#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqw s THR 2 N 0.00 1.80 0.31 4.37 -4.23 -1.26 -4.86 115.64 111.77 1oqw s THR 2 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1oqw s THR 2 Cb 0.00 -2.75 0.08 0.00 1.34 0.00 0.00 72.50 71.17 1oqw s THR 2 CO 0.00 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.09 1oqw h LEU 3 N -2.10 0.37 -0.51 4.79 5.85 -2.06 -2.68 115.31 118.97 1oqw h LEU 3 Ca -0.45 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 57.99 1oqw h LEU 3 Cb 1.26 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1oqw h LEU 3 CO 0.36 0.63 -0.70 -0.29 -0.34 0.00 0.00 178.44 178.10 1oqw h ILE 4 N 0.33 1.42 -0.53 4.05 -0.00 -2.00 -2.93 117.51 117.85 1oqw h ILE 4 Ca 0.05 -2.19 -0.08 0.00 -0.00 0.00 0.00 64.86 62.64 1oqw h ILE 4 Cb 0.64 2.15 -0.02 0.00 -0.00 0.00 0.00 36.82 39.59 1oqw h ILE 4 CO 0.05 0.65 0.02 -0.33 -0.00 0.00 0.00 178.15 178.54 1oqw h GLU 5 N 0.17 0.88 -0.20 2.19 5.08 -1.83 -2.12 114.58 118.75 1oqw h GLU 5 Ca -0.02 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1oqw h GLU 5 Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1oqw h GLU 5 CO 0.11 0.86 -0.41 1.25 -1.00 0.00 0.00 179.01 179.83 1oqw h LEU 6 N 0.82 0.48 -0.64 1.33 7.12 -1.45 -1.61 115.31 121.36 1oqw h LEU 6 Ca 0.16 -0.21 -0.05 0.00 0.13 0.00 0.00 57.88 57.91 1oqw h LEU 6 Cb 0.46 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 1oqw h LEU 6 CO 0.02 0.84 0.19 0.24 -0.13 0.00 0.00 178.44 179.60 1oqw h MET 7 N 0.38 0.99 -0.42 1.25 2.86 -1.28 -1.35 114.93 117.36 1oqw h MET 7 Ca 0.03 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1oqw h MET 7 Cb 0.88 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1oqw h MET 7 CO 0.07 0.88 0.06 0.82 1.06 0.00 0.00 176.91 179.80 1oqw h ILE 8 N 0.92 1.25 -0.12 -1.22 2.04 -1.13 -0.86 117.51 118.37 1oqw h ILE 8 Ca 0.20 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1oqw h ILE 8 Cb 0.30 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1oqw h ILE 8 CO -0.01 0.31 0.08 0.58 0.00 0.00 0.00 178.15 179.11 1oqw h VAL 9 N 0.55 1.06 -0.93 1.67 2.07 -1.11 -1.53 116.25 118.02 1oqw h VAL 9 Ca 0.13 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1oqw h VAL 9 Cb 0.39 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1oqw h VAL 9 CO 0.01 0.05 0.61 0.58 0.02 0.00 0.00 177.57 178.85 1oqw h VAL 10 N 0.14 1.15 -0.47 2.57 2.07 -1.16 -1.88 116.25 118.67 1oqw h VAL 10 Ca 0.04 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1oqw h VAL 10 Cb 0.02 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 1oqw h VAL 10 CO -0.01 0.21 0.25 0.00 0.02 0.00 0.00 177.57 178.04 1oqw h ALA 11 N 1.46 0.60 -0.31 1.67 0.00 -0.61 -1.46 119.26 120.61 1oqw h ALA 11 Ca 0.37 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 1oqw h ALA 11 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1oqw h ALA 11 CO -0.12 0.14 -0.49 -0.84 0.00 0.00 0.00 179.25 177.94 1oqw h ILE 12 N 0.62 1.28 -0.06 0.00 -0.00 -0.90 -2.12 117.51 116.33 1oqw h ILE 12 Ca 0.16 -1.67 -0.07 0.00 -0.00 0.00 0.00 64.86 63.28 1oqw h ILE 12 Cb 0.07 1.55 -0.01 0.00 -0.00 0.00 0.00 36.82 38.44 1oqw h ILE 12 CO -0.02 0.55 -0.29 -0.29 -0.00 0.00 0.00 178.15 178.10 1oqw h ILE 13 N 0.68 1.23 -0.33 0.16 -0.00 -1.28 -0.01 117.51 117.96 1oqw h ILE 13 Ca 0.03 -1.09 -0.17 0.00 -0.00 0.00 0.00 64.86 63.63 1oqw h ILE 13 Cb 1.09 1.51 -0.00 0.00 -0.00 0.00 0.00 36.82 39.42 1oqw h ILE 13 CO 0.11 0.32 -0.45 1.23 -0.00 0.00 0.00 178.15 179.36 1oqw h GLY 14 N 0.95 0.98 0.85 8.18 0.00 -1.08 -2.04 103.07 110.90 1oqw h GLY 14 Ca 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 47.33 46.24 1oqw h GLY 14 CO 0.04 0.96 -0.01 -2.22 0.00 0.00 0.00 176.54 175.31 1oqw h ILE 15 N 0.69 1.26 -0.62 2.60 2.04 -0.85 -0.60 117.51 122.03 1oqw h ILE 15 Ca 0.04 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 64.98 1oqw h ILE 15 Cb 1.05 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 1oqw h ILE 15 CO 0.11 0.29 0.40 -0.07 0.00 0.00 0.00 178.15 178.88 1oqw h LEU 16 N 0.21 0.68 -1.07 1.44 4.07 -1.01 -1.99 115.31 117.64 1oqw h LEU 16 Ca 0.07 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 1oqw h LEU 16 Cb 0.44 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1oqw h LEU 16 CO 0.02 0.48 -0.32 0.00 -1.08 0.00 0.00 178.44 177.54 1oqw h ALA 17 N 1.25 1.22 0.00 1.53 0.00 -1.28 0.11 119.26 122.09 1oqw h ALA 17 Ca 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1oqw h ALA 17 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1oqw h ALA 17 CO -0.07 0.52 -0.10 0.00 0.00 0.00 0.00 179.25 179.59 1oqw h ALA 18 N 1.45 1.19 0.05 0.00 0.00 -0.37 -1.72 119.26 119.85 1oqw h ALA 18 Ca 0.03 -0.10 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1oqw h ALA 18 Cb 0.68 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1oqw h ALA 18 CO 0.05 0.13 -2.17 -0.89 0.00 0.00 0.00 179.25 176.37 1oqw n ILE 19 N -3.48 1.61 -0.04 0.00 5.41 -0.83 -4.55 119.36 117.48 1oqw n ILE 19 Ca -0.01 -0.52 -0.16 0.00 1.00 0.00 0.00 62.75 63.06 1oqw n ILE 19 Cb 0.25 -1.67 -0.07 0.00 -0.71 0.00 0.00 39.64 37.44 1oqw n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oqw h ALA 20 N -0.16 0.26 -0.15 -1.39 0.00 -0.73 -3.29 119.26 113.79 1oqw h ALA 20 Ca -0.51 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 53.95 1oqw h ALA 20 Cb 1.84 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 1oqw h ALA 20 CO -0.08 0.43 -0.22 0.82 0.00 0.00 0.00 179.25 180.19 1oqw h ILE 21 N 0.24 0.45 -0.54 0.00 1.08 -1.55 -0.63 117.51 116.54 1oqw h ILE 21 Ca -0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1oqw h ILE 21 Cb 1.12 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1oqw h ILE 21 CO 0.11 0.00 0.36 -0.65 -0.69 0.00 0.00 178.15 177.28 1oqw h PRO 22 N -0.27 0.59 -0.23 2.37 0.11 -1.80 -1.52 132.00 131.25 1oqw h PRO 22 Ca 0.11 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 1oqw h PRO 22 Cb 0.43 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1oqw h PRO 22 CO -0.31 0.39 -0.45 0.37 -0.21 0.00 0.00 178.00 177.79 1oqw h GLN 23 N 0.61 0.58 -0.40 1.05 5.75 -1.42 -2.38 115.11 118.90 1oqw h GLN 23 Ca 0.22 -0.32 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1oqw h GLN 23 Cb 0.12 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1oqw h GLN 23 CO -0.06 0.92 -0.02 -0.92 -2.65 0.00 0.00 178.83 176.10 1oqw h TYR 24 N 0.47 0.79 -0.68 3.99 3.20 -0.32 -2.23 116.97 122.19 1oqw h TYR 24 Ca 0.03 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 1oqw h TYR 24 Cb 0.97 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1oqw h TYR 24 CO 0.04 0.81 0.41 1.96 -1.64 0.00 0.00 178.16 179.75 1oqw h GLN 25 N 0.54 0.91 -0.46 1.82 4.20 -1.20 -0.59 115.11 120.34 1oqw h GLN 25 Ca 0.11 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1oqw h GLN 25 Cb 0.51 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1oqw h GLN 25 CO 0.03 0.64 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.64 1oqw h ASN 26 N 0.93 1.03 -0.45 1.46 -0.26 -1.26 -1.76 115.58 115.27 1oqw h ASN 26 Ca 0.25 -0.42 -0.08 0.00 -0.56 0.00 0.00 56.30 55.49 1oqw h ASN 26 Cb -0.05 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 36.91 1oqw h ASN 26 CO -0.05 1.22 -0.00 0.22 -1.06 0.00 0.00 177.43 177.76 1oqw h TYR 27 N 0.84 0.93 -0.63 1.19 5.03 -0.78 -1.08 116.97 122.47 1oqw h TYR 27 Ca 0.10 -0.14 -0.08 0.00 2.58 0.00 0.00 58.73 61.18 1oqw h TYR 27 Cb 0.86 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 1oqw h TYR 27 CO 0.06 0.85 0.06 0.28 -1.32 0.00 0.00 178.16 178.09 1oqw h VAL 28 N 0.80 1.26 -0.55 1.81 2.07 -0.98 -1.20 116.25 119.47 1oqw h VAL 28 Ca 0.15 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1oqw h VAL 28 Cb 0.48 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1oqw h VAL 28 CO 0.02 0.40 0.23 0.00 0.02 0.00 0.00 177.57 178.24 1oqw h ALA 29 N 1.02 0.71 -0.68 1.67 0.00 -0.88 -1.32 119.26 119.78 1oqw h ALA 29 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1oqw h ALA 29 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1oqw h ALA 29 CO 0.02 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.74 1oqw h ARG 30 N 0.75 1.09 -0.19 0.00 3.08 -1.01 -2.73 114.38 115.37 1oqw h ARG 30 Ca 0.19 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1oqw h ARG 30 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1oqw h ARG 30 CO -0.02 0.97 -0.16 0.77 -1.07 0.00 0.00 179.97 180.46 1oqw h SER 31 N 1.03 0.30 -0.31 7.04 0.02 -0.83 -2.51 113.55 118.30 1oqw h SER 31 Ca 0.21 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1oqw h SER 31 Cb 0.38 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1oqw h SER 31 CO 0.00 0.49 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.78 1oqw h GLU 32 N 0.29 0.59 -0.95 3.45 5.08 -0.96 -1.46 114.58 120.62 1oqw h GLU 32 Ca 0.06 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1oqw h GLU 32 Cb 0.46 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1oqw h GLU 32 CO 0.03 0.77 0.62 0.78 -1.00 0.00 0.00 179.01 180.21 1oqw h GLY 33 N 0.36 1.36 1.16 -3.84 0.00 -1.25 -1.22 103.07 99.63 1oqw h GLY 33 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1oqw h GLY 33 CO 0.03 0.44 -0.02 0.00 0.00 0.00 0.00 176.54 176.99 1oqw h ALA 34 N 1.37 0.89 -0.41 3.60 0.00 -1.27 -2.64 119.26 120.80 1oqw h ALA 34 Ca 0.36 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1oqw h ALA 34 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1oqw h ALA 34 CO -0.10 0.65 -0.20 1.03 0.00 0.00 0.00 179.25 180.63 1oqw h SER 35 N 0.91 0.88 -0.05 0.00 0.87 -0.83 -1.76 113.55 113.58 1oqw h SER 35 Ca 0.16 -0.41 0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1oqw h SER 35 Cb 0.56 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1oqw h SER 35 CO 0.03 1.09 -0.00 0.00 -0.53 0.00 0.00 176.83 177.42 1oqw h ALA 36 N 0.82 0.04 -0.76 6.23 0.00 -1.16 -2.50 119.26 121.93 1oqw h ALA 36 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1oqw h ALA 36 Cb 0.76 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1oqw h ALA 36 CO 0.06 -0.48 0.31 1.25 0.00 0.00 0.00 179.25 180.39 1oqw h LEU 37 N 0.02 1.04 -1.46 0.00 5.85 -1.46 -2.75 115.31 116.55 1oqw h LEU 37 Ca 0.02 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1oqw h LEU 37 Cb 0.03 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1oqw h LEU 37 CO -0.04 0.92 0.00 0.00 -0.34 0.00 0.00 178.44 178.97 1oqw h ALA 38 N 1.23 1.00 0.00 1.25 0.00 -1.09 -1.40 119.26 120.25 1oqw h ALA 38 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1oqw h ALA 38 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1oqw h ALA 38 CO -0.02 0.00 -0.53 0.77 0.00 0.00 0.00 179.25 179.47 1oqw h SER 39 N 0.00 0.00 0.00 0.00 0.02 -1.13 -3.38 113.55 109.06 1oqw h SER 39 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1oqw h SER 39 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1oqw h SER 39 CO 0.00 0.48 -1.73 1.33 -1.14 0.00 0.00 176.83 175.77 1oqw n VAL 40 N -3.20 0.54 -0.20 2.27 0.24 -1.06 -4.68 118.33 112.24 1oqw n VAL 40 Ca 0.01 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1oqw n VAL 40 Cb 0.73 -0.39 0.09 0.00 -1.47 0.00 0.00 33.84 32.81 1oqw n VAL 40 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1oqw h ASN 41 N 0.00 -0.26 0.03 -1.34 -1.24 -1.44 -0.20 115.58 111.12 1oqw h ASN 41 Ca -0.21 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1oqw h ASN 41 Cb 1.34 0.26 -0.00 0.00 0.73 0.00 0.00 38.32 40.65 1oqw h ASN 41 CO 0.01 -0.11 -0.02 -0.65 -1.29 0.00 0.00 177.43 175.37 1oqw h PRO 42 N 0.12 0.00 0.00 6.67 0.11 -1.83 -2.21 132.00 134.86 1oqw h PRO 42 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1oqw h PRO 42 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1oqw h PRO 42 CO -0.51 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.23 1oqw h LEU 43 N 0.00 0.00 -0.86 2.35 3.38 -1.30 -2.61 115.31 116.26 1oqw h LEU 43 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1oqw h LEU 43 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1oqw h LEU 43 CO 0.00 0.00 0.45 0.11 0.09 0.00 0.00 178.44 179.09 1oqw h LYS 44 N 0.00 1.22 -0.73 1.13 1.57 -1.40 -2.07 116.57 116.29 1oqw h LYS 44 Ca 0.00 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1oqw h LYS 44 Cb 0.36 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1oqw h LYS 44 CO 0.00 0.91 0.26 1.15 -0.57 0.00 0.00 179.45 181.20 1oqw h THR 45 N 1.21 1.25 -0.74 -0.16 2.02 -1.65 -0.55 112.91 114.29 1oqw h THR 45 Ca 0.30 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1oqw h THR 45 Cb 0.07 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1oqw h THR 45 CO -0.04 0.33 0.29 0.74 0.37 0.00 0.00 175.52 177.20 1oqw h THR 46 N 1.07 1.25 0.13 3.16 2.02 -1.51 -1.47 112.91 117.56 1oqw h THR 46 Ca 0.24 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1oqw h THR 46 Cb 0.25 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1oqw h THR 46 CO -0.01 0.33 -0.06 0.58 0.37 0.00 0.00 175.52 176.72 1oqw h VAL 47 N 1.08 1.03 -0.67 3.16 2.07 -0.93 -2.82 116.25 119.17 1oqw h VAL 47 Ca 0.25 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1oqw h VAL 47 Cb 0.22 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1oqw h VAL 47 CO -0.02 0.17 0.36 -0.33 0.02 0.00 0.00 177.57 177.77 1oqw h GLU 48 N -0.54 0.63 -0.58 1.57 4.39 -0.98 -1.75 114.58 117.31 1oqw h GLU 48 Ca -0.02 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1oqw h GLU 48 Cb 0.42 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1oqw h GLU 48 CO 0.03 0.41 0.18 0.93 -1.16 0.00 0.00 179.01 179.40 1oqw h GLU 49 N 0.65 0.88 -0.25 2.33 5.08 -1.31 -1.43 114.58 120.52 1oqw h GLU 49 Ca 0.31 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1oqw h GLU 49 Cb 0.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1oqw h GLU 49 CO -0.21 0.76 -0.01 0.00 -1.00 0.00 0.00 179.01 178.55 1oqw h ALA 50 N 1.34 0.34 0.00 3.43 0.00 -1.15 -2.97 119.26 120.25 1oqw h ALA 50 Ca 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1oqw h ALA 50 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1oqw h ALA 50 CO -0.01 0.09 -0.20 -0.07 0.00 0.00 0.00 179.25 179.06 1oqw h LEU 51 N 0.23 0.00 -0.87 0.00 3.38 -1.08 -0.90 115.31 116.08 1oqw h LEU 51 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1oqw h LEU 51 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1oqw h LEU 51 CO 0.02 0.20 0.00 0.77 0.09 0.00 0.00 178.44 179.52 1oqw h SER 52 N 0.00 0.00 0.18 -0.43 4.64 -1.11 -2.62 113.55 114.20 1oqw h SER 52 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oqw h SER 52 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1oqw h SER 52 CO 0.03 0.00 -0.68 0.54 -0.87 0.00 0.00 176.83 175.84 1oqw n ARG 53 N -2.87 0.28 -1.28 4.77 1.74 -0.78 -4.95 116.66 113.57 1oqw n ARG 53 Ca 0.02 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1oqw n ARG 53 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1oqw n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oqw n GLY 54 N 1.47 0.52 3.89 -0.13 0.00 -0.99 -5.06 105.19 104.89 1oqw n GLY 54 Ca 0.06 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 1oqw n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oqw s TRP 55 N -2.00 1.81 0.34 1.61 0.52 -0.41 -5.02 118.94 115.79 1oqw s TRP 55 Ca 0.00 -0.79 0.09 0.00 0.02 0.00 0.00 56.10 55.42 1oqw s TRP 55 Cb 0.00 -1.94 -0.05 0.00 -1.15 0.00 0.00 33.47 30.33 1oqw s TRP 55 CO 0.00 -0.38 0.03 -1.12 0.02 0.00 0.00 176.95 175.50 1oqw s SER 56 N -4.23 4.27 0.02 2.95 0.01 -0.32 -3.97 113.70 112.42 1oqw s SER 56 Ca 0.35 -0.95 0.06 0.00 1.31 0.00 0.00 55.95 56.72 1oqw s SER 56 Cb -0.02 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 1oqw s SER 56 CO 0.22 -0.25 -0.16 0.54 0.41 0.00 0.00 173.24 173.99 1oqw s VAL 57 N -2.50 2.90 0.13 3.43 0.11 -0.72 -0.92 120.40 122.82 1oqw s VAL 57 Ca 0.35 -1.04 0.06 0.00 -2.93 0.00 0.00 61.98 58.42 1oqw s VAL 57 Cb -0.00 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1oqw s VAL 57 CO 0.20 0.41 -0.14 -1.59 -3.33 0.00 0.00 175.10 170.65 1oqw s LYS 58 N -1.25 1.05 0.67 1.54 -2.85 0.35 -1.73 119.74 117.53 1oqw s LYS 58 Ca 0.14 -1.27 -0.08 0.00 -1.00 0.00 0.00 55.97 53.76 1oqw s LYS 58 Cb -0.11 -0.93 0.03 0.00 -2.06 0.00 0.00 37.83 34.77 1oqw s LYS 58 CO 0.04 0.17 1.00 -1.54 0.10 0.00 0.00 175.35 175.13 1oqw s SER 59 N -2.53 5.21 0.00 0.03 1.04 -1.26 -1.61 113.70 114.57 1oqw s SER 59 Ca 0.10 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1oqw s SER 59 Cb -0.04 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1oqw s SER 59 CO 0.03 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.49 1oqw n GLY 60 N -2.85 -2.07 1.39 7.32 0.00 -1.26 -4.67 105.19 103.05 1oqw n GLY 60 Ca 0.06 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1oqw n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oqw n THR 61 N -0.02 2.33 -0.15 2.61 -2.24 -1.26 -1.73 114.28 113.80 1oqw n THR 61 Ca 0.00 -3.71 0.00 0.00 -2.27 0.00 0.00 64.05 58.07 1oqw n THR 61 Cb 0.00 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1oqw n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oqw n GLY 62 N -0.87 -0.71 3.81 3.38 0.00 -1.26 -4.98 105.19 104.56 1oqw n GLY 62 Ca 0.32 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 1oqw n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oqw s THR 63 N -0.04 3.22 0.36 2.61 -4.23 -1.26 -4.80 115.64 111.50 1oqw s THR 63 Ca 0.00 -1.48 -0.28 0.00 -1.18 0.00 0.00 61.69 58.76 1oqw s THR 63 Cb 0.00 -3.09 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 1oqw s THR 63 CO 0.00 -0.15 1.29 -1.61 -0.54 0.00 0.00 174.62 173.61 1oqw s GLU 64 N -3.96 4.21 -0.33 3.99 2.02 -1.26 -4.65 118.70 118.72 1oqw s GLU 64 Ca 0.41 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.56 1oqw s GLU 64 Cb -0.04 -2.94 0.08 0.00 0.10 0.00 0.00 34.13 31.32 1oqw s GLU 64 CO 0.25 -0.29 0.04 0.34 0.02 0.00 0.00 175.26 175.62 1oqw s ASP 65 N -0.62 4.87 0.30 -0.19 -1.08 -0.52 -4.98 116.67 114.46 1oqw s ASP 65 Ca 0.52 -1.66 0.07 0.00 -0.52 0.00 0.00 52.55 50.95 1oqw s ASP 65 Cb -0.38 -1.69 0.48 0.00 -1.46 0.00 0.00 42.92 39.87 1oqw s ASP 65 CO 0.50 -0.34 1.72 0.00 0.52 0.00 0.00 175.17 177.58 1oqw h ALA 66 N 7.89 1.15 0.01 3.66 0.00 -1.94 0.23 119.26 130.25 1oqw h ALA 66 Ca -0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1oqw h ALA 66 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1oqw h ALA 66 CO 0.56 0.56 -0.00 1.15 0.00 0.00 0.00 179.25 181.52 1oqw h THR 67 N 0.21 1.13 -0.02 0.00 2.02 -1.98 -3.19 112.91 111.09 1oqw h THR 67 Ca 0.02 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1oqw h THR 67 Cb 0.77 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1oqw h THR 67 CO 0.06 0.10 -0.29 0.29 0.37 0.00 0.00 175.52 176.05 1oqw n LYS 68 N -5.01 1.32 -3.45 6.66 5.02 -1.22 -4.99 118.16 116.49 1oqw n LYS 68 Ca -0.08 -0.99 -0.20 0.00 -2.02 0.00 0.00 58.31 55.02 1oqw n LYS 68 Cb 0.11 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1oqw n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oqw n LYS 69 N 0.03 -2.94 -4.97 1.97 5.02 0.75 -4.83 118.16 113.19 1oqw n LYS 69 Ca 0.12 0.73 -0.27 0.00 -2.02 0.00 0.00 58.31 56.86 1oqw n LYS 69 Cb 0.44 -5.31 -0.16 0.00 -0.02 0.00 0.00 35.03 29.98 1oqw n LYS 69 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1oqw s GLU 70 N -5.15 1.85 -0.08 1.97 2.02 -0.84 -1.17 118.70 117.30 1oqw s GLU 70 Ca 0.34 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.66 1oqw s GLU 70 Cb -0.07 -1.67 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1oqw s GLU 70 CO 0.78 0.34 -0.20 0.08 0.02 0.00 0.00 175.26 176.28 1oqw s VAL 71 N -0.20 2.44 0.57 2.63 1.01 -0.10 -1.43 120.40 125.32 1oqw s VAL 71 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1oqw s VAL 71 Cb -0.10 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 1oqw s VAL 71 CO 0.01 0.56 1.01 -2.16 0.00 0.00 0.00 175.10 174.52 1oqw s PRO 72 N -0.01 3.72 0.39 2.72 0.04 -1.26 -0.49 135.00 140.11 1oqw s PRO 72 Ca -0.07 0.90 0.21 0.00 0.04 0.00 0.00 61.00 62.08 1oqw s PRO 72 Cb -0.15 -2.10 0.64 0.00 0.04 0.00 0.00 34.50 32.93 1oqw s PRO 72 CO 0.05 -0.46 1.70 -0.07 0.04 0.00 0.00 177.00 178.26 1oqw h LEU 73 N 0.36 0.00 0.16 -3.56 3.38 -1.33 -3.46 115.31 110.86 1oqw h LEU 73 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1oqw h LEU 73 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1oqw h LEU 73 CO 0.61 0.32 -0.06 0.61 0.09 0.00 0.00 178.44 180.01 1oqw n GLY 74 N 0.46 0.57 3.12 0.83 0.00 -0.71 -5.01 105.19 104.46 1oqw n GLY 74 Ca 0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1oqw n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oqw s VAL 75 N -2.11 -0.02 0.53 1.61 0.11 -1.23 -4.93 120.40 114.37 1oqw s VAL 75 Ca 0.00 0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 58.91 1oqw s VAL 75 Cb 0.00 -0.39 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 1oqw s VAL 75 CO 0.00 0.02 1.16 0.00 -3.33 0.00 0.00 175.10 172.95 1oqw s ALA 76 N 0.63 2.73 0.41 1.54 0.00 -1.26 -4.30 121.76 121.50 1oqw s ALA 76 Ca -0.04 0.90 0.14 0.00 0.00 0.00 0.00 51.96 52.96 1oqw s ALA 76 Cb -0.05 -3.39 0.99 0.00 0.00 0.00 0.00 23.12 20.67 1oqw s ALA 76 CO -0.04 -0.84 1.90 0.00 0.00 0.00 0.00 175.76 176.79 1oqw h ALA 77 N 1.33 2.04 -0.51 0.00 0.00 -1.96 -2.58 119.26 117.59 1oqw h ALA 77 Ca -0.50 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1oqw h ALA 77 Cb 1.27 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1oqw h ALA 77 CO 0.57 -0.26 0.12 -0.40 0.00 0.00 0.00 179.25 179.28 1oqw n ASP 78 N -4.50 4.02 -0.07 0.00 5.75 -1.26 -1.48 116.55 119.01 1oqw n ASP 78 Ca 0.15 -3.28 0.06 0.00 -0.01 0.00 0.00 54.79 51.71 1oqw n ASP 78 Cb 0.52 -0.66 0.42 0.00 -1.03 0.00 0.00 41.12 40.37 1oqw n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oqw h ALA 79 N 2.01 1.77 -2.48 2.12 0.00 -1.75 -3.35 119.26 117.58 1oqw h ALA 79 Ca 0.18 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.33 1oqw h ALA 79 Cb 1.92 -0.16 -0.24 0.00 0.00 0.00 0.00 17.79 19.31 1oqw h ALA 79 CO 0.51 0.16 -0.39 1.21 0.00 0.00 0.00 179.25 180.74 1oqw s ASN 80 N -6.47 5.99 0.00 0.00 3.04 -1.26 -4.96 114.94 111.29 1oqw s ASN 80 Ca -0.09 -1.28 0.00 0.00 0.04 0.00 0.00 52.86 51.54 1oqw s ASN 80 Cb 0.18 -2.12 0.00 0.00 -1.54 0.00 0.00 41.25 37.77 1oqw s ASN 80 CO 0.75 -0.57 0.76 0.29 -3.04 0.00 0.00 177.10 175.29 1oqw n LYS 81 N 5.12 0.00 0.23 0.43 5.02 -1.26 -1.59 118.16 126.11 1oqw n LYS 81 Ca -0.12 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 1oqw n LYS 81 Cb 0.44 -1.59 0.52 0.00 -0.02 0.00 0.00 35.03 34.39 1oqw n LYS 81 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1oqw h LEU 82 N 0.00 0.00 0.00 -0.35 5.85 -1.92 -3.40 115.31 115.49 1oqw h LEU 82 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1oqw h LEU 82 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1oqw h LEU 82 CO 0.00 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.94 1oqw n GLY 83 N -0.17 -0.88 3.09 3.75 0.00 -0.62 -0.87 105.19 109.49 1oqw n GLY 83 Ca -0.01 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1oqw n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oqw s THR 84 N -4.00 0.98 -0.12 2.61 -4.23 -0.44 -4.60 115.64 105.84 1oqw s THR 84 Ca 0.00 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1oqw s THR 84 Cb 0.00 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1oqw s THR 84 CO 0.00 0.24 0.14 -0.63 -0.54 0.00 0.00 174.62 173.83 1oqw s ILE 85 N -0.36 5.50 -0.00 2.99 1.01 -0.55 -1.59 121.20 128.20 1oqw s ILE 85 Ca 0.04 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 1oqw s ILE 85 Cb -0.05 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1oqw s ILE 85 CO -0.00 0.61 0.13 0.00 0.00 0.00 0.00 174.94 175.67 1oqw s ALA 86 N -0.96 -0.30 -0.06 9.38 0.00 -0.71 -4.71 121.76 124.40 1oqw s ALA 86 Ca 0.15 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1oqw s ALA 86 Cb -0.12 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1oqw s ALA 86 CO 0.04 -0.19 -0.21 -1.17 0.00 0.00 0.00 175.76 174.22 1oqw s LEU 87 N -1.25 2.00 -0.13 0.00 2.96 -1.26 -1.83 118.68 119.16 1oqw s LEU 87 Ca -0.13 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1oqw s LEU 87 Cb -0.07 -1.21 0.05 0.00 0.50 0.00 0.00 46.19 45.46 1oqw s LEU 87 CO 0.01 0.19 0.31 -0.54 -1.32 0.00 0.00 176.35 175.00 1oqw s LYS 88 N 0.02 0.27 0.81 1.98 1.02 -0.96 -4.15 119.74 118.74 1oqw s LYS 88 Ca -0.06 0.63 -0.11 0.00 0.02 0.00 0.00 55.97 56.45 1oqw s LYS 88 Cb -0.14 -0.08 0.08 0.00 -0.52 0.00 0.00 37.83 37.17 1oqw s LYS 88 CO 0.04 -0.17 1.09 -1.25 -0.92 0.00 0.00 175.35 174.14 1oqw s PRO 89 N 1.35 2.00 -0.21 -1.68 0.04 -1.26 -1.34 135.00 133.90 1oqw s PRO 89 Ca -0.09 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 61.71 1oqw s PRO 89 Cb -0.10 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.61 1oqw s PRO 89 CO -0.10 -1.72 0.03 0.34 0.04 0.00 0.00 177.00 175.59 1oqw s ASP 90 N -3.70 3.07 0.97 6.66 2.15 -1.26 -3.45 116.67 121.11 1oqw s ASP 90 Ca 0.61 -0.91 -0.14 0.00 0.43 0.00 0.00 52.55 52.54 1oqw s ASP 90 Cb -0.16 -0.66 0.17 0.00 -0.30 0.00 0.00 42.92 41.98 1oqw s ASP 90 CO 0.55 -0.31 1.14 -2.16 -0.17 0.00 0.00 175.17 174.23 1oqw s PRO 91 N 1.80 0.65 -0.05 4.34 0.04 -1.26 -5.02 135.00 135.50 1oqw s PRO 91 Ca -0.01 0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.25 1oqw s PRO 91 Cb -0.17 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1oqw s PRO 91 CO -0.09 -2.52 -0.08 0.00 0.04 0.00 0.00 177.00 174.35 1oqw s ALA 92 N -3.25 0.91 -1.28 8.56 0.00 -0.71 -4.97 121.76 121.02 1oqw s ALA 92 Ca 0.66 -0.23 0.13 0.00 0.00 0.00 0.00 51.96 52.52 1oqw s ALA 92 Cb -0.14 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1oqw s ALA 92 CO 0.54 0.07 0.78 -0.40 0.00 0.00 0.00 175.76 176.75 1oqw n ASP 93 N 3.78 1.57 0.00 0.00 5.68 -1.26 -1.76 116.55 124.56 1oqw n ASP 93 Ca -0.23 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 1oqw n ASP 93 Cb 0.52 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 1oqw n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oqw n GLY 94 N 0.94 0.62 0.03 6.12 0.00 -1.26 -4.91 105.19 106.74 1oqw n GLY 94 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1oqw n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oqw n THR 95 N -2.00 0.00 -4.08 2.61 -2.24 -1.26 -4.80 114.28 102.50 1oqw n THR 95 Ca 0.00 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1oqw n THR 95 Cb 0.00 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 1oqw n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oqw s ALA 96 N -2.68 0.55 0.63 6.98 0.00 -1.26 -4.98 121.76 121.00 1oqw s ALA 96 Ca 0.24 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 1oqw s ALA 96 Cb 0.20 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 1oqw s ALA 96 CO 0.50 -0.53 1.19 -0.25 0.00 0.00 0.00 175.76 176.67 1oqw n ASP 97 N -0.11 1.71 -4.19 0.00 8.00 -1.26 -4.53 116.55 116.17 1oqw n ASP 97 Ca -0.07 0.83 -0.23 0.00 0.71 0.00 0.00 54.79 56.03 1oqw n ASP 97 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.09 1oqw n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1oqw s ILE 98 N -1.42 1.39 -0.00 0.53 1.01 -0.60 -4.44 121.20 117.67 1oqw s ILE 98 Ca 0.80 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1oqw s ILE 98 Cb -0.40 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1oqw s ILE 98 CO 0.43 0.21 -0.13 0.42 0.00 0.00 0.00 174.94 175.87 1oqw s THR 99 N -0.67 1.05 -0.16 2.92 -4.23 -0.45 -0.42 115.64 113.67 1oqw s THR 99 Ca 0.05 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1oqw s THR 99 Cb -0.08 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.90 1oqw s THR 99 CO 0.01 0.24 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.39 1oqw s LEU 100 N -0.45 1.96 0.12 4.79 1.43 -0.49 -2.26 118.68 123.77 1oqw s LEU 100 Ca 0.04 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1oqw s LEU 100 Cb -0.06 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1oqw s LEU 100 CO -0.00 -0.01 -0.20 0.42 0.23 0.00 0.00 176.35 176.79 1oqw s THR 101 N 1.32 1.69 -0.19 5.49 -4.23 -0.76 -1.01 115.64 117.95 1oqw s THR 101 Ca 0.04 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1oqw s THR 101 Cb -0.13 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.16 1oqw s THR 101 CO -0.11 -0.14 -0.07 0.12 -0.54 0.00 0.00 174.62 173.88 1oqw s PHE 102 N -1.41 2.05 -0.30 3.99 2.19 -0.70 -1.74 117.98 122.06 1oqw s PHE 102 Ca 0.08 -1.36 -0.12 0.00 0.33 0.00 0.00 56.93 55.86 1oqw s PHE 102 Cb -0.09 -1.47 -0.04 0.00 -1.31 0.00 0.00 43.02 40.12 1oqw s PHE 102 CO 0.05 -0.69 0.24 0.99 1.83 0.00 0.00 175.22 177.64 1oqw s THR 103 N 1.52 5.28 -1.45 0.12 2.01 -0.62 -2.07 115.64 120.42 1oqw s THR 103 Ca -0.01 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 1oqw s THR 103 Cb -0.16 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.78 1oqw s THR 103 CO -0.08 0.16 2.27 0.23 -0.69 0.00 0.00 174.62 176.51 1oqw n MET 104 N 5.13 3.15 0.25 4.92 0.00 -0.57 -1.33 117.12 128.67 1oqw n MET 104 Ca -0.13 -2.73 0.16 0.00 0.00 0.00 0.00 57.70 55.00 1oqw n MET 104 Cb 0.51 -3.14 0.63 0.00 0.00 0.00 0.00 33.22 31.22 1oqw n MET 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1oqw h GLY 105 N 9.10 0.00 -1.75 3.03 0.00 -1.85 -0.08 103.07 111.52 1oqw h GLY 105 Ca 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 1oqw h GLY 105 CO 1.82 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.97 1oqw n GLY 106 N 0.08 4.00 3.94 4.60 0.00 -0.05 -4.72 105.19 113.04 1oqw n GLY 106 Ca 0.01 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1oqw n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqw s ALA 107 N -2.84 3.03 1.18 4.61 0.00 -1.20 -4.81 121.76 121.73 1oqw s ALA 107 Ca 0.43 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1oqw s ALA 107 Cb 0.35 -2.58 0.29 0.00 0.00 0.00 0.00 23.12 21.17 1oqw s ALA 107 CO 0.09 -1.54 1.17 0.20 0.00 0.00 0.00 175.76 175.68 1oqw s GLY 108 N -4.61 1.65 0.30 0.00 0.00 -1.26 -4.40 107.32 99.00 1oqw s GLY 108 Ca 0.63 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 44.27 1oqw s GLY 108 CO 0.46 -0.22 1.68 -2.55 0.00 0.00 0.00 173.10 172.47 1oqw h PRO 109 N -2.49 0.33 -0.34 2.90 0.11 -1.98 -0.61 132.00 129.92 1oqw h PRO 109 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1oqw h PRO 109 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1oqw h PRO 109 CO 0.29 0.22 0.09 0.87 -0.21 0.00 0.00 178.00 179.26 1oqw h LYS 110 N 0.34 0.55 -0.01 1.05 6.56 -1.97 -3.33 116.57 119.76 1oqw h LYS 110 Ca 0.60 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1oqw h LYS 110 Cb 1.20 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1oqw h LYS 110 CO -0.58 0.60 -0.53 0.09 -2.06 0.00 0.00 179.45 176.97 1oqw n ASN 111 N -4.63 1.52 -4.73 0.86 3.02 -1.09 -4.83 115.26 105.39 1oqw n ASN 111 Ca -0.01 -1.26 -0.62 0.00 -0.03 0.00 0.00 54.58 52.65 1oqw n ASN 111 Cb 0.19 0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 39.90 1oqw n ASN 111 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1oqw n LYS 112 N -0.47 0.62 -0.30 3.52 4.81 -0.26 -0.76 118.16 125.33 1oqw n LYS 112 Ca 0.06 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1oqw n LYS 112 Cb 0.36 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1oqw n LYS 112 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1oqw n GLY 113 N 4.14 2.25 3.77 3.14 0.00 -0.05 -5.00 105.19 113.44 1oqw n GLY 113 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1oqw n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oqw s LYS 114 N -0.05 2.49 -0.04 1.61 -0.14 0.06 -4.64 119.74 119.03 1oqw s LYS 114 Ca 0.00 1.24 0.03 0.00 -1.36 0.00 0.00 55.97 55.88 1oqw s LYS 114 Cb 0.00 -1.92 0.01 0.00 -1.68 0.00 0.00 37.83 34.23 1oqw s LYS 114 CO 0.00 -1.47 -0.11 0.42 -0.76 0.00 0.00 175.35 173.43 1oqw s ILE 115 N -2.70 0.98 -0.18 2.17 1.01 -1.26 -1.51 121.20 119.71 1oqw s ILE 115 Ca 0.63 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 1oqw s ILE 115 Cb -0.18 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1oqw s ILE 115 CO 0.50 0.31 0.00 -0.63 0.00 0.00 0.00 174.94 175.13 1oqw s ILE 116 N 0.35 4.17 -0.08 2.92 1.01 -0.88 -2.78 121.20 125.90 1oqw s ILE 116 Ca -0.07 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1oqw s ILE 116 Cb -0.12 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 1oqw s ILE 116 CO 0.02 0.46 -0.23 -0.89 0.00 0.00 0.00 174.94 174.30 1oqw s THR 117 N 0.60 1.93 -0.26 2.92 2.01 -0.20 -1.72 115.64 120.92 1oqw s THR 117 Ca -0.00 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1oqw s THR 117 Cb -0.14 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1oqw s THR 117 CO 0.02 0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 173.74 1oqw s LEU 118 N 0.19 3.43 -0.14 4.42 1.43 -0.18 -1.58 118.68 126.25 1oqw s LEU 118 Ca -0.13 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1oqw s LEU 118 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1oqw s LEU 118 CO 0.06 -0.13 -0.10 -0.89 0.23 0.00 0.00 176.35 175.53 1oqw s THR 119 N 1.45 3.32 -0.33 5.49 2.01 -0.28 -1.39 115.64 125.91 1oqw s THR 119 Ca 0.03 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 1oqw s THR 119 Cb -0.16 -2.42 0.04 0.00 0.01 0.00 0.00 72.50 69.97 1oqw s THR 119 CO -0.01 0.51 0.10 -0.60 -0.69 0.00 0.00 174.62 173.94 1oqw s ARG 120 N 0.35 2.67 -0.14 4.92 3.52 0.44 -1.21 118.95 129.50 1oqw s ARG 120 Ca -0.09 -1.15 -0.29 0.00 -0.13 0.00 0.00 55.73 54.07 1oqw s ARG 120 Cb -0.15 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1oqw s ARG 120 CO 0.05 -0.64 1.05 0.95 -0.81 0.00 0.00 175.30 175.90 1oqw s THR 121 N 1.41 4.67 0.42 4.11 -4.23 -0.81 -1.55 115.64 119.66 1oqw s THR 121 Ca -0.01 1.97 0.22 0.00 -1.18 0.00 0.00 61.69 62.68 1oqw s THR 121 Cb -0.19 -4.27 0.24 0.00 1.34 0.00 0.00 72.50 69.62 1oqw s THR 121 CO 0.03 -0.06 2.02 0.00 -0.54 0.00 0.00 174.62 176.07 1oqw h ALA 122 N 7.31 1.43 0.00 3.99 0.00 -1.87 0.32 119.26 130.43 1oqw h ALA 122 Ca -0.27 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1oqw h ALA 122 Cb 1.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1oqw h ALA 122 CO 0.90 0.21 -0.30 0.00 0.00 0.00 0.00 179.25 180.06 1oqw h ALA 123 N 1.84 1.42 0.00 0.00 0.00 -1.92 -3.35 119.26 117.25 1oqw h ALA 123 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1oqw h ALA 123 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1oqw h ALA 123 CO 0.02 0.38 -0.10 -0.40 0.00 0.00 0.00 179.25 179.15 1oqw n ASP 124 N -4.06 0.48 -0.14 0.00 3.85 -1.14 -5.04 116.55 110.50 1oqw n ASP 124 Ca -0.02 -0.20 -0.02 0.00 -0.71 0.00 0.00 54.79 53.85 1oqw n ASP 124 Cb 0.36 0.49 -0.01 0.00 -1.35 0.00 0.00 41.12 40.61 1oqw n ASP 124 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1oqw n GLY 125 N 0.63 0.54 3.90 6.12 0.00 0.11 -5.04 105.19 111.45 1oqw n GLY 125 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1oqw n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oqw s LEU 126 N -0.41 4.21 -0.00 0.99 1.43 -1.24 -4.86 118.68 118.81 1oqw s LEU 126 Ca 0.00 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1oqw s LEU 126 Cb 0.00 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1oqw s LEU 126 CO 0.00 -0.02 0.02 0.26 0.23 0.00 0.00 176.35 176.84 1oqw s TRP 127 N -1.77 3.11 -0.01 0.29 0.52 -1.26 -1.92 118.94 117.90 1oqw s TRP 127 Ca 0.42 0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.65 1oqw s TRP 127 Cb -0.12 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 1oqw s TRP 127 CO 0.25 0.48 0.01 0.21 0.02 0.00 0.00 176.95 177.92 1oqw s LYS 128 N -1.60 0.00 -0.19 4.98 2.20 -0.35 -4.96 119.74 119.82 1oqw s LYS 128 Ca 0.20 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1oqw s LYS 128 Cb -0.12 -0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.09 1oqw s LYS 128 CO 0.11 -0.04 0.03 0.00 -0.36 0.00 0.00 175.35 175.09 1oqw s THR 130 N 0.78 1.26 -0.01 0.00 -4.23 -0.62 -2.32 115.64 110.50 1oqw s THR 130 Ca 0.02 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 1oqw s THR 130 Cb -0.14 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.11 1oqw s THR 130 CO 0.02 -0.52 0.24 -0.55 -0.54 0.00 0.00 174.62 173.26 1oqw s SER 131 N -2.67 -0.10 -0.19 3.99 0.15 0.54 -1.03 113.70 114.40 1oqw s SER 131 Ca 0.11 -0.03 0.16 0.00 0.70 0.00 0.00 55.95 56.89 1oqw s SER 131 Cb -0.03 0.27 0.61 0.00 -1.71 0.00 0.00 66.02 65.17 1oqw s SER 131 CO 0.02 -0.41 1.51 -0.90 1.20 0.00 0.00 173.24 174.67 1oqw n ASP 132 N 1.39 4.39 -4.35 5.45 5.68 -1.12 -4.38 116.55 123.61 1oqw n ASP 132 Ca -0.22 -2.96 -0.29 0.00 -0.50 0.00 0.00 54.79 50.82 1oqw n ASP 132 Cb 0.56 -0.58 0.17 0.00 -1.14 0.00 0.00 41.12 40.13 1oqw n ASP 132 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1oqw s GLN 133 N -2.75 0.64 0.27 0.11 -0.21 -1.26 -4.86 119.66 111.60 1oqw s GLN 133 Ca 0.45 -0.10 -0.29 0.00 0.02 0.00 0.00 55.36 55.44 1oqw s GLN 133 Cb 0.36 -1.82 -0.10 0.00 1.00 0.00 0.00 33.01 32.45 1oqw s GLN 133 CO 0.11 -2.47 1.33 -0.51 -2.12 0.00 0.00 175.29 171.64 1oqw s ASP 134 N -4.46 6.80 0.40 5.90 1.01 -1.26 -4.88 116.67 120.17 1oqw s ASP 134 Ca 0.69 2.59 0.22 0.00 0.71 0.00 0.00 52.55 56.76 1oqw s ASP 134 Cb -0.09 -2.63 1.24 0.00 1.01 0.00 0.00 42.92 42.46 1oqw s ASP 134 CO 0.53 -0.56 1.68 -0.33 0.21 0.00 0.00 175.17 176.70 1oqw h GLU 135 N 4.37 0.23 0.00 8.23 5.08 -1.97 -0.08 114.58 130.45 1oqw h GLU 135 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1oqw h GLU 135 Cb 1.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1oqw h GLU 135 CO 0.72 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.88 1oqw n GLN 136 N -4.76 0.08 -0.04 2.33 10.64 -1.26 -2.66 117.38 121.70 1oqw n GLN 136 Ca 0.32 0.38 0.05 0.00 -1.83 0.00 0.00 57.00 55.92 1oqw n GLN 136 Cb 1.14 -1.67 0.06 0.00 -0.86 0.00 0.00 30.24 28.92 1oqw n GLN 136 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1oqw n PHE 137 N -1.82 0.10 -2.45 2.61 3.72 -0.05 -4.93 117.46 114.64 1oqw n PHE 137 Ca 0.02 -0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 1oqw n PHE 137 Cb 0.15 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 1oqw n PHE 137 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1oqw s ILE 138 N -0.86 3.79 0.64 4.37 1.01 -1.09 -4.64 121.20 124.41 1oqw s ILE 138 Ca 0.14 1.49 -0.18 0.00 0.00 0.00 0.00 60.65 62.10 1oqw s ILE 138 Cb 0.09 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1oqw s ILE 138 CO 0.13 0.23 1.23 -2.84 0.00 0.00 0.00 174.94 173.69 1oqw s PRO 139 N -0.13 2.66 0.17 2.79 0.02 -1.26 -4.95 135.00 134.30 1oqw s PRO 139 Ca 0.52 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 63.09 1oqw s PRO 139 Cb -0.30 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 1oqw s PRO 139 CO 0.35 -1.46 1.49 0.15 -0.33 0.00 0.00 177.00 177.20 1oqw s LYS 140 N -3.51 4.25 0.00 5.54 3.01 -1.26 -2.05 119.74 125.73 1oqw s LYS 140 Ca 0.78 2.28 0.00 0.00 -1.01 0.00 0.00 55.97 58.01 1oqw s LYS 140 Cb -0.32 -3.17 0.00 0.00 -1.01 0.00 0.00 37.83 33.34 1oqw s LYS 140 CO 0.38 -0.52 0.00 0.41 0.51 0.00 0.00 175.35 176.13 1oqw n GLY 141 N 3.34 0.73 3.70 -3.33 0.00 -1.26 -5.07 105.19 103.31 1oqw n GLY 141 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1oqw n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqw n SER 143 N -1.07 -0.59 0.00 0.00 3.41 -0.98 -4.82 113.62 109.56 1oqw n SER 143 Ca -0.04 -1.58 0.14 0.00 -0.26 0.00 0.00 58.87 57.14 1oqw n SER 143 Cb 0.61 1.03 0.85 0.00 -0.26 0.00 0.00 64.21 66.44 1oqw n SER 143 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42