#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9c n SER 2 N 0.00 0.00 -4.79 3.54 2.88 -1.26 -5.13 113.62 108.86 1a9c n SER 2 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1a9c n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1a9c n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a9c s LEU 3 N -1.42 4.56 0.85 2.46 1.43 -1.26 -4.91 118.68 120.39 1a9c s LEU 3 Ca 0.00 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 1a9c s LEU 3 Cb 0.00 -3.26 0.10 0.00 0.03 0.00 0.00 46.19 43.06 1a9c s LEU 3 CO 0.00 0.20 1.10 -0.94 0.23 0.00 0.00 176.35 176.94 1a9c s SER 4 N -1.20 3.91 0.24 2.29 1.04 -1.26 -4.79 113.70 113.93 1a9c s SER 4 Ca 0.35 1.40 -0.05 0.00 0.48 0.00 0.00 55.95 58.13 1a9c s SER 4 Cb -0.22 -2.10 0.33 0.00 0.10 0.00 0.00 66.02 64.13 1a9c s SER 4 CO 0.24 -2.35 1.86 0.11 0.98 0.00 0.00 173.24 174.08 1a9c h LYS 5 N -1.35 0.98 0.33 4.02 1.57 -1.99 -1.32 116.57 118.81 1a9c h LYS 5 Ca -0.48 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1a9c h LYS 5 Cb 1.28 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1a9c h LYS 5 CO 0.57 0.65 -0.16 0.93 -0.57 0.00 0.00 179.45 180.87 1a9c h GLU 6 N 1.01 -0.42 -0.38 3.15 3.07 -1.97 -0.01 114.58 119.03 1a9c h GLU 6 Ca 0.38 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.34 1a9c h GLU 6 Cb 0.15 0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.07 1a9c h GLU 6 CO -0.16 -0.23 -0.15 0.00 -1.40 0.00 0.00 179.01 177.07 1a9c h ALA 7 N 0.13 0.16 -0.11 3.43 0.00 -1.81 0.54 119.26 121.59 1a9c h ALA 7 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a9c h ALA 7 Cb 0.39 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1a9c h ALA 7 CO 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 179.25 178.71 1a9c h ALA 8 N 1.24 -0.01 -0.02 0.00 0.00 -1.10 -0.48 119.26 118.89 1a9c h ALA 8 Ca 0.19 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1a9c h ALA 8 Cb 0.36 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1a9c h ALA 8 CO -0.43 -0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 177.97 1a9c h LEU 9 N -0.12 -0.68 -0.05 0.00 3.38 0.06 -1.04 115.31 116.85 1a9c h LEU 9 Ca 0.08 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1a9c h LEU 9 Cb 0.24 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1a9c h LEU 9 CO -0.19 -0.29 -0.05 0.58 0.09 0.00 0.00 178.44 178.58 1a9c h VAL 10 N -0.35 0.85 -0.30 1.22 2.07 -0.74 -0.81 116.25 118.19 1a9c h VAL 10 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1a9c h VAL 10 Cb 0.44 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1a9c h VAL 10 CO -0.22 0.00 -0.10 -0.74 0.02 0.00 0.00 177.57 176.53 1a9c h HIS 11 N -0.06 -0.24 -0.25 1.57 -0.00 -0.81 -0.36 115.15 115.01 1a9c h HIS 11 Ca 0.04 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1a9c h HIS 11 Cb 0.12 0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 1a9c h HIS 11 CO -0.15 -0.17 0.13 0.93 -0.00 0.00 0.00 177.93 178.68 1a9c h GLU 12 N -0.04 0.27 -0.49 5.26 5.08 -0.97 -0.94 114.58 122.75 1a9c h GLU 12 Ca 0.15 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1a9c h GLU 12 Cb 0.27 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1a9c h GLU 12 CO -0.33 0.18 0.09 0.00 -1.00 0.00 0.00 179.01 177.95 1a9c h ALA 13 N 1.12 0.55 -0.06 3.43 0.00 -0.37 0.21 119.26 124.13 1a9c h ALA 13 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a9c h ALA 13 Cb 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a9c h ALA 13 CO -0.06 -0.31 0.03 -0.07 0.00 0.00 0.00 179.25 178.84 1a9c h LEU 14 N 0.23 0.08 -0.51 0.00 3.38 -0.81 -1.64 115.31 116.04 1a9c h LEU 14 Ca 0.25 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1a9c h LEU 14 Cb 0.33 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1a9c h LEU 14 CO -0.33 0.15 0.22 0.58 0.09 0.00 0.00 178.44 179.15 1a9c h VAL 15 N 0.01 0.90 -0.51 1.22 2.07 -0.30 0.20 116.25 119.83 1a9c h VAL 15 Ca 0.02 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1a9c h VAL 15 Cb 0.09 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1a9c h VAL 15 CO -0.00 0.08 0.23 0.00 0.02 0.00 0.00 177.57 177.90 1a9c h ALA 16 N 1.30 0.64 0.00 1.67 0.00 -0.40 -0.10 119.26 122.38 1a9c h ALA 16 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a9c h ALA 16 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a9c h ALA 16 CO -0.20 -0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.46 1a9c n ARG 17 N -4.93 0.09 -1.51 0.00 3.00 -0.64 -4.90 116.66 107.77 1a9c n ARG 17 Ca 0.05 0.10 -0.01 0.00 -0.01 0.00 0.00 57.85 57.97 1a9c n ARG 17 Cb 0.16 -1.61 -0.00 0.00 0.00 0.00 0.00 32.46 31.01 1a9c n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a9c n GLY 18 N 1.29 0.40 1.31 -0.13 0.00 0.47 -4.95 105.19 103.59 1a9c n GLY 18 Ca 0.06 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.25 1a9c n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9c n LEU 19 N -0.17 4.03 -4.83 0.99 4.77 0.14 -4.99 117.00 116.95 1a9c n LEU 19 Ca -0.01 -2.13 -0.33 0.00 -0.03 0.00 0.00 56.01 53.51 1a9c n LEU 19 Cb 0.27 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1a9c n LEU 19 CO 0.02 0.91 0.68 -1.61 -1.33 0.00 0.00 177.39 176.06 1a9c s GLU 20 N -1.25 3.88 0.23 3.23 0.41 -1.24 -4.77 118.70 119.20 1a9c s GLU 20 Ca 0.46 1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 55.79 1a9c s GLU 20 Cb 0.26 -2.12 -0.09 0.00 -1.78 0.00 0.00 34.13 30.39 1a9c s GLU 20 CO 0.29 -0.33 1.35 0.99 -0.49 0.00 0.00 175.26 177.06 1a9c s THR 21 N -2.45 2.98 -0.52 3.63 2.01 -1.26 -4.85 115.64 115.17 1a9c s THR 21 Ca 0.61 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 63.15 1a9c s THR 21 Cb -0.11 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1a9c s THR 21 CO 0.28 0.14 2.40 -2.65 -0.69 0.00 0.00 174.62 174.09 1a9c n PRO 22 N 2.32 0.96 -4.57 4.92 -0.02 -1.26 -4.93 135.00 132.43 1a9c n PRO 22 Ca 0.06 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.44 1a9c n PRO 22 Cb 0.42 -2.86 -0.15 0.00 -0.02 0.00 0.00 33.50 30.90 1a9c n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a9c s LEU 23 N 10.16 2.06 -0.10 2.45 1.43 -1.26 -5.13 118.68 128.28 1a9c s LEU 23 Ca 1.08 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1a9c s LEU 23 Cb -0.54 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1a9c s LEU 23 CO 0.36 0.14 0.07 -0.13 0.23 0.00 0.00 176.35 177.02 1a9c s ARG 24 N -0.51 3.23 0.57 1.70 0.52 -1.26 -5.07 118.95 118.13 1a9c s ARG 24 Ca 0.05 -0.27 -0.20 0.00 -0.52 0.00 0.00 55.73 54.78 1a9c s ARG 24 Cb -0.06 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.37 1a9c s ARG 24 CO -0.00 0.73 1.07 -0.35 0.02 0.00 0.00 175.30 176.77 1a9c n PRO 25 N 2.10 1.12 -1.52 3.54 -0.04 -1.26 -4.71 135.00 134.23 1a9c n PRO 25 Ca -0.19 0.43 -0.28 0.00 -0.04 0.00 0.00 63.50 63.42 1a9c n PRO 25 Cb 0.54 -2.26 -0.13 0.00 -0.04 0.00 0.00 33.50 31.61 1a9c n PRO 25 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a9c n PRO 26 N -0.94 0.34 -0.23 0.54 -0.04 -1.26 -4.76 135.00 128.64 1a9c n PRO 26 Ca 0.13 -0.20 0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1a9c n PRO 26 Cb 0.46 -2.25 0.29 0.00 -0.04 0.00 0.00 33.50 31.96 1a9c n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a9c n VAL 27 N 7.29 -0.29 -3.68 0.52 0.31 -1.26 -4.50 118.33 116.71 1a9c n VAL 27 Ca 0.56 1.48 -0.13 0.00 -0.01 0.00 0.00 64.34 66.25 1a9c n VAL 27 Cb 0.26 -2.27 -0.07 0.00 -0.91 0.00 0.00 33.84 30.85 1a9c n VAL 27 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1a9c s HIS 28 N -5.37 -0.26 -1.09 3.52 3.76 -1.26 -5.07 115.29 109.52 1a9c s HIS 28 Ca -0.08 0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.88 1a9c s HIS 28 Cb 0.22 0.19 -0.10 0.00 1.11 0.00 0.00 32.58 34.00 1a9c s HIS 28 CO 0.54 -0.52 1.99 -1.21 -0.85 0.00 0.00 174.74 174.69 1a9c s GLU 29 N -2.10 2.24 -0.12 1.40 2.02 -1.26 -4.91 118.70 115.98 1a9c s GLU 29 Ca -0.08 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 1a9c s GLU 29 Cb -0.02 -5.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.04 1a9c s GLU 29 CO 0.00 -4.13 0.10 -1.64 0.02 0.00 0.00 175.26 169.61 1a9c s MET 30 N 7.04 3.36 0.43 1.61 -1.94 -1.26 -5.08 119.30 123.46 1a9c s MET 30 Ca 0.72 -0.21 -0.23 0.00 -1.71 0.00 0.00 55.69 54.26 1a9c s MET 30 Cb -0.03 -3.09 -0.09 0.00 2.01 0.00 0.00 34.83 33.62 1a9c s MET 30 CO 0.11 0.73 1.04 -0.51 -0.01 0.00 0.00 175.02 176.37 1a9c s ASP 31 N -0.89 6.61 0.52 3.03 1.11 -1.26 -4.88 116.67 120.91 1a9c s ASP 31 Ca 0.14 1.99 0.20 0.00 0.18 0.00 0.00 52.55 55.06 1a9c s ASP 31 Cb -0.12 -2.57 1.32 0.00 1.07 0.00 0.00 42.92 42.62 1a9c s ASP 31 CO 0.03 -0.60 2.08 0.78 1.18 0.00 0.00 175.17 178.65 1a9c h ASN 32 N 2.13 0.00 -0.38 0.27 4.21 -1.99 0.53 115.58 120.36 1a9c h ASN 32 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1a9c h ASN 32 Cb 1.22 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 1a9c h ASN 32 CO 0.61 0.00 0.25 -0.33 -1.29 0.00 0.00 177.43 176.67 1a9c h GLU 33 N 0.00 0.50 -0.29 0.81 5.08 -1.99 0.22 114.58 118.92 1a9c h GLU 33 Ca 0.11 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1a9c h GLU 33 Cb 0.45 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1a9c h GLU 33 CO -0.00 0.34 -0.50 1.79 -1.00 0.00 0.00 179.01 179.63 1a9c h THR 34 N 0.51 1.28 -0.34 1.13 1.35 -1.32 -1.78 112.91 113.75 1a9c h THR 34 Ca 0.14 -1.69 0.01 0.00 -0.55 0.00 0.00 66.41 64.31 1a9c h THR 34 Cb -0.05 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1a9c h THR 34 CO -0.03 0.55 0.21 0.03 -0.25 0.00 0.00 175.52 176.03 1a9c h ARG 35 N 0.63 0.42 0.08 4.72 3.08 -0.74 -0.79 114.38 121.77 1a9c h ARG 35 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a9c h ARG 35 Cb 1.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1a9c h ARG 35 CO 0.11 0.28 -0.07 0.87 -1.07 0.00 0.00 179.97 180.09 1a9c h LYS 36 N 0.43 -0.15 -0.91 0.04 1.57 -0.50 0.56 116.57 117.61 1a9c h LYS 36 Ca 0.13 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1a9c h LYS 36 Cb -0.02 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1a9c h LYS 36 CO -0.05 -0.10 0.59 0.66 -0.57 0.00 0.00 179.45 179.99 1a9c h SER 37 N -0.15 0.90 -0.26 0.86 4.64 -1.03 0.22 113.55 118.73 1a9c h SER 37 Ca 0.00 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1a9c h SER 37 Cb 0.14 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1a9c h SER 37 CO -0.01 0.56 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.42 1a9c h LEU 38 N 1.01 0.47 -0.61 5.97 3.38 -0.62 -0.49 115.31 124.42 1a9c h LEU 38 Ca 0.40 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a9c h LEU 38 Cb 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1a9c h LEU 38 CO -0.16 0.69 0.39 0.40 0.09 0.00 0.00 178.44 179.85 1a9c h ILE 39 N 0.24 1.17 -0.91 1.22 2.04 -0.12 -1.87 117.51 119.28 1a9c h ILE 39 Ca 0.07 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1a9c h ILE 39 Cb 0.46 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1a9c h ILE 39 CO 0.02 0.17 0.60 0.00 0.00 0.00 0.00 178.15 178.93 1a9c h ALA 40 N 1.21 1.16 -0.02 1.87 0.00 -0.40 -0.49 119.26 122.59 1a9c h ALA 40 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1a9c h ALA 40 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1a9c h ALA 40 CO -0.05 0.52 -0.03 0.78 0.00 0.00 0.00 179.25 180.48 1a9c h GLY 41 N 1.20 -0.01 1.20 0.00 0.00 -0.43 0.29 103.07 105.33 1a9c h GLY 41 Ca 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1a9c h GLY 41 CO -0.09 -0.03 0.45 0.45 0.00 0.00 0.00 176.54 177.32 1a9c h HIS 42 N -0.04 1.03 -0.71 5.60 -0.00 -0.75 -1.85 115.15 118.43 1a9c h HIS 42 Ca 0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.31 1a9c h HIS 42 Cb 0.07 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 1a9c h HIS 42 CO -0.11 0.69 0.17 0.52 -0.00 0.00 0.00 177.93 179.20 1a9c h MET 43 N 1.07 1.13 -0.31 2.45 2.86 -0.58 -0.56 114.93 121.00 1a9c h MET 43 Ca 0.28 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1a9c h MET 43 Cb -0.02 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 1a9c h MET 43 CO -0.05 0.99 0.06 1.15 1.06 0.00 0.00 176.91 180.12 1a9c h THR 44 N 1.07 0.85 0.21 2.22 2.02 -0.18 0.16 112.91 119.26 1a9c h THR 44 Ca 0.22 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1a9c h THR 44 Cb 0.37 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1a9c h THR 44 CO 0.00 0.03 -0.22 -0.33 0.37 0.00 0.00 175.52 175.37 1a9c h GLU 45 N 0.17 -0.45 -0.46 6.66 4.39 -0.93 -0.33 114.58 123.62 1a9c h GLU 45 Ca 0.14 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.94 1a9c h GLU 45 Cb 0.16 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1a9c h GLU 45 CO -0.19 -0.30 0.14 0.82 -1.16 0.00 0.00 179.01 178.32 1a9c h ILE 46 N -0.47 0.82 -0.47 3.13 2.04 -0.68 0.14 117.51 122.01 1a9c h ILE 46 Ca 0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1a9c h ILE 46 Cb 0.44 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1a9c h ILE 46 CO -0.06 0.05 0.20 0.24 0.00 0.00 0.00 178.15 178.59 1a9c h MET 47 N 0.30 0.67 -0.25 2.37 2.86 -0.45 -1.15 114.93 119.27 1a9c h MET 47 Ca 0.22 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 1a9c h MET 47 Cb 0.25 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1a9c h MET 47 CO -0.25 0.54 -0.45 1.96 1.06 0.00 0.00 176.91 179.78 1a9c h GLN 48 N 0.67 0.65 0.00 1.72 4.20 0.24 -1.78 115.11 120.81 1a9c h GLN 48 Ca 0.16 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1a9c h GLN 48 Cb 0.12 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1a9c h GLN 48 CO -0.02 0.97 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.88 1a9c h LEU 49 N 0.52 0.00 -0.61 1.46 3.38 0.37 -0.38 115.31 120.05 1a9c h LEU 49 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1a9c h LEU 49 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1a9c h LEU 49 CO 0.09 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.96 1a9c n LEU 50 N -3.85 0.94 -0.98 1.67 4.77 -0.60 -4.92 117.00 114.03 1a9c n LEU 50 Ca -0.02 -0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 55.52 1a9c n LEU 50 Cb 0.26 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1a9c n LEU 50 CO 0.32 0.17 -0.12 0.59 -1.33 0.00 0.00 177.39 177.03 1a9c n ASN 51 N -0.24 -3.94 -4.75 -1.43 3.02 -0.15 -5.00 115.26 102.76 1a9c n ASN 51 Ca 0.20 0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.49 1a9c n ASN 51 Cb 0.25 -2.72 -0.05 0.00 -0.61 0.00 0.00 39.78 36.65 1a9c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a9c s LEU 52 N -2.68 4.61 -1.08 3.41 1.43 -0.70 -4.95 118.68 118.72 1a9c s LEU 52 Ca 0.00 2.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.97 1a9c s LEU 52 Cb 0.00 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.67 1a9c s LEU 52 CO 0.00 0.03 1.48 -0.62 0.23 0.00 0.00 176.35 177.47 1a9c s ASP 53 N -1.03 6.60 0.00 2.29 2.15 -1.26 -4.62 116.67 120.79 1a9c s ASP 53 Ca 0.43 -1.75 0.01 0.00 0.43 0.00 0.00 52.55 51.67 1a9c s ASP 53 Cb -0.29 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.84 1a9c s ASP 53 CO 0.36 -1.38 0.90 0.18 -0.17 0.00 0.00 175.17 175.06 1a9c n LEU 54 N 8.50 0.00 0.02 -1.34 4.77 -1.26 -1.08 117.00 126.61 1a9c n LEU 54 Ca 0.36 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1a9c n LEU 54 Cb 0.50 -0.35 0.47 0.00 -2.33 0.00 0.00 43.42 41.71 1a9c n LEU 54 CO 0.67 -0.34 0.79 0.00 -1.33 0.00 0.00 177.39 177.18 1a9c n ALA 55 N -1.35 2.64 -2.07 -1.18 0.00 -1.26 -3.32 120.51 113.96 1a9c n ALA 55 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1a9c n ALA 55 Cb 0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1a9c n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a9c s ASP 56 N -3.33 6.73 0.35 0.00 2.15 -0.24 -4.85 116.67 117.47 1a9c s ASP 56 Ca 0.12 2.43 0.13 0.00 0.43 0.00 0.00 52.55 55.66 1a9c s ASP 56 Cb 0.17 -2.59 1.11 0.00 -0.30 0.00 0.00 42.92 41.32 1a9c s ASP 56 CO 0.59 -0.73 1.58 -2.24 -0.17 0.00 0.00 175.17 174.20 1a9c h ASP 57 N 6.97 0.01 0.17 -0.34 2.03 -1.90 0.71 116.42 124.08 1a9c h ASP 57 Ca -0.42 0.27 -0.01 0.00 -0.73 0.00 0.00 57.03 56.14 1a9c h ASP 57 Cb 1.21 0.35 0.00 0.00 -0.83 0.00 0.00 39.33 40.06 1a9c h ASP 57 CO 0.89 -0.40 -0.08 -1.28 -1.03 0.00 0.00 179.24 177.33 1a9c h SER 58 N 0.01 -0.20 -0.74 4.15 0.87 -1.95 -3.35 113.55 112.34 1a9c h SER 58 Ca 0.75 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 61.49 1a9c h SER 58 Cb 1.84 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.81 1a9c h SER 58 CO -0.83 0.16 0.51 -0.07 -0.53 0.00 0.00 176.83 176.07 1a9c h LEU 59 N -0.85 0.27 -0.94 2.23 3.38 -1.74 -3.12 115.31 114.55 1a9c h LEU 59 Ca -0.02 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.24 1a9c h LEU 59 Cb 0.18 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.74 1a9c h LEU 59 CO 0.04 0.13 0.24 -0.03 0.09 0.00 0.00 178.44 178.91 1a9c h MET 60 N 0.28 0.12 -0.12 1.13 4.05 -0.87 -1.53 114.93 118.00 1a9c h MET 60 Ca 0.37 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1a9c h MET 60 Cb 1.02 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1a9c h MET 60 CO -0.09 0.08 0.00 0.39 0.23 0.00 0.00 176.91 177.52 1a9c n GLU 61 N -5.30 2.11 -0.28 0.39 1.02 -1.18 -4.50 120.64 112.90 1a9c n GLU 61 Ca 0.25 -1.64 -0.01 0.00 -0.02 0.00 0.00 57.16 55.75 1a9c n GLU 61 Cb 0.82 -1.47 0.12 0.00 -0.02 0.00 0.00 31.44 30.89 1a9c n GLU 61 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1a9c h THR 62 N 3.72 1.04 -0.38 2.62 2.02 -1.44 -0.68 112.91 119.82 1a9c h THR 62 Ca 0.00 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1a9c h THR 62 Cb 0.80 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1a9c h THR 62 CO 0.00 0.16 0.22 -0.65 0.37 0.00 0.00 175.52 175.63 1a9c h PRO 63 N 0.90 0.51 0.25 6.66 0.11 -1.79 0.15 132.00 138.79 1a9c h PRO 63 Ca 0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1a9c h PRO 63 Cb 0.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1a9c h PRO 63 CO -0.16 0.36 -0.12 0.45 -0.21 0.00 0.00 178.00 178.32 1a9c h HIS 64 N 0.52 -0.31 -0.93 0.65 3.86 -1.61 -1.60 115.15 115.73 1a9c h HIS 64 Ca 0.14 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.46 1a9c h HIS 64 Cb -0.01 0.10 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 1a9c h HIS 64 CO 0.00 0.05 0.56 0.00 0.86 0.00 0.00 177.93 179.39 1a9c h ARG 65 N -0.75 0.84 -0.29 2.45 3.08 -0.66 -0.63 114.38 118.42 1a9c h ARG 65 Ca -0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1a9c h ARG 65 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1a9c h ARG 65 CO 0.06 0.56 -0.06 0.82 -1.07 0.00 0.00 179.97 180.28 1a9c h ILE 66 N 0.87 1.28 -0.20 2.04 2.04 -0.71 -0.65 117.51 122.18 1a9c h ILE 66 Ca 0.47 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1a9c h ILE 66 Cb 0.50 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1a9c h ILE 66 CO -0.28 0.34 0.10 0.00 0.00 0.00 0.00 178.15 178.31 1a9c h ALA 67 N 0.79 0.24 -0.25 1.87 0.00 -0.47 -0.36 119.26 121.08 1a9c h ALA 67 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1a9c h ALA 67 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1a9c h ALA 67 CO 0.03 -0.31 0.14 -0.22 0.00 0.00 0.00 179.25 178.88 1a9c h LYS 68 N 0.22 0.29 -0.04 0.00 3.64 -1.11 -1.82 116.57 117.74 1a9c h LYS 68 Ca 0.08 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1a9c h LYS 68 Cb 0.01 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1a9c h LYS 68 CO -0.05 0.19 -0.15 1.98 -2.27 0.00 0.00 179.45 179.15 1a9c h MET 69 N 0.30 -0.21 0.61 1.90 4.05 -0.73 0.35 114.93 121.20 1a9c h MET 69 Ca 0.10 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1a9c h MET 69 Cb 0.00 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1a9c h MET 69 CO -0.05 -0.14 -0.38 1.88 0.23 0.00 0.00 176.91 178.45 1a9c h TYR 70 N -0.22 -1.01 0.14 1.39 -1.99 -0.93 -0.02 116.97 114.33 1a9c h TYR 70 Ca 0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1a9c h TYR 70 Cb 0.31 0.36 0.00 0.00 2.00 0.00 0.00 36.73 39.40 1a9c h TYR 70 CO -0.22 -0.58 -0.07 0.28 -0.00 0.00 0.00 178.16 177.57 1a9c h VAL 71 N -0.94 1.00 0.14 -2.88 2.07 -1.25 -2.04 116.25 112.34 1a9c h VAL 71 Ca -0.08 -0.68 -0.33 0.00 0.82 0.00 0.00 66.70 66.43 1a9c h VAL 71 Cb 0.77 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1a9c h VAL 71 CO 0.07 0.16 -1.69 0.44 0.02 0.00 0.00 177.57 176.58 1a9c h ASP 72 N -0.52 0.47 0.00 0.57 3.32 -0.40 -3.35 116.42 116.51 1a9c h ASP 72 Ca -0.02 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1a9c h ASP 72 Cb 0.41 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1a9c h ASP 72 CO 0.03 1.62 0.00 -0.62 -1.72 0.00 0.00 179.24 178.55 1a9c n GLU 73 N -3.49 0.00 -0.01 3.56 1.02 -0.17 -4.48 120.64 117.07 1a9c n GLU 73 Ca -0.22 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.15 1a9c n GLU 73 Cb 1.06 0.00 0.58 0.00 -0.02 0.00 0.00 31.44 33.06 1a9c n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a9c h ILE 74 N 0.00 0.16 -0.05 -3.67 3.07 -1.33 -0.90 117.51 114.78 1a9c h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a9c h ILE 74 Cb 0.00 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 36.89 1a9c h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a9c n PHE 75 N -3.37 0.15 0.33 0.16 3.72 -0.77 -2.96 117.46 114.72 1a9c n PHE 75 Ca 0.13 -0.83 0.22 0.00 -0.05 0.00 0.00 57.45 56.92 1a9c n PHE 75 Cb 1.01 -0.14 1.11 0.00 -0.94 0.00 0.00 39.48 40.53 1a9c n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a9c h SER 76 N 0.36 0.00 0.43 4.37 4.64 -1.12 -2.04 113.55 120.19 1a9c h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a9c h SER 76 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1a9c h SER 76 CO 0.03 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.22 1a9c h GLY 77 N 0.38 0.00 2.00 -0.77 0.00 -1.05 -2.19 103.07 101.44 1a9c h GLY 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a9c h GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1a9c h LEU 78 N 0.00 0.00 -8.32 3.11 3.38 -1.48 -3.41 115.31 108.58 1a9c h LEU 78 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1a9c h LEU 78 Cb 0.22 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.71 1a9c h LEU 78 CO 0.00 0.00 -0.57 -0.62 0.09 0.00 0.00 178.44 177.34 1a9c s ASP 79 N -5.12 5.49 0.00 -0.43 -1.08 -0.83 -4.96 116.67 109.74 1a9c s ASP 79 Ca 0.04 -0.98 0.06 0.00 -0.52 0.00 0.00 52.55 51.16 1a9c s ASP 79 Cb 0.09 -1.95 0.33 0.00 -1.46 0.00 0.00 42.92 39.93 1a9c s ASP 79 CO 0.52 -0.32 0.99 -1.22 0.52 0.00 0.00 175.17 175.65 1a9c n TYR 80 N 4.91 0.00 0.27 -5.34 4.01 -1.26 -0.61 117.16 119.14 1a9c n TYR 80 Ca -0.13 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.77 1a9c n TYR 80 Cb 0.46 -0.21 0.53 0.00 -0.31 0.00 0.00 39.34 39.81 1a9c n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a9c h ALA 81 N 2.32 1.00 -0.43 -0.72 0.00 -1.92 -2.55 119.26 116.97 1a9c h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a9c h ALA 81 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a9c h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a9c n ASN 82 N -3.06 2.61 -4.76 0.00 3.02 0.22 -4.94 115.26 108.34 1a9c n ASN 82 Ca 0.02 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 1a9c n ASN 82 Cb 0.37 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1a9c n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a9c s PHE 83 N -1.43 3.07 0.77 3.10 5.36 -0.96 -4.96 117.98 122.92 1a9c s PHE 83 Ca 0.34 1.35 -0.13 0.00 -0.96 0.00 0.00 56.93 57.54 1a9c s PHE 83 Cb 0.18 -3.69 0.06 0.00 -0.34 0.00 0.00 43.02 39.23 1a9c s PHE 83 CO 0.25 -1.95 1.14 -1.25 -1.46 0.00 0.00 175.22 171.95 1a9c s PRO 84 N -1.45 2.07 -0.29 10.12 0.04 -1.26 -4.96 135.00 139.27 1a9c s PRO 84 Ca 0.51 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1a9c s PRO 84 Cb -0.40 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1a9c s PRO 84 CO 0.50 -1.82 1.05 0.15 0.04 0.00 0.00 177.00 176.92 1a9c s LYS 85 N -4.39 4.12 -0.05 4.56 1.02 -1.26 -4.91 119.74 118.83 1a9c s LYS 85 Ca 0.67 1.14 -0.18 0.00 0.02 0.00 0.00 55.97 57.63 1a9c s LYS 85 Cb -0.22 -3.71 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 1a9c s LYS 85 CO 0.50 -0.81 0.48 0.42 -0.92 0.00 0.00 175.35 175.03 1a9c s ILE 86 N 3.48 5.05 -0.06 2.17 1.09 -1.26 -4.96 121.20 126.71 1a9c s ILE 86 Ca 0.44 0.99 0.03 0.00 -1.10 0.00 0.00 60.65 61.02 1a9c s ILE 86 Cb -0.13 -3.81 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 1a9c s ILE 86 CO 0.12 0.44 -0.15 0.42 -0.10 0.00 0.00 174.94 175.67 1a9c s THR 87 N -0.17 1.30 -0.00 2.92 -4.23 -1.26 -5.10 115.64 109.11 1a9c s THR 87 Ca 0.26 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1a9c s THR 87 Cb -0.16 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1a9c s THR 87 CO 0.13 0.39 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.65 1a9c s LEU 88 N 0.49 2.06 0.01 4.79 1.43 -1.26 -1.86 118.68 124.34 1a9c s LEU 88 Ca -0.13 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1a9c s LEU 88 Cb -0.15 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1a9c s LEU 88 CO 0.04 0.22 -0.05 0.27 0.23 0.00 0.00 176.35 177.05 1a9c s ILE 89 N -0.51 3.74 0.28 -0.59 -4.36 0.31 -4.94 121.20 115.13 1a9c s ILE 89 Ca 0.07 -0.77 -0.30 0.00 -0.26 0.00 0.00 60.65 59.39 1a9c s ILE 89 Cb -0.08 -2.64 -0.11 0.00 1.25 0.00 0.00 42.46 40.88 1a9c s ILE 89 CO -0.00 0.37 1.59 -0.70 0.24 0.00 0.00 174.94 176.44 1a9c s GLU 90 N -1.49 4.14 -1.33 0.37 2.12 -1.26 -0.65 118.70 120.59 1a9c s GLU 90 Ca 0.18 2.55 -0.12 0.00 0.36 0.00 0.00 54.97 57.94 1a9c s GLU 90 Cb -0.11 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1a9c s GLU 90 CO 0.08 -0.62 2.45 -1.71 -0.54 0.00 0.00 175.26 174.93 1a9c n ASN 91 N 2.28 5.80 0.12 -1.70 5.15 -0.60 -4.53 115.26 121.78 1a9c n ASN 91 Ca 0.08 -2.61 -0.03 0.00 -0.60 0.00 0.00 54.58 51.42 1a9c n ASN 91 Cb 0.38 -1.44 0.11 0.00 -0.53 0.00 0.00 39.78 38.30 1a9c n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1a9c h LYS 92 N 5.92 0.02 0.00 1.20 1.57 -1.88 -2.88 116.57 120.52 1a9c h LYS 92 Ca 0.66 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1a9c h LYS 92 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1a9c h LYS 92 CO 1.77 0.70 0.00 -1.33 -0.57 0.00 0.00 179.45 180.02 1a9c n MET 93 N -3.73 0.02 -3.64 3.15 2.81 -1.26 -4.85 117.12 109.62 1a9c n MET 93 Ca -0.01 0.44 -0.22 0.00 -1.81 0.00 0.00 57.70 56.09 1a9c n MET 93 Cb 0.68 -1.56 0.06 0.00 -0.71 0.00 0.00 33.22 31.69 1a9c n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9c n LYS 94 N -1.60 -6.16 -2.28 0.03 5.02 -1.09 -4.92 118.16 107.16 1a9c n LYS 94 Ca 0.01 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 1a9c n LYS 94 Cb 0.06 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.46 1a9c n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a9c s VAL 95 N -3.44 3.83 -0.03 -0.18 1.01 -1.26 -4.88 120.40 115.46 1a9c s VAL 95 Ca 0.24 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1a9c s VAL 95 Cb -0.11 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.55 1a9c s VAL 95 CO 0.77 0.00 0.93 -0.90 0.00 0.00 0.00 175.10 175.91 1a9c n ASP 96 N 5.24 1.50 -4.41 3.32 5.68 -1.26 -4.49 116.55 122.12 1a9c n ASP 96 Ca 0.12 -2.04 -0.27 0.00 -0.50 0.00 0.00 54.79 52.11 1a9c n ASP 96 Cb 0.44 -0.11 -0.12 0.00 -1.14 0.00 0.00 41.12 40.19 1a9c n ASP 96 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a9c s GLU 97 N -1.12 1.48 0.57 0.11 0.41 -1.26 -4.93 118.70 113.95 1a9c s GLU 97 Ca 0.07 -1.49 -0.20 0.00 -0.41 0.00 0.00 54.97 52.94 1a9c s GLU 97 Cb 0.06 -1.82 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 1a9c s GLU 97 CO 0.01 0.40 1.26 0.00 -0.49 0.00 0.00 175.26 176.43 1a9c s MET 98 N -2.57 3.09 -0.17 1.61 0.23 -1.26 -4.39 119.30 115.84 1a9c s MET 98 Ca 0.19 1.97 -0.03 0.00 -1.03 0.00 0.00 55.69 56.79 1a9c s MET 98 Cb -0.08 -2.08 -0.02 0.00 -1.53 0.00 0.00 34.83 31.11 1a9c s MET 98 CO 0.09 -1.15 -0.06 0.08 -2.03 0.00 0.00 175.02 171.95 1a9c s VAL 99 N -1.47 3.56 -0.15 5.16 1.01 0.50 -4.93 120.40 124.08 1a9c s VAL 99 Ca 0.74 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1a9c s VAL 99 Cb -0.34 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1a9c s VAL 99 CO 0.38 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.86 1a9c s THR 100 N 0.72 2.17 -0.32 3.92 2.01 -1.26 -1.71 115.64 121.18 1a9c s THR 100 Ca -0.03 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1a9c s THR 100 Cb -0.15 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1a9c s THR 100 CO 0.02 0.54 0.11 -0.69 -0.69 0.00 0.00 174.62 173.91 1a9c s VAL 101 N 0.84 4.02 0.21 3.82 1.01 0.46 -5.00 120.40 125.76 1a9c s VAL 101 Ca -0.06 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1a9c s VAL 101 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1a9c s VAL 101 CO -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 175.10 175.07 1a9c s ARG 102 N 1.48 2.50 -1.36 2.72 1.70 -1.26 -1.24 118.95 123.49 1a9c s ARG 102 Ca 0.01 -1.17 -0.07 0.00 -0.47 0.00 0.00 55.73 54.03 1a9c s ARG 102 Cb -0.18 -2.36 0.03 0.00 -0.57 0.00 0.00 34.95 31.86 1a9c s ARG 102 CO 0.03 0.42 1.04 -0.25 -1.08 0.00 0.00 175.30 175.46 1a9c n ASP 103 N -0.53 -4.45 -4.67 -2.89 8.00 -1.09 -4.95 116.55 105.98 1a9c n ASP 103 Ca -0.08 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 1a9c n ASP 103 Cb 0.57 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 37.00 1a9c n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9c s ILE 104 N -3.37 3.97 0.17 0.53 1.01 0.41 -4.81 121.20 119.11 1a9c s ILE 104 Ca 0.41 1.25 -0.32 0.00 0.00 0.00 0.00 60.65 62.00 1a9c s ILE 104 Cb -0.19 -3.81 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 1a9c s ILE 104 CO 0.77 -0.06 1.79 0.41 0.00 0.00 0.00 174.94 177.84 1a9c n THR 105 N 5.07 0.19 -3.77 2.92 -1.04 -1.26 -1.01 114.28 115.38 1a9c n THR 105 Ca 0.14 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.88 1a9c n THR 105 Cb 0.44 -2.07 -0.17 0.00 -1.82 0.00 0.00 70.33 66.71 1a9c n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1a9c s LEU 106 N 1.99 0.66 -0.14 -4.42 0.20 -0.61 -4.80 118.68 111.58 1a9c s LEU 106 Ca 0.79 -0.16 0.00 0.00 0.69 0.00 0.00 54.13 55.45 1a9c s LEU 106 Cb -0.49 -0.47 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1a9c s LEU 106 CO 0.35 -0.20 -0.12 0.42 -0.29 0.00 0.00 176.35 176.50 1a9c s THR 107 N 1.95 1.40 0.10 3.68 -4.23 -1.26 -0.65 115.64 116.64 1a9c s THR 107 Ca 0.05 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1a9c s THR 107 Cb -0.13 -1.34 -0.00 0.00 1.34 0.00 0.00 72.50 72.37 1a9c s THR 107 CO -0.06 0.43 0.04 -0.24 -0.54 0.00 0.00 174.62 174.25 1a9c n SER 108 N 4.82 1.00 -3.94 3.99 2.88 0.18 -4.45 113.62 118.10 1a9c n SER 108 Ca -0.16 -1.56 -0.20 0.00 -1.33 0.00 0.00 58.87 55.62 1a9c n SER 108 Cb 0.50 0.27 -0.16 0.00 -0.75 0.00 0.00 64.21 64.07 1a9c n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a9c s THR 109 N -1.93 0.65 0.11 2.46 2.01 -1.25 -1.09 115.64 116.60 1a9c s THR 109 Ca 0.05 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1a9c s THR 109 Cb 0.00 -0.63 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 1a9c s THR 109 CO 0.04 0.24 1.15 -0.94 -0.69 0.00 0.00 174.62 174.42 1a9c s SER 110 N 0.66 7.16 0.51 3.53 1.04 0.41 -0.01 113.70 127.00 1a9c s SER 110 Ca -0.10 2.04 0.29 0.00 0.48 0.00 0.00 55.95 58.67 1a9c s SER 110 Cb -0.13 -2.59 1.20 0.00 0.10 0.00 0.00 66.02 64.61 1a9c s SER 110 CO 0.01 -0.36 1.93 1.05 0.98 0.00 0.00 173.24 176.85 1a9c h GLU 111 N 6.07 0.00 -0.15 4.02 4.11 -1.38 0.40 114.58 127.64 1a9c h GLU 111 Ca -0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.84 1a9c h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1a9c h GLU 111 CO 0.77 0.10 -0.59 0.45 0.07 0.00 0.00 179.01 179.81 1a9c h HIS 112 N 0.00 0.60 0.00 2.06 3.86 -1.91 -3.37 115.15 116.38 1a9c h HIS 112 Ca -0.00 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1a9c h HIS 112 Cb 0.59 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1a9c h HIS 112 CO 0.00 0.94 0.00 0.72 0.86 0.00 0.00 177.93 180.45 1a9c n HIS 113 N -3.93 0.00 -3.69 2.45 8.25 -1.22 -5.02 115.22 112.06 1a9c n HIS 113 Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 1a9c n HIS 113 Cb 0.62 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.79 1a9c n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a9c n PHE 114 N -0.00 -2.37 -4.63 4.41 3.01 0.14 -4.99 117.46 113.02 1a9c n PHE 114 Ca 0.00 0.93 -0.30 0.00 1.01 0.00 0.00 57.45 59.10 1a9c n PHE 114 Cb 0.16 -4.58 -0.14 0.00 -0.01 0.00 0.00 39.48 34.91 1a9c n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1a9c s VAL 115 N -3.40 2.25 0.21 -4.37 1.01 -1.23 -4.83 120.40 110.04 1a9c s VAL 115 Ca 0.38 -1.56 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 1a9c s VAL 115 Cb -0.18 -1.94 -0.15 0.00 0.00 0.00 0.00 36.38 34.10 1a9c s VAL 115 CO 0.78 0.22 1.00 0.41 0.00 0.00 0.00 175.10 177.52 1a9c n THR 116 N 1.32 1.42 -4.00 3.92 -1.04 -1.26 -0.45 114.28 114.19 1a9c n THR 116 Ca -0.17 -0.35 -0.30 0.00 -2.04 0.00 0.00 64.05 61.18 1a9c n THR 116 Cb 0.52 -0.73 -0.16 0.00 -1.82 0.00 0.00 70.33 68.14 1a9c n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a9c s ILE 117 N -0.62 1.53 -0.14 12.58 1.01 -0.25 -1.17 121.20 134.15 1a9c s ILE 117 Ca 0.67 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1a9c s ILE 117 Cb -0.83 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1a9c s ILE 117 CO 0.56 0.35 -0.20 -0.62 0.00 0.00 0.00 174.94 175.03 1a9c s ASP 118 N 1.49 2.96 0.00 3.58 2.15 -0.65 -0.65 116.67 125.55 1a9c s ASP 118 Ca 0.03 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1a9c s ASP 118 Cb -0.14 -1.37 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 1a9c s ASP 118 CO -0.10 0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 1a9c n GLY 119 N 4.23 2.44 2.92 2.66 0.00 0.17 -0.41 105.19 117.21 1a9c n GLY 119 Ca -0.20 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1a9c n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9c s LYS 120 N -1.28 0.06 0.11 1.61 1.02 0.03 -1.57 119.74 119.73 1a9c s LYS 120 Ca 0.00 0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.13 1a9c s LYS 120 Cb 0.00 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 1a9c s LYS 120 CO 0.00 -0.01 -0.08 0.00 -0.92 0.00 0.00 175.35 174.35 1a9c s ALA 121 N 0.03 3.03 -0.16 5.17 0.00 -0.18 -1.59 121.76 128.07 1a9c s ALA 121 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1a9c s ALA 121 Cb -0.00 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1a9c s ALA 121 CO 0.00 0.64 -0.09 0.99 0.00 0.00 0.00 175.76 177.30 1a9c s THR 122 N -1.28 1.32 -0.05 0.00 2.01 0.14 -0.44 115.64 117.34 1a9c s THR 122 Ca 0.23 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.65 1a9c s THR 122 Cb -0.11 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1a9c s THR 122 CO 0.15 0.27 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.44 1a9c s VAL 123 N 1.56 2.32 -0.00 3.82 1.01 -0.37 -0.99 120.40 127.75 1a9c s VAL 123 Ca 0.02 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 1a9c s VAL 123 Cb -0.14 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1a9c s VAL 123 CO -0.09 0.57 0.11 0.00 0.00 0.00 0.00 175.10 175.70 1a9c s ALA 124 N -0.36 -0.26 0.11 5.51 0.00 -0.58 -0.40 121.76 125.77 1a9c s ALA 124 Ca 0.03 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.65 1a9c s ALA 124 Cb -0.12 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.12 1a9c s ALA 124 CO 0.02 -0.19 0.46 1.52 0.00 0.00 0.00 175.76 177.57 1a9c s TYR 125 N -1.24 -0.31 -0.33 0.00 1.13 -0.69 -1.15 117.35 114.75 1a9c s TYR 125 Ca -0.13 0.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.57 1a9c s TYR 125 Cb -0.07 0.33 0.03 0.00 -1.10 0.00 0.00 41.96 41.14 1a9c s TYR 125 CO 0.01 -0.70 0.11 0.42 -2.51 0.00 0.00 175.55 172.88 1a9c s ILE 126 N -3.40 3.90 0.18 -3.49 1.01 -0.98 -0.37 121.20 118.05 1a9c s ILE 126 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 60.65 59.31 1a9c s ILE 126 Cb 0.01 -3.16 -0.14 0.00 0.01 0.00 0.00 42.46 39.17 1a9c s ILE 126 CO -0.09 -0.13 1.41 -2.65 0.00 0.00 0.00 174.94 173.48 1a9c n PRO 127 N 4.84 1.78 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.27 1a9c n PRO 127 Ca -0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1a9c n PRO 127 Cb 0.46 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1a9c n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a9c n LYS 128 N 2.50 0.00 0.07 -0.52 4.81 -1.26 -4.69 118.16 119.06 1a9c n LYS 128 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.57 1a9c n LYS 128 Cb 0.27 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.27 1a9c n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1a9c h ASP 129 N 0.00 0.00 -4.70 3.14 3.32 -1.90 -3.45 116.42 112.83 1a9c h ASP 129 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1a9c h ASP 129 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1a9c h ASP 129 CO 0.00 0.70 -0.70 -0.94 -1.72 0.00 0.00 179.24 176.58 1a9c s SER 130 N -6.29 1.04 -0.15 6.45 1.04 -1.26 -1.56 113.70 112.97 1a9c s SER 130 Ca 0.00 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.44 1a9c s SER 130 Cb 0.08 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1a9c s SER 130 CO 0.79 -0.47 -0.11 -0.69 0.98 0.00 0.00 173.24 173.74 1a9c s VAL 131 N -3.56 3.15 0.28 5.02 1.01 0.17 -4.75 120.40 121.72 1a9c s VAL 131 Ca 0.10 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1a9c s VAL 131 Cb 0.05 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 1a9c s VAL 131 CO -0.05 0.50 0.72 -0.51 0.00 0.00 0.00 175.10 175.76 1a9c s ILE 132 N 0.63 4.65 0.05 2.22 2.07 -1.26 -0.53 121.20 129.03 1a9c s ILE 132 Ca -0.06 1.06 -0.31 0.00 -1.41 0.00 0.00 60.65 59.93 1a9c s ILE 132 Cb -0.15 -3.70 -0.08 0.00 0.13 0.00 0.00 42.46 38.65 1a9c s ILE 132 CO 0.03 -0.03 1.65 -0.83 -1.91 0.00 0.00 174.94 173.85 1a9c s GLY 133 N -2.03 1.56 0.21 1.50 0.00 -0.78 -4.91 107.32 102.88 1a9c s GLY 133 Ca 0.49 1.17 -0.17 0.00 0.00 0.00 0.00 44.72 46.22 1a9c s GLY 133 CO 0.19 2.90 1.44 1.04 0.00 0.00 0.00 173.10 178.67 1a9c n LEU 134 N 5.78 -0.62 0.17 0.66 4.77 -1.26 -0.43 117.00 126.07 1a9c n LEU 134 Ca 0.16 1.62 0.15 0.00 -0.03 0.00 0.00 56.01 57.91 1a9c n LEU 134 Cb 0.41 -0.36 0.75 0.00 -2.33 0.00 0.00 43.42 41.88 1a9c n LEU 134 CO 0.63 -1.45 1.14 0.77 -1.33 0.00 0.00 177.39 177.14 1a9c h SER 135 N 0.00 0.00 -0.36 -1.43 4.64 -2.00 -1.68 113.55 112.72 1a9c h SER 135 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1a9c h SER 135 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1a9c h SER 135 CO -0.92 0.00 0.16 0.11 -0.87 0.00 0.00 176.83 175.31 1a9c h LYS 136 N 0.00 0.59 -0.36 4.77 1.79 -1.12 0.19 116.57 122.43 1a9c h LYS 136 Ca 0.10 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1a9c h LYS 136 Cb 0.46 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1a9c h LYS 136 CO -0.00 0.49 0.15 0.82 -1.08 0.00 0.00 179.45 179.83 1a9c h ILE 137 N 0.58 1.19 -0.36 1.86 2.04 -1.37 0.86 117.51 122.30 1a9c h ILE 137 Ca 0.14 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1a9c h ILE 137 Cb 0.13 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1a9c h ILE 137 CO -0.01 0.20 0.18 0.78 0.00 0.00 0.00 178.15 179.30 1a9c h ASN 138 N 0.43 0.48 -0.71 1.72 2.35 -1.42 -1.98 115.58 116.45 1a9c h ASN 138 Ca 0.12 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1a9c h ASN 138 Cb 0.18 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1a9c h ASN 138 CO -0.01 0.46 0.45 0.03 -1.65 0.00 0.00 177.43 176.72 1a9c h ARG 139 N 0.45 0.88 -0.41 0.81 3.08 -0.43 -1.14 114.38 117.63 1a9c h ARG 139 Ca 0.13 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1a9c h ARG 139 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1a9c h ARG 139 CO -0.02 0.58 0.17 0.82 -1.07 0.00 0.00 179.97 180.45 1a9c h ILE 140 N 0.90 1.19 0.11 2.04 2.04 -0.67 -0.24 117.51 122.89 1a9c h ILE 140 Ca 0.27 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1a9c h ILE 140 Cb -0.03 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1a9c h ILE 140 CO -0.09 0.22 -0.19 0.58 0.00 0.00 0.00 178.15 178.67 1a9c h VAL 141 N 0.51 0.56 -0.59 1.67 2.07 -0.89 -1.62 116.25 117.96 1a9c h VAL 141 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1a9c h VAL 141 Cb 0.18 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1a9c h VAL 141 CO -0.01 0.00 0.39 -0.61 0.02 0.00 0.00 177.57 177.36 1a9c h GLN 142 N -0.37 0.71 0.54 1.57 4.15 -1.07 -0.21 115.11 120.43 1a9c h GLN 142 Ca 0.02 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1a9c h GLN 142 Cb 0.39 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1a9c h GLN 142 CO -0.11 0.47 -0.40 0.35 -1.93 0.00 0.00 178.83 177.22 1a9c h PHE 143 N 0.73 -1.06 0.00 3.99 3.57 -0.10 -0.64 116.94 123.43 1a9c h PHE 143 Ca 0.23 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1a9c h PHE 143 Cb 0.02 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1a9c h PHE 143 CO -0.00 -0.58 -0.18 0.74 -2.23 0.00 0.00 178.31 176.06 1a9c h PHE 144 N -0.91 0.00 -0.20 0.41 0.04 -1.17 -2.48 116.94 112.63 1a9c h PHE 144 Ca -0.06 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 1a9c h PHE 144 Cb 0.76 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 1a9c h PHE 144 CO -0.15 0.18 -0.40 0.00 -0.60 0.00 0.00 178.31 177.34 1a9c h ALA 145 N 1.82 0.94 0.00 2.45 0.00 -0.52 -3.31 119.26 120.64 1a9c h ALA 145 Ca -0.00 -0.43 -0.46 0.00 0.00 0.00 0.00 54.91 54.02 1a9c h ALA 145 Cb 0.59 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1a9c h ALA 145 CO 0.02 0.63 2.63 1.04 0.00 0.00 0.00 179.25 183.57 1a9c n GLN 146 N -4.03 2.65 -3.58 0.00 1.13 -0.30 -4.16 117.38 109.10 1a9c n GLN 146 Ca -0.02 -1.64 -0.11 0.00 -1.94 0.00 0.00 57.00 53.30 1a9c n GLN 146 Cb 0.50 -2.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.32 1a9c n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a9c s ARG 147 N 2.56 1.20 -0.31 -1.09 0.52 -1.16 -0.68 118.95 119.99 1a9c s ARG 147 Ca 0.54 -0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 54.80 1a9c s ARG 147 Cb 0.16 0.52 -0.01 0.00 0.52 0.00 0.00 34.95 36.14 1a9c s ARG 147 CO -0.04 -0.50 1.48 -2.14 0.02 0.00 0.00 175.30 174.12 1a9c s PRO 148 N -3.80 3.72 0.48 3.54 0.02 -1.26 -3.83 135.00 133.86 1a9c s PRO 148 Ca 0.03 1.30 0.05 0.00 0.02 0.00 0.00 61.00 62.41 1a9c s PRO 148 Cb 0.00 -4.00 -0.01 0.00 0.02 0.00 0.00 34.50 30.51 1a9c s PRO 148 CO -0.11 -1.38 0.22 -0.65 -0.33 0.00 0.00 177.00 174.76 1a9c s GLN 149 N 4.69 2.23 -0.11 5.54 -1.52 0.99 -4.57 119.66 126.91 1a9c s GLN 149 Ca 0.65 -2.02 -0.03 0.00 -1.95 0.00 0.00 55.36 52.01 1a9c s GLN 149 Cb -0.19 -1.93 0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1a9c s GLN 149 CO 0.29 -0.34 0.05 0.08 -0.25 0.00 0.00 175.29 175.12 1a9c s VAL 150 N -2.71 0.12 0.33 1.09 1.01 -1.26 -1.16 120.40 117.81 1a9c s VAL 150 Ca 0.31 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.41 1a9c s VAL 150 Cb 0.01 -0.52 0.34 0.00 0.00 0.00 0.00 36.38 36.21 1a9c s VAL 150 CO 0.18 -0.01 1.63 -0.61 0.00 0.00 0.00 175.10 176.29 1a9c h GLN 151 N 8.37 0.18 -0.87 2.72 4.15 -1.99 0.31 115.11 127.98 1a9c h GLN 151 Ca -0.15 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.29 1a9c h GLN 151 Cb 1.13 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 1a9c h GLN 151 CO 0.25 0.12 0.58 0.93 -1.93 0.00 0.00 178.83 178.78 1a9c h GLU 152 N 0.19 1.06 -0.00 1.69 3.07 -1.99 -2.15 114.58 116.45 1a9c h GLU 152 Ca 0.69 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.45 1a9c h GLU 152 Cb 1.58 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1a9c h GLU 152 CO -0.69 0.70 -0.15 -0.09 -1.40 0.00 0.00 179.01 177.38 1a9c h ARG 153 N 1.10 0.10 -0.74 2.33 2.43 -0.86 -3.21 114.38 115.53 1a9c h ARG 153 Ca 0.35 -0.11 0.17 0.00 -0.81 0.00 0.00 59.98 59.58 1a9c h ARG 153 Cb 0.02 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.47 1a9c h ARG 153 CO -0.10 0.87 0.05 1.25 -1.51 0.00 0.00 179.97 180.52 1a9c h LEU 154 N -0.62 -0.26 -0.46 3.80 5.85 -1.01 0.15 115.31 122.76 1a9c h LEU 154 Ca -0.02 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1a9c h LEU 154 Cb 0.92 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1a9c h LEU 154 CO 0.03 -0.15 0.30 0.74 -0.34 0.00 0.00 178.44 179.02 1a9c h THR 155 N 0.13 1.10 -0.23 1.05 2.02 -1.49 -1.55 112.91 113.95 1a9c h THR 155 Ca 0.41 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1a9c h THR 155 Cb 0.72 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1a9c h THR 155 CO -0.62 0.11 0.12 1.56 0.37 0.00 0.00 175.52 177.06 1a9c h GLN 156 N 0.60 0.32 -0.12 6.66 1.08 -0.98 -1.61 115.11 121.07 1a9c h GLN 156 Ca 0.17 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1a9c h GLN 156 Cb -0.06 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1a9c h GLN 156 CO -0.04 0.29 -0.04 1.96 -0.95 0.00 0.00 178.83 180.05 1a9c h GLN 157 N 0.26 -0.02 -0.60 1.46 4.20 -0.55 -1.32 115.11 118.54 1a9c h GLN 157 Ca 0.08 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1a9c h GLN 157 Cb 0.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1a9c h GLN 157 CO -0.01 -0.02 0.32 0.82 -0.67 0.00 0.00 178.83 179.27 1a9c h ILE 158 N -0.02 0.97 0.10 2.54 2.04 -1.14 0.26 117.51 122.25 1a9c h ILE 158 Ca 0.06 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1a9c h ILE 158 Cb 0.11 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1a9c h ILE 158 CO -0.13 0.11 -0.19 0.25 0.00 0.00 0.00 178.15 178.19 1a9c h LEU 159 N 0.61 -0.53 -0.23 1.44 5.85 -0.80 -2.09 115.31 119.56 1a9c h LEU 159 Ca 0.26 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1a9c h LEU 159 Cb 0.15 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1a9c h LEU 159 CO -0.17 -0.27 0.11 0.40 -0.34 0.00 0.00 178.44 178.17 1a9c h ILE 160 N -0.36 1.14 -0.48 4.05 2.04 -0.75 -0.35 117.51 122.80 1a9c h ILE 160 Ca 0.03 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.57 1a9c h ILE 160 Cb 0.38 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.36 1a9c h ILE 160 CO -0.11 0.14 -0.06 0.00 0.00 0.00 0.00 178.15 178.12 1a9c h ALA 161 N 0.97 0.38 -0.08 1.87 0.00 -0.85 0.11 119.26 121.66 1a9c h ALA 161 Ca 0.08 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1a9c h ALA 161 Cb 0.12 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a9c h ALA 161 CO -0.01 -0.42 0.02 -0.07 0.00 0.00 0.00 179.25 178.77 1a9c h LEU 162 N 0.05 0.13 -0.89 0.00 3.38 -1.16 -1.45 115.31 115.36 1a9c h LEU 162 Ca 0.24 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1a9c h LEU 162 Cb 0.36 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1a9c h LEU 162 CO -0.45 0.33 0.50 1.56 0.09 0.00 0.00 178.44 180.48 1a9c h GLN 163 N -0.09 0.73 0.44 1.13 4.20 -0.51 0.30 115.11 121.32 1a9c h GLN 163 Ca 0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1a9c h GLN 163 Cb 0.26 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1a9c h GLN 163 CO 0.00 0.48 -0.21 1.15 -0.67 0.00 0.00 178.83 179.58 1a9c h THR 164 N 0.75 0.54 -0.58 -0.54 2.02 -0.79 -1.49 112.91 112.82 1a9c h THR 164 Ca 0.47 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1a9c h THR 164 Cb 0.58 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1a9c h THR 164 CO -0.32 0.05 0.09 -0.07 0.37 0.00 0.00 175.52 175.64 1a9c h LEU 165 N -0.77 0.90 0.00 2.58 3.38 -0.84 -3.11 115.31 117.45 1a9c h LEU 165 Ca -0.06 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1a9c h LEU 165 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1a9c h LEU 165 CO 0.10 0.91 -0.25 -0.07 0.09 0.00 0.00 178.44 179.22 1a9c h LEU 166 N 0.89 0.00 -0.25 1.67 3.38 -1.00 -3.48 115.31 116.51 1a9c h LEU 166 Ca 0.18 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1a9c h LEU 166 Cb 0.40 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.20 1a9c h LEU 166 CO 0.01 0.01 -0.30 0.61 0.09 0.00 0.00 178.44 178.86 1a9c n GLY 167 N 1.19 0.17 3.29 0.83 0.00 -0.58 -4.65 105.19 105.44 1a9c n GLY 167 Ca 0.04 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1a9c n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9c s THR 168 N -2.96 0.04 -0.73 2.61 2.01 -1.11 -4.89 115.64 110.61 1a9c s THR 168 Ca 0.20 -0.33 0.24 0.00 0.31 0.00 0.00 61.69 62.11 1a9c s THR 168 Cb -0.09 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.79 1a9c s THR 168 CO 0.24 -0.18 1.32 0.59 -0.69 0.00 0.00 174.62 175.90 1a9c n ASN 169 N 1.51 0.63 -4.04 3.53 3.02 -1.26 -4.36 115.26 114.29 1a9c n ASN 169 Ca -0.20 -0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 53.96 1a9c n ASN 169 Cb 0.56 0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.94 1a9c n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a9c n ASN 170 N -1.93 3.11 -3.97 6.41 3.02 -1.26 -1.47 115.26 119.18 1a9c n ASN 170 Ca 0.04 -2.73 -0.11 0.00 -0.03 0.00 0.00 54.58 51.75 1a9c n ASN 170 Cb 0.41 -1.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.02 1a9c n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a9c s VAL 171 N 6.58 0.20 -0.04 2.41 1.01 -1.24 -2.33 120.40 126.99 1a9c s VAL 171 Ca 0.59 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1a9c s VAL 171 Cb 0.09 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1a9c s VAL 171 CO 0.10 -0.30 0.09 0.00 0.00 0.00 0.00 175.10 174.98 1a9c s ALA 172 N -0.98 -0.15 -0.04 5.51 0.00 -0.30 0.03 121.76 125.82 1a9c s ALA 172 Ca -0.09 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1a9c s ALA 172 Cb -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1a9c s ALA 172 CO -0.00 -0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.60 1a9c s VAL 173 N 0.75 1.14 -0.02 0.00 1.01 -0.45 -1.53 120.40 121.30 1a9c s VAL 173 Ca -0.06 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1a9c s VAL 173 Cb -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1a9c s VAL 173 CO -0.03 0.34 -0.08 -0.55 0.00 0.00 0.00 175.10 174.78 1a9c s SER 174 N 0.22 1.07 -0.04 3.32 0.15 -0.16 -0.93 113.70 117.32 1a9c s SER 174 Ca -0.06 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1a9c s SER 174 Cb -0.11 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1a9c s SER 174 CO 0.02 0.07 -0.09 -0.63 1.20 0.00 0.00 173.24 173.81 1a9c s ILE 175 N 0.11 0.82 -0.17 6.45 1.01 0.16 -0.69 121.20 128.90 1a9c s ILE 175 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1a9c s ILE 175 Cb -0.07 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.65 1a9c s ILE 175 CO 0.00 0.27 -0.19 -0.62 0.00 0.00 0.00 174.94 174.40 1a9c s ASP 176 N 0.54 3.23 0.09 3.58 -1.08 -0.62 -1.02 116.67 121.39 1a9c s ASP 176 Ca -0.09 -0.61 -0.11 0.00 -0.52 0.00 0.00 52.55 51.22 1a9c s ASP 176 Cb -0.13 -1.49 0.01 0.00 -1.46 0.00 0.00 42.92 39.86 1a9c s ASP 176 CO 0.01 0.03 0.25 0.00 0.52 0.00 0.00 175.17 175.99 1a9c s ALA 177 N 1.11 -0.45 -0.17 3.66 0.00 0.13 -0.79 121.76 125.24 1a9c s ALA 177 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1a9c s ALA 177 Cb -0.14 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1a9c s ALA 177 CO -0.08 -0.52 -0.05 0.08 0.00 0.00 0.00 175.76 175.19 1a9c s VAL 178 N -3.58 3.62 -0.30 0.00 1.01 0.45 -0.72 120.40 120.87 1a9c s VAL 178 Ca 0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1a9c s VAL 178 Cb 0.03 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1a9c s VAL 178 CO -0.10 0.47 0.19 -1.00 0.00 0.00 0.00 175.10 174.67 1a9c s HIS 179 N 0.69 3.21 -0.81 5.22 3.76 -1.26 -1.64 115.29 124.46 1a9c s HIS 179 Ca -0.03 -0.12 0.18 0.00 -0.15 0.00 0.00 55.06 54.94 1a9c s HIS 179 Cb -0.15 -2.40 0.75 0.00 1.11 0.00 0.00 32.58 31.90 1a9c s HIS 179 CO 0.02 -0.28 1.55 0.66 -0.85 0.00 0.00 174.74 175.84 1a9c n TYR 180 N 5.05 0.30 1.81 1.40 4.02 -0.31 -1.21 117.16 128.22 1a9c n TYR 180 Ca -0.14 0.12 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 1a9c n TYR 180 Cb 0.51 -0.69 0.48 0.00 -0.02 0.00 0.00 39.34 39.62 1a9c n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c n VAL 182 N -0.51 0.05 -0.07 0.00 0.31 -0.35 -4.64 118.33 113.12 1a9c n VAL 182 Ca 0.14 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.32 1a9c n VAL 182 Cb 0.12 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.40 1a9c n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1a9c h LYS 183 N 0.00 0.00 0.00 5.55 3.64 -1.20 -1.13 116.57 123.44 1a9c h LYS 183 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a9c h LYS 183 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1a9c h LYS 183 CO -0.00 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.94 1a9c n ALA 184 N -2.86 2.07 -3.86 5.00 0.00 0.44 -4.15 120.51 117.15 1a9c n ALA 184 Ca -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 1a9c n ALA 184 Cb 0.42 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1a9c n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a9c s ARG 185 N -2.94 1.39 7.36 0.00 3.00 -1.24 -4.96 118.95 121.56 1a9c s ARG 185 Ca 0.13 -0.88 0.00 0.00 -1.00 0.00 0.00 55.73 53.98 1a9c s ARG 185 Cb 0.15 0.40 0.00 0.00 0.00 0.00 0.00 34.95 35.50 1a9c s ARG 185 CO 0.41 -0.65 0.00 0.41 0.00 0.00 0.00 175.30 175.47 1a9c n GLY 186 N -0.65 2.62 0.07 8.12 0.00 -1.26 -2.11 105.19 111.97 1a9c n GLY 186 Ca -0.04 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1a9c n GLY 186 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a9c n ILE 187 N 0.00 0.58 -4.08 -0.61 3.06 -1.26 -4.94 119.36 112.12 1a9c n ILE 187 Ca 0.00 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.95 1a9c n ILE 187 Cb 0.00 -0.78 -0.04 0.00 0.54 0.00 0.00 39.64 39.36 1a9c n ILE 187 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1a9c n ARG 188 N -1.95 -1.88 -2.82 9.51 1.74 -0.53 -4.89 116.66 115.83 1a9c n ARG 188 Ca 0.05 0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.95 1a9c n ARG 188 Cb 0.31 -3.90 -0.04 0.00 -1.02 0.00 0.00 32.46 27.81 1a9c n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a9c s ASP 189 N -4.20 6.34 0.14 0.55 -1.08 -0.57 -4.89 116.67 112.96 1a9c s ASP 189 Ca 0.10 -0.36 0.23 0.00 -0.52 0.00 0.00 52.55 52.01 1a9c s ASP 189 Cb -0.05 -2.44 0.90 0.00 -1.46 0.00 0.00 42.92 39.86 1a9c s ASP 189 CO 0.94 -1.26 1.70 0.00 0.52 0.00 0.00 175.17 177.07 1a9c n ALA 190 N 7.57 1.92 -0.07 3.66 0.00 -1.26 -4.10 120.51 128.22 1a9c n ALA 190 Ca 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 1a9c n ALA 190 Cb 0.47 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1a9c n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a9c n THR 191 N -1.95 0.91 -1.76 0.00 -2.24 -1.26 -5.05 114.28 102.93 1a9c n THR 191 Ca 0.04 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1a9c n THR 191 Cb 0.28 -0.74 0.06 0.00 -2.10 0.00 0.00 70.33 67.83 1a9c n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a9c s SER 192 N -4.81 4.72 -0.00 3.42 1.04 -1.26 -5.05 113.70 111.75 1a9c s SER 192 Ca -0.10 2.64 -0.05 0.00 0.48 0.00 0.00 55.95 58.92 1a9c s SER 192 Cb 0.04 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 1a9c s SER 192 CO 0.51 -1.93 0.10 0.00 0.98 0.00 0.00 173.24 172.90 1a9c s ALA 193 N -1.39 -0.22 -0.08 5.32 0.00 -1.26 -4.77 121.76 119.35 1a9c s ALA 193 Ca 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1a9c s ALA 193 Cb -0.38 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1a9c s ALA 193 CO 0.40 -0.17 -0.04 0.99 0.00 0.00 0.00 175.76 176.95 1a9c s THR 194 N -1.12 3.97 -0.11 0.00 2.01 0.10 -4.93 115.64 115.56 1a9c s THR 194 Ca -0.12 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1a9c s THR 194 Cb -0.07 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1a9c s THR 194 CO 0.01 0.60 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.49 1a9c s THR 195 N -0.78 1.54 0.01 -0.82 2.01 -1.26 -0.69 115.64 115.64 1a9c s THR 195 Ca 0.12 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1a9c s THR 195 Cb -0.11 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1a9c s THR 195 CO 0.02 0.45 -0.17 0.42 -0.69 0.00 0.00 174.62 174.65 1a9c s THR 196 N 0.97 1.33 0.02 -0.82 -4.23 -0.19 -4.99 115.64 107.73 1a9c s THR 196 Ca -0.07 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1a9c s THR 196 Cb -0.15 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1a9c s THR 196 CO -0.01 0.26 -0.04 0.42 -0.54 0.00 0.00 174.62 174.70 1a9c s THR 197 N -0.56 0.27 -0.08 3.99 -4.23 -1.26 -0.67 115.64 113.10 1a9c s THR 197 Ca 0.06 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1a9c s THR 197 Cb -0.07 -0.34 0.02 0.00 1.34 0.00 0.00 72.50 73.46 1a9c s THR 197 CO 0.00 -0.27 -0.05 -0.94 -0.54 0.00 0.00 174.62 172.82 1a9c s SER 198 N -1.01 1.74 -0.05 3.99 1.04 -0.11 -5.00 113.70 114.30 1a9c s SER 198 Ca -0.08 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1a9c s SER 198 Cb -0.07 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 1a9c s SER 198 CO -0.00 -0.12 -0.10 -0.76 0.98 0.00 0.00 173.24 173.24 1a9c s LEU 199 N 1.55 3.00 0.17 2.42 1.43 -1.26 -1.34 118.68 124.65 1a9c s LEU 199 Ca 0.00 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1a9c s LEU 199 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1a9c s LEU 199 CO -0.05 0.34 -0.15 -0.83 0.23 0.00 0.00 176.35 175.90 1a9c s GLY 200 N -0.88 1.29 0.00 -3.19 0.00 0.10 -4.72 107.32 99.92 1a9c s GLY 200 Ca 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1a9c s GLY 200 CO 0.02 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1a9c n GLY 201 N 0.04 2.88 0.33 0.20 0.00 -0.54 -1.64 105.19 106.46 1a9c n GLY 201 Ca -0.11 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 45.95 1a9c n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9c h LEU 202 N 0.00 0.00 -0.74 0.99 3.38 -1.94 -0.46 115.31 116.54 1a9c h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9c h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a9c h LEU 202 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1a9c n PHE 203 N -4.18 0.53 -0.04 1.13 3.72 -0.65 -0.77 117.46 117.19 1a9c n PHE 203 Ca 0.03 0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.60 1a9c n PHE 203 Cb 0.35 -0.89 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 1a9c n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1a9c n LYS 204 N -2.01 0.21 0.20 -1.08 4.81 -0.28 -4.08 118.16 115.92 1a9c n LYS 204 Ca 0.01 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1a9c n LYS 204 Cb 0.11 -1.03 -0.07 0.00 0.02 0.00 0.00 35.03 34.06 1a9c n LYS 204 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1a9c h SER 205 N -0.14 -0.45 -3.52 3.14 0.02 -1.21 -3.42 113.55 107.97 1a9c h SER 205 Ca -0.21 -0.12 -0.59 0.00 -0.84 0.00 0.00 61.79 60.03 1a9c h SER 205 Cb 1.26 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.82 1a9c h SER 205 CO -0.08 -0.07 0.63 -0.55 -1.14 0.00 0.00 176.83 175.62 1a9c s SER 206 N -4.95 6.66 0.48 3.07 0.15 0.05 -4.91 113.70 114.25 1a9c s SER 206 Ca -0.13 0.52 0.20 0.00 0.70 0.00 0.00 55.95 57.24 1a9c s SER 206 Cb 0.02 -2.47 1.19 0.00 -1.71 0.00 0.00 66.02 63.05 1a9c s SER 206 CO 0.48 -0.91 2.02 -0.61 1.20 0.00 0.00 173.24 175.43 1a9c h GLN 207 N 8.59 0.00 0.43 5.44 4.15 -1.82 0.13 115.11 132.02 1a9c h GLN 207 Ca -0.23 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1a9c h GLN 207 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1a9c h GLN 207 CO 1.00 0.16 -0.20 -0.97 -1.93 0.00 0.00 178.83 176.89 1a9c h ASN 208 N 0.00 -0.48 0.22 -0.69 -1.24 -1.91 -1.08 115.58 110.40 1a9c h ASN 208 Ca -0.00 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1a9c h ASN 208 Cb 0.33 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1a9c h ASN 208 CO 0.02 -0.20 -0.11 0.74 -1.29 0.00 0.00 177.43 176.59 1a9c h THR 209 N -0.77 0.82 -0.63 -3.57 2.02 -1.69 -2.53 112.91 106.56 1a9c h THR 209 Ca -0.06 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.05 1a9c h THR 209 Cb 0.53 0.93 -0.12 0.00 -1.74 0.00 0.00 68.15 67.75 1a9c h THR 209 CO 0.10 0.04 -0.32 -0.09 0.37 0.00 0.00 175.52 175.61 1a9c h ARG 210 N -0.38 -0.13 -0.12 6.66 2.43 -0.75 -0.60 114.38 121.48 1a9c h ARG 210 Ca -0.03 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1a9c h ARG 210 Cb 0.29 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1a9c h ARG 210 CO 0.05 -0.09 -0.40 0.45 -1.51 0.00 0.00 179.97 178.47 1a9c h HIS 211 N -0.14 0.30 -0.97 2.20 3.86 -1.18 -1.85 115.15 117.38 1a9c h HIS 211 Ca 0.25 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1a9c h HIS 211 Cb 0.55 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1a9c h HIS 211 CO -0.64 0.62 0.64 0.93 0.86 0.00 0.00 177.93 180.33 1a9c h GLU 212 N 0.22 1.25 0.06 2.45 5.08 -0.68 0.10 114.58 123.05 1a9c h GLU 212 Ca 0.02 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1a9c h GLU 212 Cb 0.80 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1a9c h GLU 212 CO 0.06 0.83 -0.03 0.35 -1.00 0.00 0.00 179.01 179.22 1a9c h PHE 213 N 1.29 -0.07 -0.98 4.33 3.57 -1.16 -2.82 116.94 121.09 1a9c h PHE 213 Ca 0.36 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.92 1a9c h PHE 213 Cb -0.11 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1a9c h PHE 213 CO -0.00 0.39 0.64 -0.07 -2.23 0.00 0.00 178.31 177.03 1a9c h LEU 214 N -0.56 1.03 -0.92 0.59 3.38 -1.06 -0.77 115.31 117.00 1a9c h LEU 214 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a9c h LEU 214 Cb 0.49 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1a9c h LEU 214 CO 0.01 0.66 0.53 -0.09 0.09 0.00 0.00 178.44 179.65 1a9c h ARG 215 N 1.17 1.26 0.00 1.13 2.43 -0.84 -2.36 114.38 117.16 1a9c h ARG 215 Ca 0.42 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1a9c h ARG 215 Cb 0.14 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1a9c h ARG 215 CO -0.16 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 1a9c h ALA 216 N 1.29 1.00 -2.83 2.80 0.00 -0.90 -3.45 119.26 117.17 1a9c h ALA 216 Ca 0.33 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.72 1a9c h ALA 216 Cb -0.02 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.83 1a9c h ALA 216 CO -0.06 0.00 0.58 0.08 0.00 0.00 0.00 179.25 179.85 1a9c s VAL 217 N -3.62 2.89 0.05 0.00 1.01 -0.78 -4.78 120.40 115.17 1a9c s VAL 217 Ca 0.02 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1a9c s VAL 217 Cb 0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1a9c s VAL 217 CO 0.54 0.15 0.00 -1.14 0.00 0.00 0.00 175.10 174.66 1a9c n ARG 218 N 0.49 -1.08 -3.69 2.72 3.00 -1.26 -5.04 116.66 111.80 1a9c n ARG 218 Ca 0.02 1.11 -0.13 0.00 -0.00 0.00 0.00 57.85 58.85 1a9c n ARG 218 Cb 0.44 -0.83 -0.13 0.00 0.00 0.00 0.00 32.46 31.94 1a9c n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a9c s HIS 219 N -0.26 -0.37 0.11 -0.14 3.76 -1.26 -5.13 115.29 112.00 1a9c s HIS 219 Ca 0.00 0.88 -0.31 0.00 -0.15 0.00 0.00 55.06 55.48 1a9c s HIS 219 Cb 0.00 -0.03 -0.09 0.00 1.11 0.00 0.00 32.58 33.58 1a9c s HIS 219 CO 0.00 -0.31 1.59 -1.01 -0.85 0.00 0.00 174.74 174.16 1a9c s HIS 220 N 2.01 2.76 0.00 1.40 3.76 -1.26 -4.94 115.29 119.02 1a9c s HIS 220 Ca -0.02 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1a9c s HIS 220 Cb -0.11 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1a9c s HIS 220 CO -0.08 -3.52 0.00 0.09 -0.85 0.00 0.00 174.74 170.38