#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9w s LEU 2 N 0.00 4.33 0.77 7.52 1.02 -1.26 -5.09 118.68 125.96 1a9w s LEU 2 Ca 0.00 0.83 -0.11 0.00 0.02 0.00 0.00 54.13 54.86 1a9w s LEU 2 Cb 0.00 -2.63 0.06 0.00 0.02 0.00 0.00 46.19 43.63 1a9w s LEU 2 CO 0.00 0.10 1.14 -0.94 0.02 0.00 0.00 176.35 176.67 1a9w s SER 3 N 0.14 4.83 0.42 2.29 1.04 -1.26 -4.90 113.70 116.27 1a9w s SER 3 Ca 0.24 0.86 0.11 0.00 0.48 0.00 0.00 55.95 57.64 1a9w s SER 3 Cb -0.15 -1.46 0.89 0.00 0.10 0.00 0.00 66.02 65.39 1a9w s SER 3 CO 0.10 -1.70 1.98 -0.65 0.98 0.00 0.00 173.24 173.95 1a9w h PRO 4 N -0.88 0.21 -0.68 4.02 0.11 -2.00 -2.39 132.00 130.38 1a9w h PRO 4 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1a9w h PRO 4 Cb 1.30 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1a9w h PRO 4 CO 0.65 0.29 0.12 0.00 -0.21 0.00 0.00 178.00 178.85 1a9w h ALA 5 N 1.73 0.91 -0.35 -0.75 0.00 -2.00 -2.02 119.26 116.78 1a9w h ALA 5 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1a9w h ALA 5 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1a9w h ALA 5 CO 0.01 0.67 0.17 -0.44 0.00 0.00 0.00 179.25 179.67 1a9w h ASP 6 N 1.05 0.46 -0.83 0.00 3.32 -1.80 -1.40 116.42 117.23 1a9w h ASP 6 Ca 0.21 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1a9w h ASP 6 Cb 0.44 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1a9w h ASP 6 CO 0.01 0.45 0.55 0.11 -1.72 0.00 0.00 179.24 178.64 1a9w h LYS 7 N 0.43 1.05 -0.20 3.56 1.57 -1.20 -0.26 116.57 121.53 1a9w h LYS 7 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1a9w h LYS 7 Cb 0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1a9w h LYS 7 CO -0.02 0.69 -0.09 1.15 -0.57 0.00 0.00 179.45 180.62 1a9w h THR 8 N 1.08 1.31 -0.45 -0.16 2.02 -1.00 -2.08 112.91 113.63 1a9w h THR 8 Ca 0.31 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1a9w h THR 8 Cb -0.06 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1a9w h THR 8 CO -0.08 0.35 0.26 0.78 0.37 0.00 0.00 175.52 177.20 1a9w h ASN 9 N 0.10 0.54 -0.64 4.18 2.35 -0.85 0.06 115.58 121.32 1a9w h ASN 9 Ca 0.04 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1a9w h ASN 9 Cb 0.58 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1a9w h ASN 9 CO 0.03 0.44 0.32 0.58 -1.65 0.00 0.00 177.43 177.15 1a9w h VAL 10 N 0.59 1.22 -0.26 2.81 2.07 -1.05 0.11 116.25 121.74 1a9w h VAL 10 Ca 0.16 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1a9w h VAL 10 Cb 0.01 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1a9w h VAL 10 CO -0.03 0.25 -0.16 0.11 0.02 0.00 0.00 177.57 177.76 1a9w h LYS 11 N 0.88 0.56 -0.50 1.57 1.57 -1.15 -1.49 116.57 118.02 1a9w h LYS 11 Ca 0.22 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1a9w h LYS 11 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1a9w h LYS 11 CO -0.03 0.84 0.10 0.00 -0.57 0.00 0.00 179.45 179.79 1a9w h ALA 12 N 0.71 0.66 -0.20 3.86 0.00 -0.87 -2.62 119.26 120.80 1a9w h ALA 12 Ca 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1a9w h ALA 12 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1a9w h ALA 12 CO 0.05 0.37 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 1a9w h ALA 13 N 0.98 0.28 0.00 0.00 0.00 -0.78 -3.04 119.26 116.71 1a9w h ALA 13 Ca 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a9w h ALA 13 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1a9w h ALA 13 CO 0.01 0.08 -0.11 2.35 0.00 0.00 0.00 179.25 181.58 1a9w h TRP 14 N 0.12 0.00 -0.33 0.00 2.91 -1.28 -2.32 115.95 115.05 1a9w h TRP 14 Ca 0.05 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.96 1a9w h TRP 14 Cb 0.53 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 1a9w h TRP 14 CO 0.06 0.11 -0.21 0.78 -1.03 0.00 0.00 178.44 178.15 1a9w h GLY 15 N 0.80 0.79 2.00 2.65 0.00 -1.36 -2.81 103.07 105.15 1a9w h GLY 15 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1a9w h GLY 15 CO 0.01 0.68 -0.15 0.50 0.00 0.00 0.00 176.54 177.58 1a9w h LYS 16 N 0.50 0.00 -0.04 4.80 1.57 -1.33 -2.31 116.57 119.76 1a9w h LYS 16 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1a9w h LYS 16 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1a9w h LYS 16 CO 0.06 0.15 -0.00 0.28 -0.57 0.00 0.00 179.45 179.37 1a9w h VAL 17 N 0.00 1.27 0.00 0.50 2.07 -1.32 -3.46 116.25 115.31 1a9w h VAL 17 Ca -0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1a9w h VAL 17 Cb 0.38 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1a9w h VAL 17 CO 0.02 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1a9w n GLY 18 N -0.17 3.20 0.29 2.17 0.00 -0.87 -2.71 105.19 107.10 1a9w n GLY 18 Ca -0.07 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1a9w n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9w h ALA 19 N -0.50 1.81 0.00 4.61 0.00 -1.89 -2.88 119.26 120.41 1a9w h ALA 19 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a9w h ALA 19 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1a9w h ALA 19 CO 0.00 0.18 0.00 0.72 0.00 0.00 0.00 179.25 180.15 1a9w n HIS 20 N -4.49 0.00 -0.35 0.00 8.25 -1.10 -4.07 115.22 113.45 1a9w n HIS 20 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1a9w n HIS 20 Cb 0.08 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.51 1a9w n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a9w h ALA 21 N 3.39 1.67 -0.21 -1.41 0.00 -1.67 0.21 119.26 121.25 1a9w h ALA 21 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1a9w h ALA 21 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1a9w h ALA 21 CO 0.00 -0.06 -0.58 0.78 0.00 0.00 0.00 179.25 179.39 1a9w h GLY 22 N 0.76 0.73 1.66 0.00 0.00 -1.85 -2.02 103.07 102.35 1a9w h GLY 22 Ca 0.58 -0.88 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1a9w h GLY 22 CO -0.39 0.79 -0.39 1.05 0.00 0.00 0.00 176.54 177.60 1a9w h GLU 23 N 0.50 0.38 -0.05 4.80 -0.00 -1.40 -2.53 114.58 116.28 1a9w h GLU 23 Ca 0.00 -0.18 -0.21 0.00 -0.00 0.00 0.00 59.36 58.98 1a9w h GLU 23 Cb 1.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1a9w h GLU 23 CO 0.12 0.71 -0.83 1.88 -0.00 0.00 0.00 179.01 180.89 1a9w h TYR 24 N 0.32 0.62 -0.53 2.06 0.05 -1.00 -2.79 116.97 115.70 1a9w h TYR 24 Ca 0.03 -0.30 -0.10 0.00 0.05 0.00 0.00 58.73 58.40 1a9w h TYR 24 Cb 0.83 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1a9w h TYR 24 CO 0.02 1.09 -0.08 0.78 -1.05 0.00 0.00 178.16 178.93 1a9w h GLY 25 N 1.20 1.04 0.99 3.88 0.00 -1.26 -1.39 103.07 107.53 1a9w h GLY 25 Ca -0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1a9w h GLY 25 CO 0.15 0.74 0.20 0.00 0.00 0.00 0.00 176.54 177.62 1a9w h ALA 26 N 1.03 0.74 -0.45 3.60 0.00 -1.44 -2.92 119.26 119.82 1a9w h ALA 26 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1a9w h ALA 26 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1a9w h ALA 26 CO 0.04 0.39 -0.15 1.49 0.00 0.00 0.00 179.25 181.02 1a9w h GLU 27 N 0.79 0.90 -0.95 0.00 4.81 -1.31 -2.19 114.58 116.63 1a9w h GLU 27 Ca 0.19 -0.37 0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1a9w h GLU 27 Cb 0.25 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1a9w h GLU 27 CO -0.01 1.02 0.62 0.00 -0.73 0.00 0.00 179.01 179.91 1a9w h ALA 28 N 0.86 1.44 -0.25 2.92 0.00 -1.20 -0.43 119.26 122.60 1a9w h ALA 28 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1a9w h ALA 28 Cb 0.71 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a9w h ALA 28 CO 0.05 0.43 -0.26 -0.07 0.00 0.00 0.00 179.25 179.41 1a9w h LEU 29 N 1.13 0.66 -1.18 0.00 3.38 -1.38 -1.87 115.31 116.04 1a9w h LEU 29 Ca 0.40 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1a9w h LEU 29 Cb 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1a9w h LEU 29 CO -0.15 1.00 0.56 -0.08 0.09 0.00 0.00 178.44 179.86 1a9w h GLU 30 N 0.33 1.11 -0.32 1.13 4.81 -0.81 -1.37 114.58 119.46 1a9w h GLU 30 Ca 0.04 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1a9w h GLU 30 Cb 0.82 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1a9w h GLU 30 CO 0.06 0.73 -0.47 0.00 -0.73 0.00 0.00 179.01 178.60 1a9w h ARG 31 N 1.14 0.87 -0.37 1.92 3.08 -1.04 -2.83 114.38 117.16 1a9w h ARG 31 Ca 0.31 -0.51 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1a9w h ARG 31 Cb -0.13 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1a9w h ARG 31 CO -0.07 1.15 0.11 1.98 -1.07 0.00 0.00 179.97 182.07 1a9w h MET 32 N 0.69 0.58 -0.58 0.04 4.05 -0.88 0.98 114.93 119.81 1a9w h MET 32 Ca 0.04 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1a9w h MET 32 Cb 1.07 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 1a9w h MET 32 CO 0.11 0.60 0.26 0.74 0.23 0.00 0.00 176.91 178.85 1a9w h PHE 33 N 0.45 0.82 0.02 1.39 0.04 -1.30 0.12 116.94 118.48 1a9w h PHE 33 Ca 0.12 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1a9w h PHE 33 Cb 0.27 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1a9w h PHE 33 CO 0.01 0.62 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.26 1a9w h LEU 34 N 0.82 -0.02 -0.56 1.54 3.38 -1.29 -3.16 115.31 116.02 1a9w h LEU 34 Ca 0.20 -0.69 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 1a9w h LEU 34 Cb 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1a9w h LEU 34 CO -0.02 0.71 -0.65 0.28 0.09 0.00 0.00 178.44 178.85 1a9w h SER 35 N -0.78 0.34 -2.85 -0.43 0.02 -0.78 -3.38 113.55 105.69 1a9w h SER 35 Ca -0.00 -0.21 -0.60 0.00 -0.84 0.00 0.00 61.79 60.14 1a9w h SER 35 Cb 0.71 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 62.76 1a9w h SER 35 CO 0.00 0.89 -0.81 -0.36 -1.14 0.00 0.00 176.83 175.42 1a9w s PHE 36 N -3.70 1.85 0.61 3.45 0.08 0.41 -5.00 117.98 115.69 1a9w s PHE 36 Ca -0.04 -2.51 0.32 0.00 0.12 0.00 0.00 56.93 54.82 1a9w s PHE 36 Cb 0.11 -1.58 1.86 0.00 -0.57 0.00 0.00 43.02 42.85 1a9w s PHE 36 CO 0.81 -0.75 2.19 -1.00 -0.10 0.00 0.00 175.22 176.37 1a9w h PRO 37 N 6.01 0.00 0.00 0.24 0.13 -1.72 -2.50 132.00 134.16 1a9w h PRO 37 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1a9w h PRO 37 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1a9w h PRO 37 CO 0.47 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.03 1a9w h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.91 -1.23 112.91 112.68 1a9w h THR 38 Ca 0.04 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1a9w h THR 38 Cb 0.27 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1a9w h THR 38 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 1a9w n THR 39 N -3.04 0.72 0.28 6.82 -2.24 -0.94 -2.89 114.28 112.98 1a9w n THR 39 Ca -0.01 0.07 0.17 0.00 -2.27 0.00 0.00 64.05 62.00 1a9w n THR 39 Cb 0.19 -0.93 0.73 0.00 -2.10 0.00 0.00 70.33 68.21 1a9w n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1a9w h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.42 -2.87 116.57 113.07 1a9w h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a9w h LYS 40 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1a9w h LYS 40 CO 0.00 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.17 1a9w n THR 41 N -3.17 0.61 0.81 -0.16 -2.24 -1.14 -2.20 114.28 106.79 1a9w n THR 41 Ca -0.00 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 1a9w n THR 41 Cb 0.29 -0.87 0.17 0.00 -2.10 0.00 0.00 70.33 67.81 1a9w n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a9w n TYR 42 N -1.35 0.18 -3.23 4.78 4.02 -1.08 -4.40 117.16 116.09 1a9w n TYR 42 Ca 0.07 0.05 -0.25 0.00 -0.01 0.00 0.00 57.90 57.76 1a9w n TYR 42 Cb 0.15 -0.37 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 1a9w n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1a9w n PHE 43 N -1.73 2.66 0.07 -0.72 3.01 -0.94 -4.89 117.46 114.92 1a9w n PHE 43 Ca 0.04 -3.97 -0.04 0.00 1.01 0.00 0.00 57.45 54.49 1a9w n PHE 43 Cb 0.38 -0.49 0.15 0.00 -0.01 0.00 0.00 39.48 39.52 1a9w n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1a9w h PRO 44 N 3.69 0.31 0.00 -1.08 0.11 -1.77 -2.93 132.00 130.33 1a9w h PRO 44 Ca 0.15 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1a9w h PRO 44 Cb 0.69 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1a9w h PRO 44 CO 0.73 0.74 0.00 -2.39 -0.21 0.00 0.00 178.00 176.87 1a9w n HIS 45 N -3.96 0.00 -3.74 0.65 1.44 -1.26 -4.83 115.22 103.51 1a9w n HIS 45 Ca -0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 1a9w n HIS 45 Cb 0.55 -0.12 -0.05 0.00 0.12 0.00 0.00 29.99 30.49 1a9w n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a9w s PHE 46 N -2.23 3.58 -0.61 -1.40 0.40 -1.11 -5.04 117.98 111.57 1a9w s PHE 46 Ca 0.36 0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 57.08 1a9w s PHE 46 Cb 0.19 -2.01 0.08 0.00 0.51 0.00 0.00 43.02 41.80 1a9w s PHE 46 CO 0.36 0.61 0.81 0.34 0.70 0.00 0.00 175.22 178.04 1a9w s ASP 47 N -1.69 6.19 -0.08 1.36 2.15 -1.26 -4.91 116.67 118.42 1a9w s ASP 47 Ca 0.28 -1.18 0.06 0.00 0.43 0.00 0.00 52.55 52.14 1a9w s ASP 47 Cb -0.13 -2.35 0.31 0.00 -0.30 0.00 0.00 42.92 40.44 1a9w s ASP 47 CO 0.16 -1.23 1.00 0.18 -0.17 0.00 0.00 175.17 175.11 1a9w n LEU 48 N 6.90 2.70 -4.74 -1.34 4.77 -1.26 -4.68 117.00 119.35 1a9w n LEU 48 Ca -0.07 -1.36 -0.32 0.00 -0.03 0.00 0.00 56.01 54.23 1a9w n LEU 48 Cb 0.44 -0.54 0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1a9w n LEU 48 CO 0.61 0.39 0.71 -0.94 -1.33 0.00 0.00 177.39 176.83 1a9w s SER 49 N -0.36 4.13 0.00 -1.43 1.04 -1.26 -4.89 113.70 110.93 1a9w s SER 49 Ca 0.21 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1a9w s SER 49 Cb 0.15 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1a9w s SER 49 CO 0.07 -2.29 0.00 0.00 0.98 0.00 0.00 173.24 171.99 1a9w n HIS 50 N -3.45 0.00 -1.98 5.02 1.44 -1.26 -1.60 115.22 113.39 1a9w n HIS 50 Ca 0.11 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.48 1a9w n HIS 50 Cb 0.52 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.67 1a9w n HIS 50 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a9w n GLY 51 N -0.42 5.81 3.62 -1.39 0.00 -1.26 -5.05 105.19 106.50 1a9w n GLY 51 Ca 0.00 -2.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.03 1a9w n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a9w n SER 52 N -0.61 1.66 0.11 1.61 2.88 -0.63 -4.90 113.62 113.75 1a9w n SER 52 Ca 0.50 1.16 -0.03 0.00 -1.33 0.00 0.00 58.87 59.18 1a9w n SER 52 Cb 0.50 -1.35 0.08 0.00 -0.75 0.00 0.00 64.21 62.69 1a9w n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a9w h ALA 53 N 2.06 0.76 -0.12 -1.46 0.00 -1.91 -2.71 119.26 115.88 1a9w h ALA 53 Ca -0.42 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 53.79 1a9w h ALA 53 Cb 1.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a9w h ALA 53 CO 0.60 0.91 -0.08 1.96 0.00 0.00 0.00 179.25 182.64 1a9w h GLN 54 N 0.00 0.27 -0.07 0.00 4.20 -1.91 -1.96 115.11 115.65 1a9w h GLN 54 Ca -0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1a9w h GLN 54 Cb 1.32 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1a9w h GLN 54 CO 0.09 0.63 0.04 0.28 -0.67 0.00 0.00 178.83 179.20 1a9w h VAL 55 N -0.09 1.07 -0.08 -0.54 2.07 -1.83 0.14 116.25 116.98 1a9w h VAL 55 Ca 0.03 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1a9w h VAL 55 Cb 0.56 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1a9w h VAL 55 CO 0.02 0.06 -0.10 0.11 0.02 0.00 0.00 177.57 177.68 1a9w h LYS 56 N 0.04 0.12 0.01 1.57 6.56 -1.54 -1.06 116.57 122.27 1a9w h LYS 56 Ca 0.02 -0.02 -0.24 0.00 -1.06 0.00 0.00 60.65 59.36 1a9w h LYS 56 Cb 0.06 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1a9w h LYS 56 CO -0.00 0.23 -0.98 0.78 -2.06 0.00 0.00 179.45 177.42 1a9w h GLY 57 N 0.53 0.51 2.00 3.86 0.00 -0.87 -3.17 103.07 105.93 1a9w h GLY 57 Ca 0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 47.33 46.35 1a9w h GLY 57 CO 0.01 0.81 -0.42 0.84 0.00 0.00 0.00 176.54 177.79 1a9w h HIS 58 N 0.25 0.00 -0.54 5.60 6.17 -0.27 -2.90 115.15 123.46 1a9w h HIS 58 Ca -0.09 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 60.94 1a9w h HIS 58 Cb 1.63 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.53 1a9w h HIS 58 CO 0.07 0.42 0.16 0.78 0.71 0.00 0.00 177.93 180.06 1a9w h GLY 59 N 2.26 0.88 0.97 5.26 0.00 -1.18 -1.14 103.07 110.12 1a9w h GLY 59 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1a9w h GLY 59 CO 0.05 0.46 -0.19 0.07 0.00 0.00 0.00 176.54 176.93 1a9w h LYS 60 N 0.79 0.73 -0.29 4.80 2.10 -1.52 -1.45 116.57 121.73 1a9w h LYS 60 Ca 0.18 -0.33 0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1a9w h LYS 60 Cb 0.25 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 1a9w h LYS 60 CO -0.01 0.94 0.18 0.87 -2.00 0.00 0.00 179.45 179.44 1a9w h LYS 61 N 0.51 0.37 -0.64 0.07 1.57 -1.37 -0.55 116.57 116.53 1a9w h LYS 61 Ca 0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1a9w h LYS 61 Cb 0.74 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1a9w h LYS 61 CO 0.06 0.24 0.31 0.28 -0.57 0.00 0.00 179.45 179.77 1a9w h VAL 62 N 0.38 1.22 -0.62 0.50 2.07 -1.19 -2.27 116.25 116.34 1a9w h VAL 62 Ca 0.11 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1a9w h VAL 62 Cb -0.03 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1a9w h VAL 62 CO -0.04 0.25 0.25 0.00 0.02 0.00 0.00 177.57 178.06 1a9w h ALA 63 N 1.14 0.80 -0.50 1.67 0.00 -0.88 -2.38 119.26 119.10 1a9w h ALA 63 Ca 0.22 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1a9w h ALA 63 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1a9w h ALA 63 CO -0.03 0.41 0.00 -0.44 0.00 0.00 0.00 179.25 179.20 1a9w h ASP 64 N 0.86 0.81 -0.83 0.00 3.32 -0.95 -1.05 116.42 118.58 1a9w h ASP 64 Ca 0.21 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1a9w h ASP 64 Cb 0.20 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1a9w h ASP 64 CO -0.02 0.87 0.41 0.00 -1.72 0.00 0.00 179.24 178.78 1a9w h ALA 65 N 1.22 1.14 -0.17 3.45 0.00 -1.18 -1.02 119.26 122.70 1a9w h ALA 65 Ca 0.15 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1a9w h ALA 65 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1a9w h ALA 65 CO 0.02 0.66 -0.54 -0.07 0.00 0.00 0.00 179.25 179.32 1a9w h LEU 66 N 1.19 0.54 -1.16 0.00 3.38 -1.04 -1.87 115.31 116.35 1a9w h LEU 66 Ca 0.29 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1a9w h LEU 66 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1a9w h LEU 66 CO -0.04 0.98 0.03 0.74 0.09 0.00 0.00 178.44 180.24 1a9w h THR 67 N 0.38 1.21 -0.25 0.22 2.02 -0.74 -2.02 112.91 113.73 1a9w h THR 67 Ca 0.01 -0.80 -0.14 0.00 0.77 0.00 0.00 66.41 66.25 1a9w h THR 67 Cb 1.07 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1a9w h THR 67 CO 0.10 0.28 -0.41 -1.13 0.37 0.00 0.00 175.52 174.73 1a9w h ASN 68 N 0.60 0.62 0.31 4.18 -0.73 -0.90 -2.81 115.58 116.84 1a9w h ASN 68 Ca 0.13 -0.28 -0.11 0.00 1.87 0.00 0.00 56.30 57.91 1a9w h ASN 68 Cb 0.33 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1a9w h ASN 68 CO 0.01 0.96 -0.45 0.00 -0.37 0.00 0.00 177.43 177.57 1a9w h ALA 69 N 1.07 1.11 -0.28 1.57 0.00 -0.80 -2.24 119.26 119.69 1a9w h ALA 69 Ca 0.04 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1a9w h ALA 69 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1a9w h ALA 69 CO 0.08 0.61 -0.39 0.28 0.00 0.00 0.00 179.25 179.83 1a9w h VAL 70 N 0.15 1.29 -0.44 0.00 2.07 -1.20 -1.47 116.25 116.65 1a9w h VAL 70 Ca 0.01 -1.55 -0.15 0.00 0.82 0.00 0.00 66.70 65.83 1a9w h VAL 70 Cb 0.86 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1a9w h VAL 70 CO 0.07 0.50 -0.30 0.00 0.02 0.00 0.00 177.57 177.86 1a9w h ALA 71 N 1.04 0.64 -0.98 1.67 0.00 -1.32 -3.19 119.26 117.11 1a9w h ALA 71 Ca 0.05 -0.42 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 1a9w h ALA 71 Cb 0.91 -0.15 -0.33 0.00 0.00 0.00 0.00 17.79 18.23 1a9w h ALA 71 CO 0.08 0.68 0.43 0.72 0.00 0.00 0.00 179.25 181.16 1a9w n HIS 72 N -4.08 3.10 0.17 0.00 -0.00 -0.86 -4.72 115.22 108.82 1a9w n HIS 72 Ca -0.01 -2.75 0.07 0.00 -0.00 0.00 0.00 57.72 55.03 1a9w n HIS 72 Cb 0.50 -1.08 0.35 0.00 -0.00 0.00 0.00 29.99 29.76 1a9w n HIS 72 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1a9w n VAL 73 N -0.79 1.33 0.92 1.59 3.14 -0.57 -1.04 118.33 122.92 1a9w n VAL 73 Ca 0.56 0.55 0.10 0.00 -2.96 0.00 0.00 64.34 62.59 1a9w n VAL 73 Cb 0.66 -1.52 0.02 0.00 -1.06 0.00 0.00 33.84 31.94 1a9w n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a9w n ASP 74 N -1.93 2.14 -2.68 6.55 8.00 -1.26 -4.50 116.55 122.86 1a9w n ASP 74 Ca -0.00 -1.57 -0.08 0.00 0.71 0.00 0.00 54.79 53.85 1a9w n ASP 74 Cb 0.06 0.36 0.07 0.00 -0.02 0.00 0.00 41.12 41.59 1a9w n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a9w n ASP 75 N 0.26 0.15 -0.26 -2.24 2.03 -0.21 -4.98 116.55 111.31 1a9w n ASP 75 Ca 0.10 -2.59 -0.05 0.00 0.52 0.00 0.00 54.79 52.77 1a9w n ASP 75 Cb 0.46 0.07 0.06 0.00 -0.72 0.00 0.00 41.12 40.98 1a9w n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a9w h MET 76 N 2.58 0.94 -0.82 -0.67 2.86 -1.68 -1.76 114.93 116.38 1a9w h MET 76 Ca -0.17 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1a9w h MET 76 Cb 1.23 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 1a9w h MET 76 CO 0.27 0.63 0.50 -1.35 1.06 0.00 0.00 176.91 178.02 1a9w h PRO 77 N 0.97 0.90 0.00 -0.22 0.11 -1.93 -0.52 132.00 131.31 1a9w h PRO 77 Ca 0.26 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 1a9w h PRO 77 Cb -0.11 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 30.81 1a9w h PRO 77 CO -0.06 0.60 -1.00 -0.91 -0.21 0.00 0.00 178.00 176.42 1a9w h ASN 78 N 0.93 0.73 1.23 -2.05 -0.26 -1.94 -2.83 115.58 111.38 1a9w h ASN 78 Ca 0.35 -0.59 -0.04 0.00 -0.56 0.00 0.00 56.30 55.47 1a9w h ASN 78 Cb 0.15 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1a9w h ASN 78 CO -0.17 1.39 -0.20 0.00 -1.06 0.00 0.00 177.43 177.39 1a9w h ALA 79 N 0.56 0.95 -0.23 -0.83 0.00 -1.11 -3.25 119.26 115.35 1a9w h ALA 79 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a9w h ALA 79 Cb 1.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1a9w h ALA 79 CO 0.19 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1a9w n LEU 80 N -3.26 2.86 -0.01 0.00 4.77 -0.22 -4.72 117.00 116.42 1a9w n LEU 80 Ca 0.01 -2.25 0.22 0.00 -0.03 0.00 0.00 56.01 53.96 1a9w n LEU 80 Cb 0.48 -0.25 0.72 0.00 -2.33 0.00 0.00 43.42 42.04 1a9w n LEU 80 CO 0.34 0.67 1.20 0.77 -1.33 0.00 0.00 177.39 179.04 1a9w h SER 81 N 1.40 0.00 -0.07 -1.43 4.64 -1.53 -0.75 113.55 115.81 1a9w h SER 81 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1a9w h SER 81 Cb 0.83 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1a9w h SER 81 CO 0.04 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 175.55 1a9w h ALA 82 N 1.62 0.15 0.00 5.18 0.00 -1.87 -2.87 119.26 121.48 1a9w h ALA 82 Ca 0.27 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1a9w h ALA 82 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1a9w h ALA 82 CO -0.00 0.31 -0.50 -0.07 0.00 0.00 0.00 179.25 178.98 1a9w h LEU 83 N -0.03 0.00 -0.73 0.00 3.38 -1.67 -2.69 115.31 113.57 1a9w h LEU 83 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1a9w h LEU 83 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1a9w h LEU 83 CO 0.09 0.50 -0.13 -1.28 0.09 0.00 0.00 178.44 177.71 1a9w h SER 84 N 0.00 0.83 -0.15 -0.43 0.87 -1.21 -1.66 113.55 111.80 1a9w h SER 84 Ca -0.01 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1a9w h SER 84 Cb 0.95 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1a9w h SER 84 CO 0.07 0.97 0.04 -0.78 -0.53 0.00 0.00 176.83 176.59 1a9w h ASP 85 N 0.74 0.23 0.92 6.23 3.58 -1.27 -1.59 116.42 125.26 1a9w h ASP 85 Ca 0.12 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 1a9w h ASP 85 Cb 0.64 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.64 1a9w h ASP 85 CO 0.04 0.41 -0.44 0.25 -2.88 0.00 0.00 179.24 176.62 1a9w h LEU 86 N 0.05 -1.04 -0.47 2.28 5.85 -1.33 -0.63 115.31 120.02 1a9w h LEU 86 Ca 0.05 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1a9w h LEU 86 Cb 0.26 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1a9w h LEU 86 CO 0.00 -0.74 -0.50 0.45 -0.34 0.00 0.00 178.44 177.31 1a9w h HIS 87 N -1.24 0.87 0.06 1.25 3.86 -1.39 0.19 115.15 118.74 1a9w h HIS 87 Ca -0.13 -0.29 -0.29 0.00 -1.16 0.00 0.00 60.37 58.50 1a9w h HIS 87 Cb 0.95 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 1a9w h HIS 87 CO -0.01 1.06 -1.59 0.00 0.86 0.00 0.00 177.93 178.25 1a9w n ALA 88 N -2.53 0.82 -0.04 2.45 0.00 -0.60 -1.59 120.51 119.02 1a9w n ALA 88 Ca -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.88 1a9w n ALA 88 Cb 0.59 -0.62 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 1a9w n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a9w h HIS 89 N -0.53 0.00 0.36 0.00 -0.00 -1.18 -3.32 115.15 110.48 1a9w h HIS 89 Ca -0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.97 1a9w h HIS 89 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 1a9w h HIS 89 CO 0.09 0.00 -0.17 0.87 -0.00 0.00 0.00 177.93 178.71 1a9w h LYS 90 N -0.70 -0.47 -0.03 5.26 1.57 -1.13 -3.37 116.57 117.71 1a9w h LYS 90 Ca 0.00 0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1a9w h LYS 90 Cb 0.04 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1a9w h LYS 90 CO 0.00 -0.31 -0.70 -0.07 -0.57 0.00 0.00 179.45 177.80 1a9w h LEU 91 N -1.13 0.17 -2.54 2.94 3.38 -0.82 -3.49 115.31 113.83 1a9w h LEU 91 Ca -0.05 -0.11 -0.31 0.00 0.09 0.00 0.00 57.88 57.50 1a9w h LEU 91 Cb 0.38 -0.05 0.16 0.00 0.09 0.00 0.00 40.66 41.24 1a9w h LEU 91 CO 0.08 0.82 -0.87 0.54 0.09 0.00 0.00 178.44 179.10 1a9w n ARG 92 N -3.76 -2.46 -2.59 1.13 1.74 -0.83 -4.96 116.66 104.93 1a9w n ARG 92 Ca -0.02 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 1a9w n ARG 92 Cb 0.69 -5.39 -0.03 0.00 -1.02 0.00 0.00 32.46 26.70 1a9w n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a9w s VAL 93 N -3.42 4.53 0.12 1.55 1.01 -0.62 -5.00 120.40 118.57 1a9w s VAL 93 Ca 0.41 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.89 1a9w s VAL 93 Cb -0.08 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1a9w s VAL 93 CO 0.77 0.14 1.54 -0.62 0.00 0.00 0.00 175.10 176.93 1a9w s ASP 94 N 1.03 6.66 0.54 3.32 -1.08 -1.26 -4.90 116.67 120.99 1a9w s ASP 94 Ca 0.55 2.48 0.27 0.00 -0.52 0.00 0.00 52.55 55.33 1a9w s ASP 94 Cb -0.24 -2.58 1.44 0.00 -1.46 0.00 0.00 42.92 40.08 1a9w s ASP 94 CO 0.28 -0.79 1.97 -0.65 0.52 0.00 0.00 175.17 176.50 1a9w h PRO 95 N 7.26 0.00 -0.06 4.34 0.11 -1.97 -1.84 132.00 139.84 1a9w h PRO 95 Ca -0.42 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1a9w h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1a9w h PRO 95 CO 0.91 0.00 0.05 -0.39 -0.21 0.00 0.00 178.00 178.35 1a9w h VAL 96 N 0.00 0.82 -0.11 3.15 -1.51 -2.02 -1.33 116.25 115.25 1a9w h VAL 96 Ca 0.27 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.66 1a9w h VAL 96 Cb 1.14 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1a9w h VAL 96 CO -0.00 0.00 -0.27 0.78 -1.23 0.00 0.00 177.57 176.85 1a9w h ASN 97 N 0.00 0.19 0.06 4.19 2.35 -1.72 -2.44 115.58 118.21 1a9w h ASN 97 Ca 0.03 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1a9w h ASN 97 Cb 0.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1a9w h ASN 97 CO -0.00 0.47 -0.24 -0.26 -1.65 0.00 0.00 177.43 175.75 1a9w h PHE 98 N 0.18 0.35 -0.26 1.19 -1.00 -1.40 -1.09 116.94 114.90 1a9w h PHE 98 Ca 0.03 -0.06 -0.12 0.00 2.81 0.00 0.00 57.97 60.62 1a9w h PHE 98 Cb 0.58 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1a9w h PHE 98 CO 0.01 0.54 -0.34 0.87 -1.61 0.00 0.00 178.31 177.77 1a9w h LYS 99 N 0.28 0.58 -0.29 1.51 1.57 -1.46 -0.64 116.57 118.13 1a9w h LYS 99 Ca 0.05 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 1a9w h LYS 99 Cb 0.59 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1a9w h LYS 99 CO 0.04 0.84 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.43 1a9w h LEU 100 N 0.49 0.74 -0.43 2.94 3.38 -1.23 -2.01 115.31 119.19 1a9w h LEU 100 Ca 0.05 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 1a9w h LEU 100 Cb 0.83 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1a9w h LEU 100 CO 0.07 1.05 -0.17 0.25 0.09 0.00 0.00 178.44 179.73 1a9w h LEU 101 N 0.44 0.89 -1.04 1.67 5.85 -1.09 -2.44 115.31 119.58 1a9w h LEU 101 Ca 0.05 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1a9w h LEU 101 Cb 0.83 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1a9w h LEU 101 CO 0.07 1.08 0.64 0.28 -0.34 0.00 0.00 178.44 180.17 1a9w h SER 102 N 0.69 1.09 0.01 1.25 0.02 -1.08 -0.87 113.55 114.66 1a9w h SER 102 Ca 0.10 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1a9w h SER 102 Cb 0.72 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1a9w h SER 102 CO 0.06 0.76 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.76 1a9w h HIS 103 N 1.27 -0.01 0.00 3.45 -0.00 -1.24 -1.92 115.15 116.70 1a9w h HIS 103 Ca 0.38 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.72 1a9w h HIS 103 Cb -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1a9w h HIS 103 CO -0.00 0.19 -0.15 0.00 -0.00 0.00 0.00 177.93 177.97 1a9w h LEU 105 N 0.00 0.77 -0.44 0.00 5.85 -0.95 -2.27 115.31 118.27 1a9w h LEU 105 Ca -0.00 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 1a9w h LEU 105 Cb 0.35 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1a9w h LEU 105 CO 0.02 1.27 0.13 -0.07 -0.34 0.00 0.00 178.44 179.45 1a9w h LEU 106 N 0.32 0.64 -0.95 2.25 3.38 -0.74 -2.20 115.31 118.00 1a9w h LEU 106 Ca -0.04 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1a9w h LEU 106 Cb 1.25 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1a9w h LEU 106 CO 0.13 0.68 0.62 0.58 0.09 0.00 0.00 178.44 180.54 1a9w h VAL 107 N 0.57 1.15 -0.46 1.22 2.07 -1.16 -1.11 116.25 118.53 1a9w h VAL 107 Ca 0.14 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1a9w h VAL 107 Cb 0.27 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1a9w h VAL 107 CO -0.00 0.22 0.13 0.74 0.02 0.00 0.00 177.57 178.67 1a9w h THR 108 N 1.19 1.23 -0.35 2.57 2.02 -1.09 -2.40 112.91 116.08 1a9w h THR 108 Ca 0.38 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 1a9w h THR 108 Cb 0.03 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1a9w h THR 108 CO -0.13 0.28 -0.05 -0.07 0.37 0.00 0.00 175.52 175.91 1a9w h LEU 109 N 0.60 0.54 -1.08 2.58 3.38 -0.88 -2.74 115.31 117.72 1a9w h LEU 109 Ca 0.15 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1a9w h LEU 109 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a9w h LEU 109 CO -0.00 0.65 -0.28 0.00 0.09 0.00 0.00 178.44 178.90 1a9w h ALA 110 N 1.41 1.22 0.00 1.53 0.00 -0.93 -0.91 119.26 121.59 1a9w h ALA 110 Ca 0.11 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1a9w h ALA 110 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1a9w h ALA 110 CO 0.02 0.51 -0.83 0.00 0.00 0.00 0.00 179.25 178.95 1a9w h ALA 111 N 1.44 0.51 0.00 0.00 0.00 -1.15 -3.04 119.26 117.01 1a9w h ALA 111 Ca 0.04 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1a9w h ALA 111 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a9w h ALA 111 CO 0.05 1.04 -1.89 0.72 0.00 0.00 0.00 179.25 179.17 1a9w n HIS 112 N -3.39 0.21 -2.82 0.00 8.25 -1.07 -4.59 115.22 111.82 1a9w n HIS 112 Ca 0.00 0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 1a9w n HIS 112 Cb 0.85 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1a9w n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a9w n LEU 113 N -2.44 1.95 -0.01 2.41 4.77 -0.35 -4.94 117.00 118.38 1a9w n LEU 113 Ca -0.09 -4.47 0.16 0.00 -0.03 0.00 0.00 56.01 51.58 1a9w n LEU 113 Cb 0.68 0.31 0.61 0.00 -2.33 0.00 0.00 43.42 42.70 1a9w n LEU 113 CO 0.44 1.94 1.18 1.55 -1.33 0.00 0.00 177.39 181.17 1a9w h PRO 114 N 2.94 0.15 -0.30 3.23 0.13 -1.71 -0.63 132.00 135.80 1a9w h PRO 114 Ca 0.03 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 1a9w h PRO 114 Cb 1.02 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1a9w h PRO 114 CO 0.57 0.10 -0.51 0.00 -0.23 0.00 0.00 178.00 177.93 1a9w h ALA 115 N 1.74 0.47 0.00 -0.56 0.00 -1.92 -3.25 119.26 115.74 1a9w h ALA 115 Ca 0.24 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1a9w h ALA 115 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1a9w h ALA 115 CO -0.03 0.66 -0.38 0.93 0.00 0.00 0.00 179.25 180.43 1a9w h GLU 116 N 0.67 0.00 -3.55 0.00 4.39 -1.71 -3.40 114.58 110.98 1a9w h GLU 116 Ca 0.02 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.02 1a9w h GLU 116 Cb 1.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1a9w h GLU 116 CO 0.12 0.28 3.33 0.34 -1.16 0.00 0.00 179.01 181.91 1a9w n PHE 117 N -3.14 3.05 -1.57 4.33 7.35 -0.34 -4.87 117.46 122.28 1a9w n PHE 117 Ca 0.02 -3.01 -0.31 0.00 -0.76 0.00 0.00 57.45 53.39 1a9w n PHE 117 Cb 0.66 -2.48 0.05 0.00 0.35 0.00 0.00 39.48 38.06 1a9w n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a9w s THR 118 N 2.51 4.03 0.38 -2.13 -4.23 -1.26 -4.79 115.64 110.14 1a9w s THR 118 Ca 0.55 0.66 0.12 0.00 -1.18 0.00 0.00 61.69 61.84 1a9w s THR 118 Cb 0.15 -3.40 0.34 0.00 1.34 0.00 0.00 72.50 70.93 1a9w s THR 118 CO -0.07 -0.86 1.86 -0.65 -0.54 0.00 0.00 174.62 174.36 1a9w h PRO 119 N -0.72 0.57 -0.59 3.99 0.11 -1.99 -0.71 132.00 132.66 1a9w h PRO 119 Ca -0.44 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1a9w h PRO 119 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1a9w h PRO 119 CO 0.57 0.38 0.13 0.00 -0.21 0.00 0.00 178.00 178.86 1a9w h ALA 120 N 1.61 0.79 -0.21 -0.75 0.00 -1.98 -1.22 119.26 117.49 1a9w h ALA 120 Ca 0.45 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1a9w h ALA 120 Cb 0.87 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1a9w h ALA 120 CO -0.20 0.51 -0.19 0.28 0.00 0.00 0.00 179.25 179.64 1a9w h VAL 121 N 0.87 1.32 -0.30 0.00 2.07 -1.63 -2.71 116.25 115.86 1a9w h VAL 121 Ca 0.18 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.43 1a9w h VAL 121 Cb 0.37 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1a9w h VAL 121 CO 0.01 0.41 -0.15 -0.74 0.02 0.00 0.00 177.57 177.12 1a9w h HIS 122 N 0.19 -0.36 -0.76 1.57 6.17 -1.04 0.08 115.15 121.00 1a9w h HIS 122 Ca 0.04 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1a9w h HIS 122 Cb 0.74 0.20 -0.05 0.00 2.52 0.00 0.00 27.41 30.82 1a9w h HIS 122 CO 0.08 -0.22 0.49 0.00 0.71 0.00 0.00 177.93 178.98 1a9w h ALA 123 N 1.14 1.00 -0.36 5.26 0.00 -1.21 -0.75 119.26 124.34 1a9w h ALA 123 Ca 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1a9w h ALA 123 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a9w h ALA 123 CO -0.37 0.29 -0.38 0.77 0.00 0.00 0.00 179.25 179.55 1a9w h SER 124 N 0.95 0.91 -0.46 0.00 0.02 -1.07 -2.73 113.55 111.17 1a9w h SER 124 Ca 0.31 -0.41 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1a9w h SER 124 Cb 0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1a9w h SER 124 CO -0.11 1.19 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.49 1a9w h LEU 125 N 0.70 0.98 -0.70 5.07 3.38 -0.73 -0.90 115.31 123.11 1a9w h LEU 125 Ca 0.06 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1a9w h LEU 125 Cb 0.96 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1a9w h LEU 125 CO 0.09 1.16 0.42 -0.78 0.09 0.00 0.00 178.44 179.42 1a9w h ASP 126 N 0.80 0.66 -0.21 -0.43 3.58 -1.10 0.19 116.42 119.90 1a9w h ASP 126 Ca 0.10 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1a9w h ASP 126 Cb 0.78 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1a9w h ASP 126 CO 0.06 0.44 -0.04 0.11 -2.88 0.00 0.00 179.24 176.94 1a9w h LYS 127 N 0.79 0.40 -0.29 0.28 1.57 -1.35 -1.81 116.57 116.17 1a9w h LYS 127 Ca 0.30 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1a9w h LYS 127 Cb 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1a9w h LYS 127 CO -0.14 0.64 0.06 0.35 -0.57 0.00 0.00 179.45 179.78 1a9w h PHE 128 N 0.14 0.10 0.00 -1.35 3.57 -0.51 -1.23 116.94 117.66 1a9w h PHE 128 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1a9w h PHE 128 Cb 0.48 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1a9w h PHE 128 CO 0.05 0.02 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.88 1a9w h LEU 129 N 0.17 0.00 -0.52 0.59 3.38 -0.60 -1.79 115.31 116.54 1a9w h LEU 129 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1a9w h LEU 129 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a9w h LEU 129 CO -0.18 0.20 -0.43 0.00 0.09 0.00 0.00 178.44 178.13 1a9w h ALA 130 N 1.80 0.70 -0.35 1.53 0.00 -0.42 -1.77 119.26 120.74 1a9w h ALA 130 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1a9w h ALA 130 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1a9w h ALA 130 CO 0.03 0.67 -0.03 0.77 0.00 0.00 0.00 179.25 180.68 1a9w h SER 131 N 0.59 0.64 -0.37 0.00 0.02 -0.47 -1.52 113.55 112.43 1a9w h SER 131 Ca 0.04 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1a9w h SER 131 Cb 0.98 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1a9w h SER 131 CO 0.09 0.82 0.24 0.58 -1.14 0.00 0.00 176.83 177.42 1a9w h VAL 132 N 0.44 1.08 -0.84 2.27 2.07 -1.30 -2.26 116.25 117.72 1a9w h VAL 132 Ca 0.09 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1a9w h VAL 132 Cb 0.51 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1a9w h VAL 132 CO 0.02 0.09 0.55 0.28 0.02 0.00 0.00 177.57 178.54 1a9w h SER 133 N 0.49 0.94 -0.82 0.57 0.02 -1.15 -1.75 113.55 111.86 1a9w h SER 133 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1a9w h SER 133 Cb -0.04 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 1a9w h SER 133 CO -0.04 0.67 0.52 0.74 -1.14 0.00 0.00 176.83 177.58 1a9w h THR 134 N 1.11 1.22 -0.43 -2.27 2.02 -0.88 -1.92 112.91 111.76 1a9w h THR 134 Ca 0.31 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1a9w h THR 134 Cb -0.09 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 1a9w h THR 134 CO -0.08 0.22 -0.09 0.58 0.37 0.00 0.00 175.52 176.52 1a9w h VAL 135 N 1.11 1.27 0.00 3.16 2.07 -0.86 -2.86 116.25 120.14 1a9w h VAL 135 Ca 0.30 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1a9w h VAL 135 Cb -0.09 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1a9w h VAL 135 CO -0.06 0.40 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 1a9w h LEU 136 N 0.65 0.00 -1.81 2.57 3.38 -1.09 -3.06 115.31 115.94 1a9w h LEU 136 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a9w h LEU 136 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a9w h LEU 136 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1a9w n THR 137 N -2.37 0.00 -4.16 0.22 -2.24 -0.74 -3.08 114.28 101.91 1a9w n THR 137 Ca 0.03 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 1a9w n THR 137 Cb 0.32 1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.91 1a9w n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a9w s SER 138 N -1.74 5.61 -0.51 3.42 0.01 -1.09 -4.87 113.70 114.53 1a9w s SER 138 Ca 0.24 0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.54 1a9w s SER 138 Cb 0.17 -1.63 0.11 0.00 0.21 0.00 0.00 66.02 64.88 1a9w s SER 138 CO 0.26 0.33 0.45 -0.54 0.41 0.00 0.00 173.24 174.15 1a9w s LYS 139 N -1.35 2.96 -0.13 12.44 1.02 -1.26 -4.85 119.74 128.56 1a9w s LYS 139 Ca 0.18 -1.56 0.15 0.00 0.02 0.00 0.00 55.97 54.76 1a9w s LYS 139 Cb -0.12 -4.21 0.32 0.00 -0.52 0.00 0.00 37.83 33.30 1a9w s LYS 139 CO 0.09 -1.20 1.16 2.48 -0.92 0.00 0.00 175.35 176.96 1a9w n TYR 140 N 5.21 0.00 -0.24 3.18 4.11 -1.26 -5.18 117.16 122.98 1a9w n TYR 140 Ca -0.13 -1.03 0.00 0.00 -0.00 0.00 0.00 57.90 56.73 1a9w n TYR 140 Cb 0.42 -0.18 0.00 0.00 -0.00 0.00 0.00 39.34 39.58 1a9w n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40