#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 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 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 -1.35 4.49 0.78 2.46 1.43 -1.26 -4.92 118.68 120.31 1a9c s LEU 3 Ca 0.00 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 1a9c s LEU 3 Cb 0.00 -3.37 0.06 0.00 0.03 0.00 0.00 46.19 42.91 1a9c s LEU 3 CO 0.00 0.15 1.09 -0.94 0.23 0.00 0.00 176.35 176.87 1a9c s SER 4 N -1.33 4.64 0.24 2.29 1.04 -1.26 -4.81 113.70 114.52 1a9c s SER 4 Ca 0.38 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 58.22 1a9c s SER 4 Cb -0.20 -2.22 0.41 0.00 0.10 0.00 0.00 66.02 64.11 1a9c s SER 4 CO 0.24 -1.90 1.79 0.11 0.98 0.00 0.00 173.24 174.46 1a9c h LYS 5 N -1.04 0.67 0.11 4.02 1.57 -1.99 -1.08 116.57 118.83 1a9c h LYS 5 Ca -0.46 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1a9c h LYS 5 Cb 1.25 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1a9c h LYS 5 CO 0.57 0.44 -0.05 0.93 -0.57 0.00 0.00 179.45 180.77 1a9c h GLU 6 N 0.69 -0.15 -0.47 3.15 3.07 -1.97 0.23 114.58 119.14 1a9c h GLU 6 Ca 0.40 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.34 1a9c h GLU 6 Cb 0.44 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 1a9c h GLU 6 CO -0.28 -0.07 0.14 0.00 -1.40 0.00 0.00 179.01 177.39 1a9c h ALA 7 N 0.71 0.55 0.09 3.43 0.00 -1.75 0.63 119.26 122.92 1a9c h ALA 7 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a9c h ALA 7 Cb 0.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a9c h ALA 7 CO 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 1a9c h ALA 8 N 1.34 -0.12 0.06 0.00 0.00 -0.99 -0.95 119.26 118.60 1a9c h ALA 8 Ca 0.23 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1a9c h ALA 8 Cb 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1a9c h ALA 8 CO -0.26 -0.56 -0.22 -0.07 0.00 0.00 0.00 179.25 178.13 1a9c h LEU 9 N -0.12 -0.63 -0.13 0.00 3.38 -0.14 -0.86 115.31 116.81 1a9c h LEU 9 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1a9c h LEU 9 Cb 0.09 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1a9c h LEU 9 CO 0.02 -0.30 -0.02 0.58 0.09 0.00 0.00 178.44 178.81 1a9c h VAL 10 N -0.38 0.88 -0.38 1.22 2.07 -0.85 -0.58 116.25 118.23 1a9c h VAL 10 Ca 0.04 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1a9c h VAL 10 Cb 0.43 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1a9c h VAL 10 CO -0.16 0.00 0.04 -0.74 0.02 0.00 0.00 177.57 176.73 1a9c h HIS 11 N 0.02 0.05 -0.12 1.57 -0.00 -0.88 -0.88 115.15 114.91 1a9c h HIS 11 Ca 0.06 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1a9c h HIS 11 Cb 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1a9c h HIS 11 CO -0.16 -0.03 0.08 0.93 -0.00 0.00 0.00 177.93 178.74 1a9c h GLU 12 N 0.15 0.16 -0.59 5.26 5.08 -0.90 -1.67 114.58 122.08 1a9c h GLU 12 Ca 0.18 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1a9c h GLU 12 Cb 0.24 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1a9c h GLU 12 CO -0.28 0.14 0.12 0.00 -1.00 0.00 0.00 179.01 178.00 1a9c h ALA 13 N 1.01 0.69 0.12 3.43 0.00 -0.52 0.19 119.26 124.18 1a9c h ALA 13 Ca 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1a9c h ALA 13 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a9c h ALA 13 CO -0.01 -0.30 -0.06 -0.07 0.00 0.00 0.00 179.25 178.81 1a9c h LEU 14 N 0.26 -0.14 -0.49 0.00 3.38 -0.99 -1.95 115.31 115.39 1a9c h LEU 14 Ca 0.31 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1a9c h LEU 14 Cb 0.45 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1a9c h LEU 14 CO -0.39 -0.00 0.19 0.58 0.09 0.00 0.00 178.44 178.90 1a9c h VAL 15 N -0.26 0.86 -0.37 1.22 2.07 -0.44 0.21 116.25 119.53 1a9c h VAL 15 Ca -0.02 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1a9c h VAL 15 Cb 0.21 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1a9c h VAL 15 CO 0.03 0.07 0.08 0.00 0.02 0.00 0.00 177.57 177.77 1a9c h ALA 16 N 1.31 0.41 0.00 1.67 0.00 -0.50 0.14 119.26 122.29 1a9c h ALA 16 Ca 0.23 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1a9c h ALA 16 Cb 0.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a9c h ALA 16 CO -0.22 -0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.25 1a9c n ARG 17 N -5.08 0.33 -1.44 0.00 3.00 -0.75 -4.88 116.66 107.84 1a9c n ARG 17 Ca 0.02 0.04 -0.05 0.00 -0.01 0.00 0.00 57.85 57.85 1a9c n ARG 17 Cb 0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.11 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 0.95 0.56 1.17 -0.13 0.00 0.04 -4.94 105.19 102.84 1a9c n GLY 18 Ca 0.12 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.58 3.60 -4.81 0.99 4.77 -0.10 -4.99 117.00 115.89 1a9c n LEU 19 Ca -0.05 -1.81 -0.31 0.00 -0.03 0.00 0.00 56.01 53.80 1a9c n LEU 19 Cb 0.28 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1a9c n LEU 19 CO 0.07 0.86 0.71 -1.61 -1.33 0.00 0.00 177.39 176.09 1a9c s GLU 20 N -1.15 3.01 0.23 3.23 0.41 -1.24 -4.79 118.70 118.41 1a9c s GLU 20 Ca 0.41 1.04 -0.30 0.00 -0.41 0.00 0.00 54.97 55.71 1a9c s GLU 20 Cb 0.22 -2.00 -0.09 0.00 -1.78 0.00 0.00 34.13 30.49 1a9c s GLU 20 CO 0.30 -1.05 1.18 0.99 -0.49 0.00 0.00 175.26 176.19 1a9c s THR 21 N -2.87 3.44 -0.69 3.63 2.01 -1.26 -4.88 115.64 115.02 1a9c s THR 21 Ca 0.60 1.31 -0.26 0.00 0.31 0.00 0.00 61.69 63.65 1a9c s THR 21 Cb -0.15 -3.83 -0.13 0.00 0.01 0.00 0.00 72.50 68.40 1a9c s THR 21 CO 0.50 0.25 2.46 -2.65 -0.69 0.00 0.00 174.62 174.50 1a9c n PRO 22 N 1.89 0.65 -4.82 4.92 -0.02 -1.26 -4.93 135.00 131.44 1a9c n PRO 22 Ca 0.02 -0.15 -0.25 0.00 -2.02 0.00 0.00 63.50 61.10 1a9c n PRO 22 Cb 0.44 -2.89 -0.15 0.00 -0.02 0.00 0.00 33.50 30.88 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 11.15 2.07 -0.08 2.45 1.43 -1.26 -5.13 118.68 129.30 1a9c s LEU 23 Ca 1.08 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1a9c s LEU 23 Cb -0.45 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1a9c s LEU 23 CO 0.30 0.20 0.13 -0.13 0.23 0.00 0.00 176.35 177.08 1a9c s ARG 24 N -0.62 3.35 0.64 1.70 0.52 -1.26 -5.07 118.95 118.21 1a9c s ARG 24 Ca 0.07 -0.23 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 1a9c s ARG 24 Cb -0.07 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1a9c s ARG 24 CO -0.00 0.74 1.23 -0.35 0.02 0.00 0.00 175.30 176.94 1a9c n PRO 25 N 1.73 1.09 -1.53 3.54 -0.04 -1.26 -4.73 135.00 133.80 1a9c n PRO 25 Ca -0.17 0.43 -0.28 0.00 -0.04 0.00 0.00 63.50 63.43 1a9c n PRO 25 Cb 0.54 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.42 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 -1.71 0.39 -0.23 0.54 -0.04 -1.26 -4.78 135.00 127.92 1a9c n PRO 26 Ca 0.15 -0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1a9c n PRO 26 Cb 0.48 -2.40 0.26 0.00 -0.04 0.00 0.00 33.50 31.81 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 7.43 -0.28 -3.69 0.52 0.31 -1.26 -4.49 118.33 116.87 1a9c n VAL 27 Ca 0.55 1.44 -0.14 0.00 -0.01 0.00 0.00 64.34 66.18 1a9c n VAL 27 Cb 0.28 -2.18 -0.07 0.00 -0.91 0.00 0.00 33.84 30.96 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 -5.39 -0.28 -1.10 3.52 3.76 -1.26 -5.07 115.29 109.48 1a9c s HIS 28 Ca -0.08 0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.97 1a9c s HIS 28 Cb 0.21 0.18 -0.14 0.00 1.11 0.00 0.00 32.58 33.94 1a9c s HIS 28 CO 0.53 -0.49 2.03 -1.21 -0.85 0.00 0.00 174.74 174.75 1a9c s GLU 29 N -1.70 1.95 -0.12 1.40 2.02 -1.26 -4.90 118.70 116.08 1a9c s GLU 29 Ca -0.10 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.11 1a9c s GLU 29 Cb -0.03 -5.10 -0.04 0.00 0.10 0.00 0.00 34.13 29.06 1a9c s GLU 29 CO 0.03 -4.54 0.14 -1.64 0.02 0.00 0.00 175.26 169.27 1a9c s MET 30 N 7.42 3.43 0.46 1.61 -1.94 -1.26 -5.08 119.30 123.93 1a9c s MET 30 Ca 0.75 -0.14 -0.21 0.00 -1.71 0.00 0.00 55.69 54.38 1a9c s MET 30 Cb -0.04 -3.18 -0.09 0.00 2.01 0.00 0.00 34.83 33.53 1a9c s MET 30 CO 0.13 0.78 1.01 -0.51 -0.01 0.00 0.00 175.02 176.43 1a9c s ASP 31 N -1.03 6.57 0.56 3.03 1.11 -1.26 -4.88 116.67 120.76 1a9c s ASP 31 Ca 0.15 1.87 0.25 0.00 0.18 0.00 0.00 52.55 55.00 1a9c s ASP 31 Cb -0.12 -2.56 1.58 0.00 1.07 0.00 0.00 42.92 42.89 1a9c s ASP 31 CO 0.04 -0.62 2.19 0.78 1.18 0.00 0.00 175.17 178.75 1a9c h ASN 32 N 1.79 0.00 -0.36 0.27 4.21 -1.98 -0.21 115.58 119.30 1a9c h ASN 32 Ca -0.49 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.01 1a9c h ASN 32 Cb 1.21 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.39 1a9c h ASN 32 CO 0.60 0.02 0.18 -0.33 -1.29 0.00 0.00 177.43 176.62 1a9c h GLU 33 N 0.00 0.51 -0.22 0.81 5.08 -1.99 0.22 114.58 118.99 1a9c h GLU 33 Ca -0.00 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1a9c h GLU 33 Cb 0.05 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1a9c h GLU 33 CO 0.00 0.44 -0.53 1.79 -1.00 0.00 0.00 179.01 179.72 1a9c h THR 34 N 0.45 1.31 -0.60 1.13 1.35 -1.46 -1.56 112.91 113.52 1a9c h THR 34 Ca 0.12 -1.75 -0.02 0.00 -0.55 0.00 0.00 66.41 64.21 1a9c h THR 34 Cb 0.09 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1a9c h THR 34 CO -0.02 0.55 0.31 0.03 -0.25 0.00 0.00 175.52 176.14 1a9c h ARG 35 N 0.50 0.86 -0.15 4.72 3.08 -0.83 -0.69 114.38 121.86 1a9c h ARG 35 Ca 0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1a9c h ARG 35 Cb 1.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1a9c h ARG 35 CO 0.11 0.67 0.08 0.87 -1.07 0.00 0.00 179.97 180.63 1a9c h LYS 36 N 0.82 0.22 -0.92 0.04 1.57 -0.42 0.55 116.57 118.44 1a9c h LYS 36 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1a9c h LYS 36 Cb 0.09 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1a9c h LYS 36 CO -0.03 0.26 0.58 0.66 -0.57 0.00 0.00 179.45 180.35 1a9c h SER 37 N 0.13 1.08 -0.41 0.86 4.64 -1.05 0.13 113.55 118.93 1a9c h SER 37 Ca 0.05 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1a9c h SER 37 Cb 0.11 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1a9c h SER 37 CO -0.01 0.81 0.11 -0.07 -0.87 0.00 0.00 176.83 176.80 1a9c h LEU 38 N 1.25 0.61 -0.37 5.97 3.38 -0.79 0.17 115.31 125.54 1a9c h LEU 38 Ca 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1a9c h LEU 38 Cb -0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1a9c h LEU 38 CO -0.07 0.68 0.21 0.40 0.09 0.00 0.00 178.44 179.75 1a9c h ILE 39 N 0.52 1.14 -0.88 1.22 2.04 -0.36 -1.88 117.51 119.30 1a9c h ILE 39 Ca 0.13 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1a9c h ILE 39 Cb 0.30 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1a9c h ILE 39 CO -0.00 0.14 0.58 0.00 0.00 0.00 0.00 178.15 178.87 1a9c h ALA 40 N 1.08 1.43 -0.32 1.87 0.00 -0.53 -0.78 119.26 122.01 1a9c h ALA 40 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a9c h ALA 40 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1a9c h ALA 40 CO -0.02 0.49 0.18 0.78 0.00 0.00 0.00 179.25 180.68 1a9c h GLY 41 N 1.12 0.44 1.26 0.00 0.00 -0.21 0.22 103.07 105.89 1a9c h GLY 41 Ca 0.34 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1a9c h GLY 41 CO -0.10 0.12 0.14 0.45 0.00 0.00 0.00 176.54 177.15 1a9c h HIS 42 N 0.37 0.96 -0.36 5.60 -0.00 -0.61 -2.12 115.15 118.99 1a9c h HIS 42 Ca 0.13 -0.10 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 1a9c h HIS 42 Cb 0.01 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 1a9c h HIS 42 CO -0.08 0.80 -0.18 0.52 -0.00 0.00 0.00 177.93 178.99 1a9c h MET 43 N 0.88 0.66 -0.09 2.45 2.86 -0.59 -0.42 114.93 120.68 1a9c h MET 43 Ca 0.19 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1a9c h MET 43 Cb 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1a9c h MET 43 CO 0.00 0.80 0.01 1.15 1.06 0.00 0.00 176.91 179.93 1a9c h THR 44 N 0.59 0.95 0.13 2.22 2.02 -0.48 0.92 112.91 119.26 1a9c h THR 44 Ca 0.09 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1a9c h THR 44 Cb 0.63 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1a9c h THR 44 CO 0.04 0.01 -0.17 -0.33 0.37 0.00 0.00 175.52 175.45 1a9c h GLU 45 N 0.05 -0.33 -0.64 6.66 4.39 -1.04 -0.36 114.58 123.31 1a9c h GLU 45 Ca 0.04 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1a9c h GLU 45 Cb 0.04 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1a9c h GLU 45 CO -0.06 -0.22 0.33 0.82 -1.16 0.00 0.00 179.01 178.71 1a9c h ILE 46 N -0.34 0.91 -0.73 3.13 2.04 -0.80 0.17 117.51 121.89 1a9c h ILE 46 Ca 0.01 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1a9c h ILE 46 Cb 0.34 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1a9c h ILE 46 CO -0.07 0.11 0.26 0.24 0.00 0.00 0.00 178.15 178.69 1a9c h MET 47 N 0.59 1.10 -0.67 2.37 2.86 -0.56 -1.68 114.93 118.95 1a9c h MET 47 Ca 0.30 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1a9c h MET 47 Cb 0.25 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1a9c h MET 47 CO -0.22 0.91 0.10 1.96 1.06 0.00 0.00 176.91 180.73 1a9c h GLN 48 N 1.07 1.11 0.00 1.72 4.20 0.16 -1.45 115.11 121.91 1a9c h GLN 48 Ca 0.24 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1a9c h GLN 48 Cb 0.25 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1a9c h GLN 48 CO -0.01 1.02 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.05 1a9c h LEU 49 N 1.04 0.00 -1.01 1.46 3.38 0.03 0.20 115.31 120.41 1a9c h LEU 49 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1a9c h LEU 49 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1a9c h LEU 49 CO 0.01 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.76 1a9c n LEU 50 N -3.37 1.56 -1.04 1.67 4.77 -0.60 -4.93 117.00 115.06 1a9c n LEU 50 Ca -0.02 -0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 55.31 1a9c n LEU 50 Cb 0.16 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1a9c n LEU 50 CO 0.25 0.27 -0.12 0.59 -1.33 0.00 0.00 177.39 177.06 1a9c n ASN 51 N 0.22 -3.86 -4.75 -1.43 3.02 0.06 -5.01 115.26 103.51 1a9c n ASN 51 Ca 0.18 0.11 -0.40 0.00 -0.03 0.00 0.00 54.58 54.45 1a9c n ASN 51 Cb 0.35 -2.74 -0.06 0.00 -0.61 0.00 0.00 39.78 36.72 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 -2.78 4.61 -1.10 3.41 1.43 -0.88 -4.95 118.68 118.41 1a9c s LEU 52 Ca 0.00 2.02 -0.20 0.00 -1.03 0.00 0.00 54.13 54.91 1a9c s LEU 52 Cb 0.00 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.65 1a9c s LEU 52 CO 0.00 0.07 1.48 -0.62 0.23 0.00 0.00 176.35 177.51 1a9c s ASP 53 N -1.14 6.66 0.00 2.29 2.15 -1.26 -4.62 116.67 120.75 1a9c s ASP 53 Ca 0.42 -1.94 0.00 0.00 0.43 0.00 0.00 52.55 51.47 1a9c s ASP 53 Cb -0.27 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.84 1a9c s ASP 53 CO 0.34 -1.29 0.80 0.18 -0.17 0.00 0.00 175.17 175.03 1a9c n LEU 54 N 8.15 0.00 -0.05 -1.34 4.77 -1.26 -1.05 117.00 126.22 1a9c n LEU 54 Ca 0.36 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 1a9c n LEU 54 Cb 0.49 -0.28 0.53 0.00 -2.33 0.00 0.00 43.42 41.82 1a9c n LEU 54 CO 0.66 -0.28 0.80 0.00 -1.33 0.00 0.00 177.39 177.24 1a9c n ALA 55 N -1.28 2.82 -2.16 -1.18 0.00 -1.26 -3.42 120.51 114.02 1a9c n ALA 55 Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1a9c n ALA 55 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.76 6.84 0.34 0.00 2.15 -0.21 -4.86 116.67 118.16 1a9c s ASP 56 Ca 0.20 2.33 0.14 0.00 0.43 0.00 0.00 52.55 55.65 1a9c s ASP 56 Cb 0.19 -2.59 1.11 0.00 -0.30 0.00 0.00 42.92 41.33 1a9c s ASP 56 CO 0.55 -0.63 1.62 -2.24 -0.17 0.00 0.00 175.17 174.29 1a9c h ASP 57 N 6.62 0.27 0.17 -0.34 2.03 -1.89 0.91 116.42 124.19 1a9c h ASP 57 Ca -0.42 0.23 -0.01 0.00 -0.73 0.00 0.00 57.03 56.10 1a9c h ASP 57 Cb 1.21 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.95 1a9c h ASP 57 CO 0.85 -0.28 -0.08 -1.28 -1.03 0.00 0.00 179.24 177.42 1a9c h SER 58 N 0.15 -0.19 -0.71 4.15 0.87 -1.95 -3.35 113.55 112.52 1a9c h SER 58 Ca 0.75 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 61.50 1a9c h SER 58 Cb 1.79 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.77 1a9c h SER 58 CO -0.71 0.06 0.50 -0.07 -0.53 0.00 0.00 176.83 176.07 1a9c h LEU 59 N -0.62 0.11 -1.10 2.23 3.38 -1.77 -3.10 115.31 114.45 1a9c h LEU 59 Ca -0.02 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.26 1a9c h LEU 59 Cb 0.18 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 1a9c h LEU 59 CO 0.04 0.05 0.62 -0.03 0.09 0.00 0.00 178.44 179.21 1a9c h MET 60 N 0.11 0.37 -0.24 1.13 4.05 -0.85 -1.89 114.93 117.61 1a9c h MET 60 Ca 0.34 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1a9c h MET 60 Cb 1.20 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1a9c h MET 60 CO -0.04 0.25 0.00 0.39 0.23 0.00 0.00 176.91 177.73 1a9c n GLU 61 N -4.91 2.30 -0.25 0.39 1.02 -1.17 -4.55 120.64 113.48 1a9c n GLU 61 Ca 0.30 -2.07 -0.02 0.00 -0.02 0.00 0.00 57.16 55.35 1a9c n GLU 61 Cb 0.95 -1.46 0.09 0.00 -0.02 0.00 0.00 31.44 31.00 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 4.28 1.04 -0.88 2.62 2.02 -1.51 -0.78 112.91 119.69 1a9c h THR 62 Ca 0.00 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 66.99 1a9c h THR 62 Cb 0.94 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 1a9c h THR 62 CO 0.00 0.15 0.54 -0.65 0.37 0.00 0.00 175.52 175.92 1a9c h PRO 63 N 0.80 0.91 0.01 6.66 0.11 -1.80 0.17 132.00 138.85 1a9c h PRO 63 Ca 0.30 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1a9c h PRO 63 Cb 0.10 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1a9c h PRO 63 CO -0.14 0.60 -0.01 0.45 -0.21 0.00 0.00 178.00 178.69 1a9c h HIS 64 N 0.93 -0.02 -0.67 0.65 3.86 -1.67 -1.44 115.15 116.80 1a9c h HIS 64 Ca 0.41 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.69 1a9c h HIS 64 Cb 0.28 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 1a9c h HIS 64 CO -0.03 0.24 0.36 0.00 0.86 0.00 0.00 177.93 179.35 1a9c h ARG 65 N -0.27 0.63 -0.25 2.45 3.08 -0.47 -0.94 114.38 118.61 1a9c h ARG 65 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1a9c h ARG 65 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1a9c h ARG 65 CO 0.00 0.41 0.06 0.82 -1.07 0.00 0.00 179.97 180.20 1a9c h ILE 66 N 0.64 1.21 -0.34 2.04 2.04 -0.58 0.01 117.51 122.54 1a9c h ILE 66 Ca 0.31 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1a9c h ILE 66 Cb 0.25 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1a9c h ILE 66 CO -0.21 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.22 1a9c h ALA 67 N 0.88 0.35 -0.33 1.87 0.00 -0.69 0.02 119.26 121.37 1a9c h ALA 67 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a9c h ALA 67 Cb 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1a9c h ALA 67 CO 0.00 -0.34 0.15 -0.22 0.00 0.00 0.00 179.25 178.84 1a9c h LYS 68 N 0.18 0.48 -0.19 0.00 3.64 -1.08 -1.93 116.57 117.67 1a9c h LYS 68 Ca 0.16 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1a9c h LYS 68 Cb 0.18 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1a9c h LYS 68 CO -0.21 0.45 -0.03 1.98 -2.27 0.00 0.00 179.45 179.37 1a9c h MET 69 N 0.39 0.02 0.59 1.90 4.05 -0.41 0.26 114.93 121.72 1a9c h MET 69 Ca 0.11 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1a9c h MET 69 Cb 0.14 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1a9c h MET 69 CO -0.01 0.01 -0.29 1.88 0.23 0.00 0.00 176.91 178.73 1a9c h TYR 70 N 0.02 -0.75 0.02 1.39 -1.99 -0.88 0.28 116.97 115.05 1a9c h TYR 70 Ca 0.09 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1a9c h TYR 70 Cb 0.13 0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1a9c h TYR 70 CO -0.20 -0.46 -0.01 0.28 -0.00 0.00 0.00 178.16 177.77 1a9c h VAL 71 N -0.80 1.27 0.16 -2.88 2.07 -1.26 -2.00 116.25 112.82 1a9c h VAL 71 Ca -0.08 -0.90 -0.36 0.00 0.82 0.00 0.00 66.70 66.19 1a9c h VAL 71 Cb 0.62 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1a9c h VAL 71 CO 0.13 0.23 -1.85 0.44 0.02 0.00 0.00 177.57 176.54 1a9c h ASP 72 N -0.41 0.52 0.00 0.57 3.32 -0.59 -3.36 116.42 116.47 1a9c h ASP 72 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1a9c h ASP 72 Cb 0.39 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1a9c h ASP 72 CO 0.00 1.79 0.00 -0.62 -1.72 0.00 0.00 179.24 178.70 1a9c n GLU 73 N -3.53 0.00 0.25 3.56 1.02 -0.08 -4.46 120.64 117.39 1a9c n GLU 73 Ca -0.27 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.01 1a9c n GLU 73 Cb 1.06 0.00 0.62 0.00 -0.02 0.00 0.00 31.44 33.10 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 0.07 -0.01 -3.67 3.07 -1.28 -1.21 117.51 114.49 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 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 37.04 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 -3.00 0.02 0.30 0.16 3.72 -0.75 -2.86 117.46 115.06 1a9c n PHE 75 Ca 0.02 -0.96 0.19 0.00 -0.05 0.00 0.00 57.45 56.65 1a9c n PHE 75 Cb 0.63 -0.15 0.90 0.00 -0.94 0.00 0.00 39.48 39.92 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 0.04 0.00 0.46 4.37 4.64 -1.18 -2.25 113.55 119.64 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 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1a9c h SER 76 CO 0.01 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.20 1a9c h GLY 77 N 0.89 0.00 2.00 -0.77 0.00 -0.75 -2.33 103.07 102.11 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 1.04 0.00 0.00 0.00 176.54 177.58 1a9c n LEU 78 N -2.56 0.67 -4.32 3.11 4.77 -0.84 -4.54 117.00 113.28 1a9c n LEU 78 Ca -0.00 0.62 -0.37 0.00 -0.03 0.00 0.00 56.01 56.23 1a9c n LEU 78 Cb 0.16 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 1a9c n LEU 78 CO 0.18 -0.39 -0.28 -0.62 -1.33 0.00 0.00 177.39 174.96 1a9c s ASP 79 N -4.25 5.13 0.00 -1.43 -1.08 -0.88 -4.95 116.67 109.20 1a9c s ASP 79 Ca 0.07 -0.83 0.09 0.00 -0.52 0.00 0.00 52.55 51.36 1a9c s ASP 79 Cb 0.11 -1.86 0.47 0.00 -1.46 0.00 0.00 42.92 40.18 1a9c s ASP 79 CO 0.47 -0.22 1.18 -1.22 0.52 0.00 0.00 175.17 175.89 1a9c n TYR 80 N 4.84 0.00 0.44 -5.34 4.01 -1.26 -0.77 117.16 119.07 1a9c n TYR 80 Ca -0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.72 1a9c n TYR 80 Cb 0.47 -0.29 0.48 0.00 -0.31 0.00 0.00 39.34 39.70 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 2.44 1.00 -0.71 -0.72 0.00 -1.92 -2.03 119.26 117.33 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 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 -2.31 3.80 -4.77 0.00 3.02 0.05 -4.96 115.26 110.08 1a9c n ASN 82 Ca 0.03 -2.01 -0.40 0.00 -0.03 0.00 0.00 54.58 52.17 1a9c n ASN 82 Cb 0.28 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.07 2.97 0.78 3.10 5.36 -0.77 -4.97 117.98 123.39 1a9c s PHE 83 Ca 0.47 1.40 -0.12 0.00 -0.96 0.00 0.00 56.93 57.73 1a9c s PHE 83 Cb 0.25 -3.69 0.06 0.00 -0.34 0.00 0.00 43.02 39.30 1a9c s PHE 83 CO 0.32 -1.96 1.12 -1.25 -1.46 0.00 0.00 175.22 171.99 1a9c s PRO 84 N -1.93 2.06 -0.13 10.12 0.04 -1.26 -4.97 135.00 138.93 1a9c s PRO 84 Ca 0.51 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1a9c s PRO 84 Cb -0.40 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1a9c s PRO 84 CO 0.52 -1.82 0.98 0.15 0.04 0.00 0.00 177.00 176.88 1a9c s LYS 85 N -4.53 4.38 -0.13 4.56 1.02 -1.26 -4.92 119.74 118.86 1a9c s LYS 85 Ca 0.66 1.33 -0.07 0.00 0.02 0.00 0.00 55.97 57.90 1a9c s LYS 85 Cb -0.21 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1a9c s LYS 85 CO 0.52 -0.36 0.14 0.42 -0.92 0.00 0.00 175.35 175.14 1a9c s ILE 86 N 2.21 5.49 -0.05 2.17 1.09 -1.26 -4.95 121.20 125.89 1a9c s ILE 86 Ca 0.46 0.20 0.02 0.00 -1.10 0.00 0.00 60.65 60.23 1a9c s ILE 86 Cb -0.17 -3.40 0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1a9c s ILE 86 CO 0.15 0.60 -0.10 0.42 -0.10 0.00 0.00 174.94 175.91 1a9c s THR 87 N -0.88 0.94 0.03 2.92 -4.23 -1.26 -5.10 115.64 108.05 1a9c s THR 87 Ca 0.14 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1a9c s THR 87 Cb -0.12 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 1a9c s THR 87 CO 0.03 0.31 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.45 1a9c s LEU 88 N 0.67 2.13 0.02 4.79 1.43 -1.26 -1.99 118.68 124.47 1a9c s LEU 88 Ca -0.13 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1a9c s LEU 88 Cb -0.15 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1a9c s LEU 88 CO 0.02 0.19 -0.10 0.27 0.23 0.00 0.00 176.35 176.97 1a9c s ILE 89 N -0.71 3.39 0.21 -0.59 -4.36 0.18 -4.94 121.20 114.38 1a9c s ILE 89 Ca 0.08 -0.93 -0.31 0.00 -0.26 0.00 0.00 60.65 59.23 1a9c s ILE 89 Cb -0.09 -2.47 -0.11 0.00 1.25 0.00 0.00 42.46 41.04 1a9c s ILE 89 CO 0.01 0.35 1.61 -0.70 0.24 0.00 0.00 174.94 176.46 1a9c s GLU 90 N -1.49 4.17 -1.10 0.37 2.12 -1.26 -0.66 118.70 120.85 1a9c s GLU 90 Ca 0.17 2.48 -0.15 0.00 0.36 0.00 0.00 54.97 57.83 1a9c s GLU 90 Cb -0.11 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.11 1a9c s GLU 90 CO 0.08 -0.64 2.18 -1.71 -0.54 0.00 0.00 175.26 174.62 1a9c n ASN 91 N 3.50 4.21 0.14 -1.70 5.15 -0.70 -4.52 115.26 121.34 1a9c n ASN 91 Ca 0.13 -2.63 0.01 0.00 -0.60 0.00 0.00 54.58 51.49 1a9c n ASN 91 Cb 0.37 -1.31 0.13 0.00 -0.53 0.00 0.00 39.78 38.44 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 6.67 0.00 0.00 1.20 1.57 -1.89 -2.93 116.57 121.20 1a9c h LYS 92 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1a9c h LYS 92 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1a9c h LYS 92 CO 1.81 0.58 0.00 -1.33 -0.57 0.00 0.00 179.45 179.93 1a9c n MET 93 N -3.44 0.02 -3.65 3.15 2.81 -1.26 -4.86 117.12 109.89 1a9c n MET 93 Ca 0.00 0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 56.01 1a9c n MET 93 Cb 0.68 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.73 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 -1.47 -5.19 -2.45 0.03 5.02 -1.11 -4.91 118.16 108.08 1a9c n LYS 94 Ca 0.03 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 56.55 1a9c n LYS 94 Cb 0.10 -5.30 -0.03 0.00 -0.02 0.00 0.00 35.03 29.78 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 -3.61 4.24 -0.03 -0.18 1.01 -1.26 -4.88 120.40 115.68 1a9c s VAL 95 Ca 0.01 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1a9c s VAL 95 Cb -0.00 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1a9c s VAL 95 CO 0.80 -0.01 0.94 -0.90 0.00 0.00 0.00 175.10 175.92 1a9c n ASP 96 N 5.34 1.45 -4.48 3.32 5.68 -1.26 -4.49 116.55 122.11 1a9c n ASP 96 Ca 0.11 -2.10 -0.25 0.00 -0.50 0.00 0.00 54.79 52.06 1a9c n ASP 96 Cb 0.46 -0.14 -0.10 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.18 1.73 0.41 0.11 0.41 -1.26 -4.94 118.70 113.98 1a9c s GLU 97 Ca 0.09 -1.65 -0.24 0.00 -0.41 0.00 0.00 54.97 52.75 1a9c s GLU 97 Cb 0.07 -1.85 -0.08 0.00 -1.78 0.00 0.00 34.13 30.49 1a9c s GLU 97 CO 0.01 0.36 1.14 0.00 -0.49 0.00 0.00 175.26 176.27 1a9c s MET 98 N -3.30 4.01 -0.19 1.61 0.23 -1.26 -4.33 119.30 116.08 1a9c s MET 98 Ca 0.28 1.74 -0.06 0.00 -1.03 0.00 0.00 55.69 56.62 1a9c s MET 98 Cb -0.06 -2.58 -0.03 0.00 -1.53 0.00 0.00 34.83 30.63 1a9c s MET 98 CO 0.14 -0.33 0.03 0.08 -2.03 0.00 0.00 175.02 172.91 1a9c s VAL 99 N -1.50 4.30 -0.15 5.16 1.01 0.27 -4.92 120.40 124.57 1a9c s VAL 99 Ca 0.59 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1a9c s VAL 99 Cb -0.28 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1a9c s VAL 99 CO 0.35 0.44 -0.21 -0.89 0.00 0.00 0.00 175.10 174.78 1a9c s THR 100 N 0.73 2.03 -0.30 3.92 2.01 -1.26 -1.44 115.64 121.33 1a9c s THR 100 Ca 0.01 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 1a9c s THR 100 Cb -0.14 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1a9c s THR 100 CO 0.02 0.54 0.10 -0.69 -0.69 0.00 0.00 174.62 173.90 1a9c s VAL 101 N 0.93 4.08 0.22 3.82 1.01 0.81 -4.99 120.40 126.28 1a9c s VAL 101 Ca -0.04 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1a9c s VAL 101 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1a9c s VAL 101 CO -0.04 0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.12 1a9c s ARG 102 N 1.51 2.42 -1.39 2.72 1.70 -1.26 -1.19 118.95 123.45 1a9c s ARG 102 Ca 0.03 -1.21 -0.10 0.00 -0.47 0.00 0.00 55.73 53.97 1a9c s ARG 102 Cb -0.17 -2.31 0.02 0.00 -0.57 0.00 0.00 34.95 31.92 1a9c s ARG 102 CO 0.03 0.42 1.15 -0.25 -1.08 0.00 0.00 175.30 175.57 1a9c n ASP 103 N -0.51 -6.10 -4.69 -2.89 9.92 -1.11 -4.95 116.55 106.23 1a9c n ASP 103 Ca -0.08 -0.59 -0.42 0.00 -0.53 0.00 0.00 54.79 53.17 1a9c n ASP 103 Cb 0.57 -4.82 -0.03 0.00 -0.64 0.00 0.00 41.12 36.20 1a9c n ASP 103 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1a9c s ILE 104 N -3.32 3.59 0.30 0.53 1.01 0.27 -4.80 121.20 118.79 1a9c s ILE 104 Ca 0.60 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.95 1a9c s ILE 104 Cb -0.27 -3.64 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 1a9c s ILE 104 CO 0.75 -0.00 1.57 -0.89 0.00 0.00 0.00 174.94 176.37 1a9c s THR 105 N 2.41 2.12 -0.08 2.92 2.01 -1.26 -1.21 115.64 122.55 1a9c s THR 105 Ca 0.65 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.73 1a9c s THR 105 Cb -0.33 -3.06 0.04 0.00 0.01 0.00 0.00 72.50 69.16 1a9c s THR 105 CO 0.27 0.02 0.12 -0.22 -0.69 0.00 0.00 174.62 174.12 1a9c s LEU 106 N -0.62 0.03 -0.11 4.42 0.20 -0.21 -4.80 118.68 117.59 1a9c s LEU 106 Ca 0.62 0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.61 1a9c s LEU 106 Cb -0.47 0.08 0.02 0.00 -0.43 0.00 0.00 46.19 45.39 1a9c s LEU 106 CO 0.49 -0.26 -0.13 0.42 -0.29 0.00 0.00 176.35 176.58 1a9c s THR 107 N 2.24 1.35 0.26 3.68 -4.23 -1.26 -0.60 115.64 117.07 1a9c s THR 107 Ca 0.04 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1a9c s THR 107 Cb -0.12 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1a9c s THR 107 CO -0.05 0.42 0.13 -0.24 -0.54 0.00 0.00 174.62 174.34 1a9c n SER 108 N 4.47 0.51 -4.03 3.99 2.88 0.01 -4.46 113.62 116.99 1a9c n SER 108 Ca -0.17 -2.47 -0.23 0.00 -1.33 0.00 0.00 58.87 54.66 1a9c n SER 108 Cb 0.51 0.86 -0.16 0.00 -0.75 0.00 0.00 64.21 64.67 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 -2.71 1.06 0.10 2.46 2.01 -1.25 -0.58 115.64 116.74 1a9c s THR 109 Ca 0.19 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 1a9c s THR 109 Cb 0.01 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 1a9c s THR 109 CO 0.13 0.33 1.16 -0.94 -0.69 0.00 0.00 174.62 174.61 1a9c s SER 110 N 0.43 7.15 0.42 3.53 1.04 0.19 0.06 113.70 126.52 1a9c s SER 110 Ca -0.09 2.03 0.29 0.00 0.48 0.00 0.00 55.95 58.66 1a9c s SER 110 Cb -0.13 -2.59 1.17 0.00 0.10 0.00 0.00 66.02 64.58 1a9c s SER 110 CO 0.02 -0.38 1.86 1.05 0.98 0.00 0.00 173.24 176.77 1a9c h GLU 111 N 6.22 0.00 0.03 4.02 4.11 -1.19 0.38 114.58 128.16 1a9c h GLU 111 Ca -0.43 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.78 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 0.78 0.00 -0.99 0.45 0.07 0.00 0.00 179.01 179.32 1a9c h HIS 112 N 0.00 0.34 0.00 2.06 3.86 -1.91 -3.39 115.15 116.12 1a9c h HIS 112 Ca 0.00 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1a9c h HIS 112 Cb 0.47 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1a9c h HIS 112 CO 0.00 1.07 0.00 0.72 0.86 0.00 0.00 177.93 180.58 1a9c n HIS 113 N -3.60 0.00 -3.66 2.45 8.25 -1.21 -5.02 115.22 112.44 1a9c n HIS 113 Ca -0.05 -0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 57.19 1a9c n HIS 113 Cb 0.88 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.03 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 -0.01 -1.99 -4.59 4.41 3.01 0.13 -4.99 117.46 113.44 1a9c n PHE 114 Ca 0.00 0.86 -0.26 0.00 1.01 0.00 0.00 57.45 59.06 1a9c n PHE 114 Cb 0.20 -4.52 -0.14 0.00 -0.01 0.00 0.00 39.48 35.01 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 -3.59 1.81 0.26 -4.37 1.01 -1.23 -4.84 120.40 109.44 1a9c s VAL 115 Ca 0.04 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.38 1a9c s VAL 115 Cb -0.02 -1.58 -0.15 0.00 0.00 0.00 0.00 36.38 34.63 1a9c s VAL 115 CO 0.80 0.16 0.89 0.41 0.00 0.00 0.00 175.10 177.36 1a9c n THR 116 N 1.59 1.94 -3.94 3.92 -1.04 -1.26 -0.64 114.28 114.85 1a9c n THR 116 Ca -0.18 -0.48 -0.28 0.00 -2.04 0.00 0.00 64.05 61.07 1a9c n THR 116 Cb 0.53 -0.72 -0.17 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.00 1.26 -0.17 12.58 1.01 0.26 -1.30 121.20 133.84 1a9c s ILE 117 Ca 0.61 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1a9c s ILE 117 Cb -0.77 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1a9c s ILE 117 CO 0.59 0.31 -0.18 -0.62 0.00 0.00 0.00 174.94 175.04 1a9c s ASP 118 N 1.60 3.36 0.03 3.58 2.15 -0.49 -0.81 116.67 126.08 1a9c s ASP 118 Ca 0.03 -0.58 -0.01 0.00 0.43 0.00 0.00 52.55 52.43 1a9c s ASP 118 Cb -0.14 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 1a9c s ASP 118 CO -0.09 0.03 0.05 0.61 -0.17 0.00 0.00 175.17 175.61 1a9c n GLY 119 N 4.41 2.02 2.88 2.66 0.00 0.23 -0.98 105.19 116.40 1a9c n GLY 119 Ca -0.20 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.01 0.25 0.09 1.61 1.02 0.01 -1.05 119.74 119.65 1a9c s LYS 120 Ca 0.01 -0.03 0.04 0.00 0.02 0.00 0.00 55.97 56.01 1a9c s LYS 120 Cb -0.00 -0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1a9c s LYS 120 CO 0.01 -0.02 0.07 0.00 -0.92 0.00 0.00 175.35 174.49 1a9c s ALA 121 N 0.38 3.51 -0.15 5.17 0.00 -0.35 -1.96 121.76 128.37 1a9c s ALA 121 Ca -0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 1a9c s ALA 121 Cb -0.06 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.71 1a9c s ALA 121 CO -0.01 0.72 -0.08 0.99 0.00 0.00 0.00 175.76 177.38 1a9c s THR 122 N -1.41 1.21 -0.01 0.00 2.01 0.13 -0.56 115.64 117.01 1a9c s THR 122 Ca 0.29 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.83 1a9c s THR 122 Cb -0.12 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1a9c s THR 122 CO 0.21 0.29 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 1a9c s VAL 123 N 1.61 2.39 -0.05 3.82 1.01 -0.34 -1.33 120.40 127.52 1a9c s VAL 123 Ca 0.03 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1a9c s VAL 123 Cb -0.14 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1a9c s VAL 123 CO -0.09 0.52 0.24 0.00 0.00 0.00 0.00 175.10 175.78 1a9c s ALA 124 N -0.71 -0.60 0.10 5.51 0.00 -0.72 -0.13 121.76 125.21 1a9c s ALA 124 Ca 0.11 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1a9c s ALA 124 Cb -0.10 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1a9c s ALA 124 CO 0.01 -0.19 0.38 1.52 0.00 0.00 0.00 175.76 177.48 1a9c s TYR 125 N -0.72 -0.19 -0.33 0.00 1.13 -0.52 -1.14 117.35 115.58 1a9c s TYR 125 Ca -0.08 -0.06 -0.08 0.00 -1.41 0.00 0.00 57.07 55.43 1a9c s TYR 125 Cb -0.04 0.22 0.02 0.00 -1.10 0.00 0.00 41.96 41.06 1a9c s TYR 125 CO 0.02 -0.65 0.14 0.42 -2.51 0.00 0.00 175.55 172.96 1a9c s ILE 126 N -3.45 4.21 0.25 -3.49 1.01 -0.95 -0.56 121.20 118.22 1a9c s ILE 126 Ca 0.01 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 1a9c s ILE 126 Cb 0.01 -3.28 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 1a9c s ILE 126 CO -0.09 -0.08 1.37 -2.65 0.00 0.00 0.00 174.94 173.49 1a9c n PRO 127 N 4.91 2.01 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.57 1a9c n PRO 127 Ca -0.13 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1a9c n PRO 127 Cb 0.47 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 1.78 0.00 0.07 -0.52 4.81 -1.26 -4.70 118.16 118.33 1a9c n LYS 128 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.52 1a9c n LYS 128 Cb 0.32 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.30 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 -4.86 3.14 3.32 -1.90 -3.45 116.42 112.66 1a9c h ASP 129 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1a9c h ASP 129 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 1a9c h ASP 129 CO 0.00 0.74 -0.70 -0.94 -1.72 0.00 0.00 179.24 176.62 1a9c s SER 130 N -6.33 0.77 -0.20 6.45 1.04 -1.26 -1.71 113.70 112.45 1a9c s SER 130 Ca 0.00 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 1a9c s SER 130 Cb 0.09 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 1a9c s SER 130 CO 0.79 -0.42 -0.04 -0.69 0.98 0.00 0.00 173.24 173.87 1a9c s VAL 131 N -2.87 3.55 0.35 5.02 1.01 0.16 -4.77 120.40 122.87 1a9c s VAL 131 Ca 0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1a9c s VAL 131 Cb 0.00 -2.59 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 1a9c s VAL 131 CO -0.04 0.44 0.85 -0.51 0.00 0.00 0.00 175.10 175.84 1a9c s ILE 132 N 1.07 4.49 0.06 2.22 2.07 -1.26 -0.64 121.20 129.22 1a9c s ILE 132 Ca 0.01 1.31 -0.31 0.00 -1.41 0.00 0.00 60.65 60.25 1a9c s ILE 132 Cb -0.15 -3.68 -0.08 0.00 0.13 0.00 0.00 42.46 38.68 1a9c s ILE 132 CO 0.00 -0.16 1.59 -0.83 -1.91 0.00 0.00 174.94 173.64 1a9c s GLY 133 N -2.09 1.62 0.24 1.50 0.00 -0.84 -4.91 107.32 102.85 1a9c s GLY 133 Ca 0.56 1.15 -0.13 0.00 0.00 0.00 0.00 44.72 46.30 1a9c s GLY 133 CO 0.17 2.79 1.51 1.04 0.00 0.00 0.00 173.10 178.61 1a9c n LEU 134 N 5.41 -0.51 0.26 0.66 4.77 -1.26 -0.74 117.00 125.59 1a9c n LEU 134 Ca 0.15 1.69 0.09 0.00 -0.03 0.00 0.00 56.01 57.91 1a9c n LEU 134 Cb 0.41 -0.44 0.68 0.00 -2.33 0.00 0.00 43.42 41.74 1a9c n LEU 134 CO 0.62 -1.56 1.07 0.77 -1.33 0.00 0.00 177.39 176.96 1a9c h SER 135 N 0.00 0.00 -0.29 -1.43 4.64 -2.00 -2.24 113.55 112.23 1a9c h SER 135 Ca 0.39 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.76 1a9c h SER 135 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1a9c h SER 135 CO -0.98 0.01 0.20 0.11 -0.87 0.00 0.00 176.83 175.30 1a9c h LYS 136 N 0.00 0.19 -0.26 4.77 1.79 -1.30 0.12 116.57 121.88 1a9c h LYS 136 Ca -0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1a9c h LYS 136 Cb 0.02 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1a9c h LYS 136 CO 0.00 0.13 -0.00 0.82 -1.08 0.00 0.00 179.45 179.31 1a9c h ILE 137 N 0.20 1.26 -0.12 1.86 2.04 -1.49 0.43 117.51 121.68 1a9c h ILE 137 Ca 0.13 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1a9c h ILE 137 Cb 0.26 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1a9c h ILE 137 CO -0.02 0.29 0.07 0.78 0.00 0.00 0.00 178.15 179.27 1a9c h ASN 138 N 0.24 0.14 -0.66 1.72 2.35 -1.20 -1.71 115.58 116.46 1a9c h ASN 138 Ca 0.07 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1a9c h ASN 138 Cb 0.42 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1a9c h ASN 138 CO 0.01 0.15 0.41 0.03 -1.65 0.00 0.00 177.43 176.39 1a9c h ARG 139 N 0.12 0.80 -0.40 0.81 3.08 -0.63 -1.29 114.38 116.87 1a9c h ARG 139 Ca 0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1a9c h ARG 139 Cb 0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1a9c h ARG 139 CO -0.01 0.53 0.17 0.82 -1.07 0.00 0.00 179.97 180.41 1a9c h ILE 140 N 0.82 1.19 0.14 2.04 2.04 -0.67 -0.62 117.51 122.44 1a9c h ILE 140 Ca 0.26 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1a9c h ILE 140 Cb -0.00 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1a9c h ILE 140 CO -0.10 0.20 -0.22 0.58 0.00 0.00 0.00 178.15 178.61 1a9c h VAL 141 N 0.50 0.50 -0.78 1.67 2.07 -0.97 -1.90 116.25 117.34 1a9c h VAL 141 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1a9c h VAL 141 Cb 0.16 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1a9c h VAL 141 CO -0.01 0.00 0.51 -0.61 0.02 0.00 0.00 177.57 177.48 1a9c h GLN 142 N -0.43 0.85 0.52 1.57 4.15 -1.10 -0.25 115.11 120.41 1a9c h GLN 142 Ca 0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1a9c h GLN 142 Cb 0.44 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1a9c h GLN 142 CO -0.11 0.56 -0.45 0.35 -1.93 0.00 0.00 178.83 177.25 1a9c h PHE 143 N 0.87 -1.22 0.00 3.99 3.57 -0.33 -0.94 116.94 122.87 1a9c h PHE 143 Ca 0.33 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1a9c h PHE 143 Cb 0.18 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1a9c h PHE 143 CO -0.00 -0.61 -0.11 0.74 -2.23 0.00 0.00 178.31 176.10 1a9c h PHE 144 N -0.94 0.00 -0.10 0.41 0.04 -1.15 -1.80 116.94 113.41 1a9c h PHE 144 Ca -0.07 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 1a9c h PHE 144 Cb 0.80 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1a9c h PHE 144 CO -0.19 0.11 -0.41 0.00 -0.60 0.00 0.00 178.31 177.22 1a9c h ALA 145 N 1.89 1.13 0.00 2.45 0.00 -0.38 -3.31 119.26 121.04 1a9c h ALA 145 Ca -0.00 -0.41 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 1a9c h ALA 145 Cb 0.28 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.01 1a9c h ALA 145 CO 0.01 0.58 3.62 1.04 0.00 0.00 0.00 179.25 184.51 1a9c n GLN 146 N -4.03 3.39 -3.49 0.00 1.13 -0.42 -4.14 117.38 109.83 1a9c n GLN 146 Ca -0.01 -2.08 -0.12 0.00 -1.94 0.00 0.00 57.00 52.85 1a9c n GLN 146 Cb 0.47 -2.75 -0.03 0.00 0.11 0.00 0.00 30.24 28.05 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 2.43 1.21 -0.36 -1.09 0.52 -1.13 -0.21 118.95 120.31 1a9c s ARG 147 Ca 0.64 -0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 55.06 1a9c s ARG 147 Cb 0.16 0.55 -0.00 0.00 0.52 0.00 0.00 34.95 36.18 1a9c s ARG 147 CO -0.06 -0.51 1.49 -2.14 0.02 0.00 0.00 175.30 174.11 1a9c s PRO 148 N -3.63 3.61 0.51 3.54 0.02 -1.26 -3.78 135.00 134.02 1a9c s PRO 148 Ca 0.01 1.17 0.05 0.00 0.02 0.00 0.00 61.00 62.24 1a9c s PRO 148 Cb -0.00 -4.04 0.01 0.00 0.02 0.00 0.00 34.50 30.49 1a9c s PRO 148 CO -0.12 -1.52 0.28 -0.65 -0.33 0.00 0.00 177.00 174.66 1a9c s GLN 149 N 4.92 2.25 -0.06 5.54 -1.52 0.11 -4.54 119.66 126.35 1a9c s GLN 149 Ca 0.65 -2.07 -0.02 0.00 -1.95 0.00 0.00 55.36 51.97 1a9c s GLN 149 Cb -0.17 -1.96 0.03 0.00 -0.22 0.00 0.00 33.01 30.70 1a9c s GLN 149 CO 0.31 -0.47 0.05 0.08 -0.25 0.00 0.00 175.29 175.01 1a9c s VAL 150 N -2.76 -0.00 0.28 1.09 1.01 -1.26 -0.78 120.40 117.98 1a9c s VAL 150 Ca 0.29 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1a9c s VAL 150 Cb -0.00 -0.29 0.30 0.00 0.00 0.00 0.00 36.38 36.39 1a9c s VAL 150 CO 0.17 0.13 1.65 -0.61 0.00 0.00 0.00 175.10 176.44 1a9c h GLN 151 N 8.41 0.20 -0.69 2.72 4.15 -1.99 0.72 115.11 128.64 1a9c h GLN 151 Ca -0.14 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.35 1a9c h GLN 151 Cb 1.12 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 1a9c h GLN 151 CO 0.19 0.13 0.45 0.93 -1.93 0.00 0.00 178.83 178.61 1a9c h GLU 152 N 0.21 0.61 0.18 1.69 3.07 -1.99 -1.44 114.58 116.90 1a9c h GLU 152 Ca 0.53 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 59.10 1a9c h GLU 152 Cb 1.05 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.85 1a9c h GLU 152 CO -0.65 0.40 -1.13 -0.09 -1.40 0.00 0.00 179.01 176.15 1a9c h ARG 153 N 0.63 0.37 -0.50 2.33 2.43 -1.34 -3.26 114.38 115.04 1a9c h ARG 153 Ca 0.31 -0.64 0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1a9c h ARG 153 Cb 0.39 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.10 1a9c h ARG 153 CO -0.10 1.31 0.03 1.25 -1.51 0.00 0.00 179.97 180.94 1a9c h LEU 154 N -0.18 -0.16 -0.44 3.80 5.85 -0.52 0.24 115.31 123.89 1a9c h LEU 154 Ca -0.21 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1a9c h LEU 154 Cb 1.84 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 1a9c h LEU 154 CO 0.18 -0.05 0.19 0.74 -0.34 0.00 0.00 178.44 179.16 1a9c h THR 155 N 0.14 0.91 -0.29 1.05 2.02 -1.40 -1.64 112.91 113.71 1a9c h THR 155 Ca 0.25 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1a9c h THR 155 Cb 0.38 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1a9c h THR 155 CO -0.40 0.07 0.15 1.56 0.37 0.00 0.00 175.52 177.28 1a9c h GLN 156 N 0.38 0.41 -0.07 6.66 1.08 -1.34 -2.00 115.11 120.23 1a9c h GLN 156 Ca 0.20 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1a9c h GLN 156 Cb 0.15 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1a9c h GLN 156 CO -0.17 0.36 -0.04 1.96 -0.95 0.00 0.00 178.83 179.98 1a9c h GLN 157 N 0.35 -0.04 -0.55 1.46 4.20 -0.57 -0.83 115.11 119.12 1a9c h GLN 157 Ca 0.10 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1a9c h GLN 157 Cb 0.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 1a9c h GLN 157 CO -0.02 -0.03 0.28 0.82 -0.67 0.00 0.00 178.83 179.21 1a9c h ILE 158 N -0.04 0.94 0.02 2.54 2.04 -1.20 0.93 117.51 122.73 1a9c h ILE 158 Ca 0.04 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1a9c h ILE 158 Cb 0.11 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1a9c h ILE 158 CO -0.10 0.10 -0.19 0.25 0.00 0.00 0.00 178.15 178.21 1a9c h LEU 159 N 0.53 -0.56 -0.45 1.44 5.85 -0.89 -1.45 115.31 119.78 1a9c h LEU 159 Ca 0.25 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1a9c h LEU 159 Cb 0.17 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1a9c h LEU 159 CO -0.18 -0.26 0.19 0.40 -0.34 0.00 0.00 178.44 178.25 1a9c h ILE 160 N -0.32 1.20 -0.39 4.05 2.04 -0.65 -0.80 117.51 122.64 1a9c h ILE 160 Ca 0.05 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.37 1a9c h ILE 160 Cb 0.38 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1a9c h ILE 160 CO -0.17 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.25 1a9c h ALA 161 N 1.04 0.39 -0.16 1.87 0.00 -0.64 -1.06 119.26 120.70 1a9c h ALA 161 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1a9c h ALA 161 Cb 0.17 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1a9c h ALA 161 CO -0.01 -0.36 0.02 -0.07 0.00 0.00 0.00 179.25 178.82 1a9c h LEU 162 N 0.15 0.26 -0.82 0.00 3.38 -1.03 -1.51 115.31 115.75 1a9c h LEU 162 Ca 0.19 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1a9c h LEU 162 Cb 0.25 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1a9c h LEU 162 CO -0.28 0.47 0.46 1.56 0.09 0.00 0.00 178.44 180.74 1a9c h GLN 163 N 0.04 0.75 0.60 1.13 4.20 -0.88 0.12 115.11 121.07 1a9c h GLN 163 Ca 0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1a9c h GLN 163 Cb 0.32 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1a9c h GLN 163 CO 0.00 0.49 -0.29 1.15 -0.67 0.00 0.00 178.83 179.52 1a9c h THR 164 N 0.77 0.38 -0.76 -0.54 2.02 -1.04 -0.42 112.91 113.32 1a9c h THR 164 Ca 0.40 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1a9c h THR 164 Cb 0.38 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1a9c h THR 164 CO -0.25 0.02 0.34 -0.07 0.37 0.00 0.00 175.52 175.93 1a9c h LEU 165 N -0.90 1.02 -0.05 2.58 3.38 -0.87 -3.03 115.31 117.44 1a9c h LEU 165 Ca -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1a9c h LEU 165 Cb 0.65 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a9c h LEU 165 CO 0.13 0.89 0.00 -0.07 0.09 0.00 0.00 178.44 179.48 1a9c h LEU 166 N 1.08 0.00 0.48 1.67 3.38 -0.77 -3.48 115.31 117.67 1a9c h LEU 166 Ca 0.26 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 1a9c h LEU 166 Cb 0.16 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.95 1a9c h LEU 166 CO -0.03 0.00 -0.39 0.61 0.09 0.00 0.00 178.44 178.72 1a9c n GLY 167 N 1.19 -0.10 3.24 0.83 0.00 -0.18 -4.68 105.19 105.48 1a9c n GLY 167 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.95 0.07 -1.06 2.61 2.01 -1.10 -4.89 115.64 110.34 1a9c s THR 168 Ca 0.20 -0.57 0.23 0.00 0.31 0.00 0.00 61.69 61.86 1a9c s THR 168 Cb -0.09 -0.73 -0.09 0.00 0.01 0.00 0.00 72.50 71.60 1a9c s THR 168 CO 0.24 -0.31 1.19 0.59 -0.69 0.00 0.00 174.62 175.63 1a9c n ASN 169 N 1.01 0.78 -3.93 3.53 3.02 -1.26 -4.33 115.26 114.09 1a9c n ASN 169 Ca -0.20 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 1a9c n ASN 169 Cb 0.57 0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 40.30 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 -1.43 3.56 -4.03 6.41 3.02 -1.26 -1.18 115.26 120.34 1a9c n ASN 170 Ca 0.05 -2.79 -0.14 0.00 -0.03 0.00 0.00 54.58 51.67 1a9c n ASN 170 Cb 0.34 -1.52 -0.12 0.00 -0.61 0.00 0.00 39.78 37.87 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 4.76 0.51 -0.03 2.41 1.01 -1.24 -2.23 120.40 125.59 1a9c s VAL 171 Ca 0.54 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1a9c s VAL 171 Cb 0.11 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1a9c s VAL 171 CO 0.03 -0.23 0.08 0.00 0.00 0.00 0.00 175.10 174.97 1a9c s ALA 172 N -1.01 -0.17 -0.02 5.51 0.00 -0.30 -0.21 121.76 125.56 1a9c s ALA 172 Ca -0.06 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1a9c s ALA 172 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1a9c s ALA 172 CO 0.00 -0.05 -0.07 0.08 0.00 0.00 0.00 175.76 175.72 1a9c s VAL 173 N 0.22 0.62 -0.01 0.00 1.01 -0.45 -1.76 120.40 120.02 1a9c s VAL 173 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1a9c s VAL 173 Cb -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1a9c s VAL 173 CO -0.01 0.20 -0.03 -0.55 0.00 0.00 0.00 175.10 174.71 1a9c s SER 174 N 0.17 0.52 -0.05 3.32 0.15 -0.45 -0.73 113.70 116.64 1a9c s SER 174 Ca -0.02 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.58 1a9c s SER 174 Cb -0.07 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1a9c s SER 174 CO 0.00 0.01 -0.09 -0.63 1.20 0.00 0.00 173.24 173.74 1a9c s ILE 175 N 0.21 0.83 -0.15 6.45 1.01 -0.04 -0.70 121.20 128.83 1a9c s ILE 175 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1a9c s ILE 175 Cb -0.05 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1a9c s ILE 175 CO -0.00 0.28 -0.21 -0.62 0.00 0.00 0.00 174.94 174.39 1a9c s ASP 176 N 0.61 3.21 0.08 3.58 -1.08 -0.83 -1.09 116.67 121.15 1a9c s ASP 176 Ca -0.10 -0.59 -0.13 0.00 -0.52 0.00 0.00 52.55 51.21 1a9c s ASP 176 Cb -0.13 -1.47 0.02 0.00 -1.46 0.00 0.00 42.92 39.87 1a9c s ASP 176 CO 0.02 0.07 0.30 0.00 0.52 0.00 0.00 175.17 176.08 1a9c s ALA 177 N 0.86 -0.63 -0.18 3.66 0.00 -0.03 -0.81 121.76 124.63 1a9c s ALA 177 Ca -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1a9c s ALA 177 Cb -0.15 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1a9c s ALA 177 CO -0.03 -0.51 -0.06 0.08 0.00 0.00 0.00 175.76 175.24 1a9c s VAL 178 N -3.32 3.48 -0.31 0.00 1.01 -0.15 -0.75 120.40 120.36 1a9c s VAL 178 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1a9c s VAL 178 Cb 0.02 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1a9c s VAL 178 CO -0.08 0.47 0.26 -1.00 0.00 0.00 0.00 175.10 174.74 1a9c s HIS 179 N 0.84 3.22 -0.78 5.22 3.76 -1.26 -1.39 115.29 124.90 1a9c s HIS 179 Ca -0.02 -0.00 0.18 0.00 -0.15 0.00 0.00 55.06 55.07 1a9c s HIS 179 Cb -0.15 -2.48 0.77 0.00 1.11 0.00 0.00 32.58 31.83 1a9c s HIS 179 CO 0.01 -0.29 1.56 0.66 -0.85 0.00 0.00 174.74 175.84 1a9c n TYR 180 N 5.16 0.34 1.60 1.40 4.02 -0.42 -1.41 117.16 127.85 1a9c n TYR 180 Ca -0.12 0.14 0.04 0.00 -0.01 0.00 0.00 57.90 57.94 1a9c n TYR 180 Cb 0.51 -0.72 0.13 0.00 -0.02 0.00 0.00 39.34 39.24 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 -0.15 0.00 -0.09 0.00 0.31 -0.50 -4.70 118.33 113.20 1a9c n VAL 182 Ca 0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 1a9c n VAL 182 Cb 0.12 -0.51 -0.12 0.00 -0.91 0.00 0.00 33.84 32.42 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 -1.19 0.49 116.57 125.06 1a9c h LYS 183 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a9c h LYS 183 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1a9c h LYS 183 CO 0.00 0.97 0.00 0.00 -2.27 0.00 0.00 179.45 178.15 1a9c n ALA 184 N -3.03 2.28 -3.84 5.00 0.00 0.50 -4.17 120.51 117.24 1a9c n ALA 184 Ca -0.21 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1a9c n ALA 184 Cb 0.57 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.58 1a9c n ALA 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1a9c s ARG 185 N -3.06 1.88 6.98 0.00 3.03 -1.24 -4.95 118.95 121.60 1a9c s ARG 185 Ca 0.12 -1.22 0.00 0.00 2.03 0.00 0.00 55.73 56.66 1a9c s ARG 185 Cb 0.15 0.52 0.00 0.00 -1.03 0.00 0.00 34.95 34.59 1a9c s ARG 185 CO 0.56 -0.88 0.00 0.41 -1.13 0.00 0.00 175.30 174.25 1a9c n GLY 186 N -0.61 2.31 0.07 3.88 0.00 -1.26 -1.70 105.19 107.88 1a9c n GLY 186 Ca -0.06 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.41 -3.87 -0.61 3.06 -1.26 -4.94 119.36 112.15 1a9c n ILE 187 Ca 0.00 -0.14 -0.33 0.00 -2.50 0.00 0.00 62.75 59.79 1a9c n ILE 187 Cb 0.00 -0.60 0.01 0.00 0.54 0.00 0.00 39.64 39.59 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 -1.96 -1.60 -2.96 9.51 1.74 -0.61 -4.90 116.66 115.88 1a9c n ARG 188 Ca 0.06 0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 57.05 1a9c n ARG 188 Cb 0.38 -3.89 -0.05 0.00 -1.02 0.00 0.00 32.46 27.88 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 -3.78 6.27 0.12 0.55 -1.08 0.06 -4.90 116.67 113.92 1a9c s ASP 189 Ca 0.32 -0.68 0.21 0.00 -0.52 0.00 0.00 52.55 51.89 1a9c s ASP 189 Cb -0.13 -2.38 0.86 0.00 -1.46 0.00 0.00 42.92 39.80 1a9c s ASP 189 CO 0.90 -1.14 1.65 0.00 0.52 0.00 0.00 175.17 177.10 1a9c n ALA 190 N 7.01 1.82 -0.02 3.66 0.00 -1.26 -4.10 120.51 127.62 1a9c n ALA 190 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1a9c n ALA 190 Cb 0.46 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.87 0.19 -1.98 0.00 -2.24 -1.26 -5.06 114.28 102.07 1a9c n THR 191 Ca 0.04 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1a9c n THR 191 Cb 0.25 -0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 -3.31 5.33 0.00 3.42 1.04 -1.26 -5.06 113.70 113.87 1a9c s SER 192 Ca -0.03 2.13 -0.08 0.00 0.48 0.00 0.00 55.95 58.45 1a9c s SER 192 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1a9c s SER 192 CO 0.33 -1.48 0.15 0.00 0.98 0.00 0.00 173.24 173.22 1a9c s ALA 193 N -2.01 -0.36 -0.07 5.32 0.00 -1.26 -4.78 121.76 118.61 1a9c s ALA 193 Ca 0.71 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1a9c s ALA 193 Cb -0.23 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1a9c s ALA 193 CO 0.35 -0.21 -0.08 0.99 0.00 0.00 0.00 175.76 176.81 1a9c s THR 194 N -1.36 3.62 -0.09 0.00 2.01 0.07 -4.94 115.64 114.95 1a9c s THR 194 Ca -0.14 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1a9c s THR 194 Cb -0.07 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1a9c s THR 194 CO 0.02 0.60 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.48 1a9c s THR 195 N -0.77 1.59 0.02 -0.82 2.01 -1.26 -0.85 115.64 115.55 1a9c s THR 195 Ca 0.12 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1a9c s THR 195 Cb -0.11 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1a9c s THR 195 CO 0.01 0.46 -0.13 0.42 -0.69 0.00 0.00 174.62 174.69 1a9c s THR 196 N 0.63 1.05 0.01 -0.82 -4.23 -0.25 -4.99 115.64 107.04 1a9c s THR 196 Ca -0.14 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1a9c s THR 196 Cb -0.16 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 1a9c s THR 196 CO 0.04 0.10 -0.04 0.42 -0.54 0.00 0.00 174.62 174.61 1a9c s THR 197 N -0.64 0.24 -0.09 3.99 -4.23 -1.26 -0.86 115.64 112.78 1a9c s THR 197 Ca 0.03 -0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1a9c s THR 197 Cb -0.07 -0.29 0.02 0.00 1.34 0.00 0.00 72.50 73.51 1a9c s THR 197 CO 0.01 -0.21 -0.06 -0.94 -0.54 0.00 0.00 174.62 172.88 1a9c s SER 198 N -0.80 1.88 -0.04 3.99 1.04 0.09 -5.00 113.70 114.87 1a9c s SER 198 Ca -0.06 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1a9c s SER 198 Cb -0.06 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 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 1.61 2.99 0.18 2.42 1.43 -1.26 -1.34 118.68 124.71 1a9c s LEU 199 Ca 0.02 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1a9c s LEU 199 Cb -0.13 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1a9c s LEU 199 CO -0.06 0.33 -0.14 -0.83 0.23 0.00 0.00 176.35 175.88 1a9c s GLY 200 N -0.97 1.33 0.00 -3.19 0.00 0.71 -4.71 107.32 100.49 1a9c s GLY 200 Ca 0.13 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1a9c s GLY 200 CO 0.03 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1a9c n GLY 201 N -0.17 2.22 0.41 0.20 0.00 -0.32 -1.74 105.19 105.78 1a9c n GLY 201 Ca -0.10 -0.28 0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 0.99 3.38 -1.94 0.18 115.31 117.21 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 -3.88 0.60 -0.05 1.13 3.72 -0.71 -1.02 117.46 117.24 1a9c n PHE 203 Ca 0.10 0.26 -0.09 0.00 -0.05 0.00 0.00 57.45 57.67 1a9c n PHE 203 Cb 0.72 -0.91 -0.05 0.00 -0.94 0.00 0.00 39.48 38.30 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 -2.06 0.25 0.30 -1.08 4.81 0.54 -4.06 118.16 116.86 1a9c n LYS 204 Ca 0.01 0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1a9c n LYS 204 Cb 0.15 -1.11 -0.06 0.00 0.02 0.00 0.00 35.03 34.03 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 -0.12 -0.69 -3.28 3.14 0.02 -1.25 -3.43 113.55 107.94 1a9c h SER 205 Ca -0.25 0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.15 1a9c h SER 205 Cb 1.32 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.97 1a9c h SER 205 CO -0.08 -0.29 0.80 -0.55 -1.14 0.00 0.00 176.83 175.58 1a9c s SER 206 N -4.62 6.94 0.46 3.07 0.15 -0.18 -4.89 113.70 114.62 1a9c s SER 206 Ca -0.12 1.08 0.24 0.00 0.70 0.00 0.00 55.95 57.85 1a9c s SER 206 Cb 0.01 -2.53 1.09 0.00 -1.71 0.00 0.00 66.02 62.88 1a9c s SER 206 CO 0.36 -0.82 1.91 -0.61 1.20 0.00 0.00 173.24 175.28 1a9c h GLN 207 N 7.98 0.00 0.59 5.44 4.15 -1.83 0.57 115.11 132.00 1a9c h GLN 207 Ca -0.20 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 1a9c h GLN 207 Cb 1.06 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.76 1a9c h GLN 207 CO 1.01 0.22 -0.28 -0.97 -1.93 0.00 0.00 178.83 176.88 1a9c h ASN 208 N 0.00 -0.67 0.03 -0.69 -1.24 -1.91 -1.72 115.58 109.39 1a9c h ASN 208 Ca -0.00 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1a9c h ASN 208 Cb 0.59 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.81 1a9c h ASN 208 CO 0.03 -0.35 -0.02 0.74 -1.29 0.00 0.00 177.43 176.54 1a9c h THR 209 N -0.99 1.02 -0.55 -3.57 2.02 -1.76 -2.50 112.91 106.58 1a9c h THR 209 Ca -0.08 -0.17 0.10 0.00 0.77 0.00 0.00 66.41 67.03 1a9c h THR 209 Cb 0.66 1.13 -0.11 0.00 -1.74 0.00 0.00 68.15 68.10 1a9c h THR 209 CO 0.13 0.04 -0.27 -0.09 0.37 0.00 0.00 175.52 175.71 1a9c h ARG 210 N -0.12 -0.13 0.00 6.66 2.43 -0.89 -0.74 114.38 121.59 1a9c h ARG 210 Ca -0.00 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1a9c h ARG 210 Cb 0.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1a9c h ARG 210 CO 0.01 -0.09 -0.39 0.45 -1.51 0.00 0.00 179.97 178.44 1a9c h HIS 211 N -0.13 0.00 -0.66 2.20 3.86 -1.25 -1.36 115.15 117.79 1a9c h HIS 211 Ca 0.24 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 1a9c h HIS 211 Cb 0.52 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 1a9c h HIS 211 CO -0.56 0.39 0.09 0.93 0.86 0.00 0.00 177.93 179.64 1a9c h GLU 212 N 0.00 1.11 0.22 2.45 5.08 -0.69 0.22 114.58 122.97 1a9c h GLU 212 Ca -0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1a9c h GLU 212 Cb 0.84 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1a9c h GLU 212 CO 0.05 1.03 -0.11 0.35 -1.00 0.00 0.00 179.01 179.34 1a9c h PHE 213 N 1.03 -0.27 -0.91 4.33 3.57 -1.12 -2.74 116.94 120.83 1a9c h PHE 213 Ca 0.20 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.83 1a9c h PHE 213 Cb 0.47 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 1a9c h PHE 213 CO 0.03 0.11 0.52 -0.07 -2.23 0.00 0.00 178.31 176.68 1a9c h LEU 214 N -0.75 0.70 -0.79 0.59 3.38 -1.16 0.02 115.31 117.29 1a9c h LEU 214 Ca -0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1a9c h LEU 214 Cb 0.50 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1a9c h LEU 214 CO 0.05 0.33 0.51 -0.09 0.09 0.00 0.00 178.44 179.33 1a9c h ARG 215 N 0.78 0.98 0.00 1.13 2.43 -0.97 -1.80 114.38 116.93 1a9c h ARG 215 Ca 0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1a9c h ARG 215 Cb 0.60 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1a9c h ARG 215 CO -0.32 0.65 0.00 0.00 -1.51 0.00 0.00 179.97 178.79 1a9c h ALA 216 N 1.32 1.00 -2.79 2.80 0.00 -0.69 -3.45 119.26 117.45 1a9c h ALA 216 Ca 0.31 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.70 1a9c h ALA 216 Cb -0.04 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.81 1a9c h ALA 216 CO -0.09 0.00 0.54 0.08 0.00 0.00 0.00 179.25 179.78 1a9c s VAL 217 N -3.42 3.02 0.07 0.00 1.01 -0.68 -4.78 120.40 115.62 1a9c s VAL 217 Ca 0.04 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1a9c s VAL 217 Cb 0.09 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1a9c s VAL 217 CO 0.46 0.13 0.00 -1.14 0.00 0.00 0.00 175.10 174.55 1a9c n ARG 218 N 0.32 -1.49 -3.68 2.72 3.00 -1.26 -5.05 116.66 111.22 1a9c n ARG 218 Ca 0.03 1.33 -0.12 0.00 -0.00 0.00 0.00 57.85 59.09 1a9c n ARG 218 Cb 0.45 -1.15 -0.13 0.00 0.00 0.00 0.00 32.46 31.64 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 -0.43 -0.47 0.11 -0.14 3.76 -1.26 -5.13 115.29 111.73 1a9c s HIS 219 Ca 0.00 1.03 -0.31 0.00 -0.15 0.00 0.00 55.06 55.63 1a9c s HIS 219 Cb 0.00 0.05 -0.09 0.00 1.11 0.00 0.00 32.58 33.65 1a9c s HIS 219 CO 0.00 -0.35 1.58 -1.01 -0.85 0.00 0.00 174.74 174.12 1a9c s HIS 220 N 2.14 2.77 0.00 1.40 3.76 -1.26 -4.94 115.29 119.16 1a9c s HIS 220 Ca -0.02 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1a9c s HIS 220 Cb -0.11 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1a9c s HIS 220 CO -0.09 -3.49 0.00 0.09 -0.85 0.00 0.00 174.74 170.39