Ca 0.10 -0.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.80 3h2s s VAL 212 Cb -0.10 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 3h2s s VAL 212 CO 0.04 0.10 -0.08 0.00 -0.31 0.00 0.00 175.10 174.85 3h2s s ARG 213 N -0.48 1.33 0.33 4.82 1.70 -0.36 -2.57 118.95 123.71 3h2s s ARG 213 Ca 0.02 -1.63 -0.29 0.00 -0.47 0.00 0.00 55.73 53.36 3h2s s ARG 213 Cb -0.05 -0.90 -0.11 0.00 -0.57 0.00 0.00 34.95 33.32 3h2s s ARG 213 CO -0.00 0.06 1.55 -0.51 -1.08 0.00 0.00 175.30 175.32 3h2s s ASP 214 N -3.31 6.37 0.78 -2.89 1.01 0.45 -0.93 116.67 118.15 3h2s s ASP 214 Ca 0.24 2.99 -0.12 0.00 0.71 0.00 0.00 52.55 56.37 3h2s s ASP 214 Cb 0.03 -2.65 0.07 0.00 1.01 0.00 0.00 42.92 41.37 3h2s s ASP 214 CO 0.07 -0.89 1.13 0.00 0.21 0.00 0.00 175.17 175.69 3h2s s ALA 215 N -0.45 2.07 -2.00 5.23 0.00 0.05 -4.62 121.76 122.03 3h2s s ALA 215 Ca 0.59 0.50 0.21 0.00 0.00 0.00 0.00 51.96 53.26 3h2s s ALA 215 Cb -0.47 -3.36 1.26 0.00 0.00 0.00 0.00 23.12 20.54 3h2s s ALA 215 CO 0.54 -1.96 1.64 -0.25 0.00 0.00 0.00 175.76 175.73