#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 1.01 0.35 -2.13 -4.23 -1.26 -5.05 115.64 104.33 1oqw s THR 2 Ca 0.00 -2.03 0.10 0.00 -1.18 0.00 0.00 61.69 58.58 1oqw s THR 2 Cb 0.00 -2.07 0.08 0.00 1.34 0.00 0.00 72.50 71.85 1oqw s THR 2 CO 0.00 -0.55 1.79 -0.07 -0.54 0.00 0.00 174.62 175.25 1oqw h LEU 3 N 2.66 0.10 -0.21 4.79 3.38 -2.05 -2.15 115.31 121.82 1oqw h LEU 3 Ca -0.37 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1oqw h LEU 3 Cb 1.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1oqw h LEU 3 CO 0.64 0.46 -0.18 0.40 0.09 0.00 0.00 178.44 179.85 1oqw h ILE 4 N 0.09 1.32 0.00 1.22 2.04 -1.99 -0.64 117.51 119.55 1oqw h ILE 4 Ca 0.01 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1oqw h ILE 4 Cb 0.69 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1oqw h ILE 4 CO 0.05 0.40 -0.16 -0.33 0.00 0.00 0.00 178.15 178.12 1oqw h GLU 5 N 0.17 0.00 0.07 2.37 5.08 -1.95 -2.19 114.58 118.13 1oqw h GLU 5 Ca 0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 1oqw h GLU 5 Cb 0.71 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.98 1oqw h GLU 5 CO 0.05 0.16 -0.79 1.25 -1.00 0.00 0.00 179.01 178.68 1oqw h LEU 6 N 0.00 0.58 -1.07 1.33 5.85 -1.15 -2.88 115.31 117.96 1oqw h LEU 6 Ca -0.00 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 57.87 1oqw h LEU 6 Cb 0.40 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1oqw h LEU 6 CO 0.02 1.35 0.47 0.24 -0.34 0.00 0.00 178.44 180.18 1oqw h MET 7 N -0.12 1.11 -0.35 1.25 2.86 -0.77 -1.41 114.93 117.50 1oqw h MET 7 Ca -0.12 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 1oqw h MET 7 Cb 1.53 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 1oqw h MET 7 CO 0.15 0.79 -0.15 0.97 1.06 0.00 0.00 176.91 179.74 1oqw h ILE 8 N 1.13 1.29 -0.05 -1.22 2.10 -1.48 -0.32 117.51 118.95 1oqw h ILE 8 Ca 0.29 -1.25 0.02 0.00 1.08 0.00 0.00 64.86 65.00 1oqw h ILE 8 Cb -0.01 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1oqw h ILE 8 CO -0.05 0.41 -0.07 0.58 -1.08 0.00 0.00 178.15 177.94 1oqw h VAL 9 N 0.49 0.81 -0.33 2.19 2.07 -1.24 0.07 116.25 120.31 1oqw h VAL 9 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1oqw h VAL 9 Cb 0.68 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1oqw h VAL 9 CO 0.05 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.28 1oqw h VAL 10 N -0.10 1.16 -0.37 2.57 2.07 -1.21 -2.24 116.25 118.13 1oqw h VAL 10 Ca 0.04 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1oqw h VAL 10 Cb 0.16 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1oqw h VAL 10 CO -0.11 0.21 -0.08 0.00 0.02 0.00 0.00 177.57 177.62 1oqw h ALA 11 N 1.60 0.51 0.09 1.67 0.00 -0.28 -1.35 119.26 121.50 1oqw h ALA 11 Ca 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oqw h ALA 11 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1oqw h ALA 11 CO -0.00 0.35 -0.04 0.82 0.00 0.00 0.00 179.25 180.38 1oqw h ILE 12 N 0.51 1.03 -0.76 0.00 2.04 -0.68 -2.26 117.51 117.39 1oqw h ILE 12 Ca 0.10 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1oqw h ILE 12 Cb 0.58 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1oqw h ILE 12 CO 0.03 0.10 0.47 0.40 0.00 0.00 0.00 178.15 179.16 1oqw h ILE 13 N -0.31 1.21 -0.01 -0.67 2.04 -1.45 -1.91 117.51 116.41 1oqw h ILE 13 Ca -0.01 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1oqw h ILE 13 Cb 0.26 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1oqw h ILE 13 CO 0.02 0.21 -0.17 1.23 0.00 0.00 0.00 178.15 179.44 1oqw h GLY 14 N 1.03 0.02 0.41 5.37 0.00 -1.17 -1.77 103.07 106.97 1oqw h GLY 14 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1oqw h GLY 14 CO -0.05 0.01 -0.37 -2.22 0.00 0.00 0.00 176.54 173.91 1oqw h ILE 15 N 0.02 1.60 -0.25 2.60 2.04 -0.91 -1.76 117.51 120.85 1oqw h ILE 15 Ca 0.00 -2.24 -0.00 0.00 1.00 0.00 0.00 64.86 63.62 1oqw h ILE 15 Cb 0.31 3.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1oqw h ILE 15 CO 0.02 0.61 0.14 -0.07 0.00 0.00 0.00 178.15 178.86 1oqw h LEU 16 N -0.58 0.29 0.12 1.44 3.38 -1.27 -2.38 115.31 116.32 1oqw h LEU 16 Ca -0.06 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.63 1oqw h LEU 16 Cb 1.21 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.92 1oqw h LEU 16 CO 0.07 0.24 -1.14 0.00 0.09 0.00 0.00 178.44 177.70 1oqw h ALA 17 N 1.82 -0.02 0.00 1.53 0.00 -1.38 -1.89 119.26 119.32 1oqw h ALA 17 Ca 0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1oqw h ALA 17 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1oqw h ALA 17 CO -0.02 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 1oqw h ALA 18 N 0.26 1.37 0.03 0.00 0.00 -0.91 -0.85 119.26 119.15 1oqw h ALA 18 Ca -0.18 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 1oqw h ALA 18 Cb 1.83 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1oqw h ALA 18 CO 0.22 0.04 -1.52 -0.89 0.00 0.00 0.00 179.25 177.10 1oqw n ILE 19 N -3.66 1.59 -0.10 0.00 5.41 -0.93 -4.45 119.36 117.23 1oqw n ILE 19 Ca -0.03 -0.20 -0.12 0.00 1.00 0.00 0.00 62.75 63.40 1oqw n ILE 19 Cb 0.13 -1.95 -0.04 0.00 -0.71 0.00 0.00 39.64 37.06 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 -0.38 0.41 -0.41 -1.39 0.00 -1.16 -3.26 119.26 113.07 1oqw h ALA 20 Ca -0.39 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.25 1oqw h ALA 20 Cb 1.50 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1oqw h ALA 20 CO -0.15 0.33 0.02 0.82 0.00 0.00 0.00 179.25 180.27 1oqw h ILE 21 N 0.37 0.71 -0.18 0.00 2.04 -1.40 -0.05 117.51 119.01 1oqw h ILE 21 Ca 0.06 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1oqw h ILE 21 Cb 0.71 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1oqw h ILE 21 CO 0.05 0.02 -0.03 -0.65 0.00 0.00 0.00 178.15 177.54 1oqw h PRO 22 N 0.13 0.26 -0.31 2.37 0.11 -1.78 -1.91 132.00 130.88 1oqw h PRO 22 Ca 0.20 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 1oqw h PRO 22 Cb 0.28 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1oqw h PRO 22 CO -0.32 0.32 -0.38 1.96 -0.21 0.00 0.00 178.00 179.37 1oqw h GLN 23 N 0.26 0.80 -0.22 1.05 1.08 -1.31 -1.99 115.11 114.78 1oqw h GLN 23 Ca 0.06 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1oqw h GLN 23 Cb 0.24 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1oqw h GLN 23 CO 0.01 1.08 0.14 -0.92 -0.95 0.00 0.00 178.83 178.19 1oqw h TYR 24 N 0.57 0.28 -0.73 2.96 3.20 -0.69 -0.31 116.97 122.25 1oqw h TYR 24 Ca 0.04 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1oqw h TYR 24 Cb 0.97 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1oqw h TYR 24 CO 0.07 0.18 0.45 1.96 -1.64 0.00 0.00 178.16 179.18 1oqw h GLN 25 N 0.29 0.84 -0.63 1.82 4.20 -1.32 -0.24 115.11 120.07 1oqw h GLN 25 Ca 0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1oqw h GLN 25 Cb -0.03 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 1oqw h GLN 25 CO -0.02 0.55 0.27 -0.91 -0.67 0.00 0.00 178.83 178.06 1oqw h ASN 26 N 0.86 0.85 -0.81 1.46 -0.26 -1.01 -0.94 115.58 115.73 1oqw h ASN 26 Ca 0.30 -0.16 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1oqw h ASN 26 Cb 0.07 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 1oqw h ASN 26 CO -0.13 0.77 0.44 0.22 -1.06 0.00 0.00 177.43 177.67 1oqw h TYR 27 N 0.87 1.13 -0.61 1.19 5.03 -0.26 -1.48 116.97 122.83 1oqw h TYR 27 Ca 0.21 -0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.42 1oqw h TYR 27 Cb 0.17 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 1oqw h TYR 27 CO 0.01 0.79 0.11 0.28 -1.32 0.00 0.00 178.16 178.03 1oqw h VAL 28 N 1.13 1.26 -0.79 1.81 2.07 -0.71 -1.97 116.25 119.05 1oqw h VAL 28 Ca 0.29 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1oqw h VAL 28 Cb 0.05 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1oqw h VAL 28 CO -0.04 0.36 0.43 0.00 0.02 0.00 0.00 177.57 178.34 1oqw h ALA 29 N 1.02 1.01 -0.47 1.67 0.00 -0.72 -0.69 119.26 121.09 1oqw h ALA 29 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1oqw h ALA 29 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1oqw h ALA 29 CO 0.01 0.53 -0.17 0.00 0.00 0.00 0.00 179.25 179.62 1oqw h ARG 30 N 1.10 0.92 -0.41 0.00 3.08 -1.14 -2.76 114.38 115.17 1oqw h ARG 30 Ca 0.28 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1oqw h ARG 30 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1oqw h ARG 30 CO -0.04 1.02 -0.07 0.77 -1.07 0.00 0.00 179.97 180.58 1oqw h SER 31 N 0.81 0.68 -0.52 7.04 0.02 -0.93 -2.50 113.55 118.15 1oqw h SER 31 Ca 0.12 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1oqw h SER 31 Cb 0.72 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1oqw h SER 31 CO 0.06 0.79 0.09 -0.33 -1.14 0.00 0.00 176.83 176.30 1oqw h GLU 32 N 0.65 0.86 -0.56 3.45 5.08 -1.01 -1.97 114.58 121.07 1oqw h GLU 32 Ca 0.12 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1oqw h GLU 32 Cb 0.50 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1oqw h GLU 32 CO 0.03 0.84 0.37 0.78 -1.00 0.00 0.00 179.01 180.03 1oqw h GLY 33 N 0.74 0.79 1.24 -3.84 0.00 -1.26 -1.87 103.07 98.87 1oqw h GLY 33 Ca 0.16 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1oqw h GLY 33 CO 0.01 0.29 0.15 0.00 0.00 0.00 0.00 176.54 176.99 1oqw h ALA 34 N 1.21 1.12 -0.48 3.60 0.00 -1.29 -2.53 119.26 120.88 1oqw h ALA 34 Ca 0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1oqw h ALA 34 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1oqw h ALA 34 CO -0.04 0.59 -0.17 1.03 0.00 0.00 0.00 179.25 180.66 1oqw h SER 35 N 0.91 0.96 -0.24 0.00 0.87 -1.08 -1.10 113.55 113.87 1oqw h SER 35 Ca 0.20 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1oqw h SER 35 Cb 0.32 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1oqw h SER 35 CO -0.00 1.11 0.07 0.00 -0.53 0.00 0.00 176.83 177.47 1oqw h ALA 36 N 0.97 0.31 -0.72 6.23 0.00 -1.17 -2.56 119.26 122.32 1oqw h ALA 36 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1oqw h ALA 36 Cb 0.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1oqw h ALA 36 CO 0.06 -0.05 0.23 1.25 0.00 0.00 0.00 179.25 180.73 1oqw h LEU 37 N 0.21 1.04 -1.96 0.00 5.85 -1.41 -2.87 115.31 116.18 1oqw h LEU 37 Ca 0.08 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1oqw h LEU 37 Cb 0.25 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1oqw h LEU 37 CO -0.00 0.97 -0.08 0.00 -0.34 0.00 0.00 178.44 178.99 1oqw h ALA 38 N 1.11 1.15 0.00 1.25 0.00 -1.07 -1.33 119.26 120.37 1oqw h ALA 38 Ca 0.23 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1oqw h ALA 38 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1oqw h ALA 38 CO -0.01 0.10 -0.61 0.77 0.00 0.00 0.00 179.25 179.49 1oqw h SER 39 N 0.00 0.00 0.00 0.00 0.02 -1.22 -3.37 113.55 108.99 1oqw h SER 39 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1oqw h SER 39 Cb 0.34 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1oqw h SER 39 CO 0.01 0.61 -2.00 1.33 -1.14 0.00 0.00 176.83 175.64 1oqw n VAL 40 N -3.39 0.73 -0.21 2.27 0.24 -1.04 -4.62 118.33 112.31 1oqw n VAL 40 Ca 0.01 -0.59 0.02 0.00 -2.04 0.00 0.00 64.34 61.74 1oqw n VAL 40 Cb 0.72 -0.34 0.12 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.18 0.11 -1.34 -1.24 -1.40 -0.33 115.58 111.19 1oqw h ASN 41 Ca -0.29 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1oqw h ASN 41 Cb 1.59 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 40.88 1oqw h ASN 41 CO 0.02 -0.09 -0.06 -0.65 -1.29 0.00 0.00 177.43 175.36 1oqw h PRO 42 N 0.16 0.00 0.00 6.67 0.11 -1.82 -2.41 132.00 134.72 1oqw h PRO 42 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1oqw h PRO 42 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1oqw h PRO 42 CO -0.52 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 178.61 1oqw n LEU 43 N -4.01 0.52 -0.11 2.35 4.77 -0.14 -2.53 117.00 117.86 1oqw n LEU 43 Ca -0.03 0.64 -0.03 0.00 -0.03 0.00 0.00 56.01 56.56 1oqw n LEU 43 Cb 0.15 -0.58 0.18 0.00 -2.33 0.00 0.00 43.42 40.84 1oqw n LEU 43 CO 0.31 -0.53 0.93 0.11 -1.33 0.00 0.00 177.39 176.88 1oqw h LYS 44 N 0.00 0.79 -0.43 3.23 1.57 -1.49 -2.30 116.57 117.94 1oqw h LYS 44 Ca 0.00 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1oqw h LYS 44 Cb 0.31 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1oqw h LYS 44 CO 0.00 0.76 -0.12 1.15 -0.57 0.00 0.00 179.45 180.67 1oqw h THR 45 N 0.75 1.26 -0.57 -0.16 2.02 -1.69 -1.30 112.91 113.21 1oqw h THR 45 Ca 0.16 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1oqw h THR 45 Cb 0.36 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1oqw h THR 45 CO 0.01 0.40 0.05 0.74 0.37 0.00 0.00 175.52 177.09 1oqw h THR 46 N 0.70 1.25 0.10 3.16 2.02 -1.58 -1.72 112.91 116.84 1oqw h THR 46 Ca 0.12 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1oqw h THR 46 Cb 0.60 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1oqw h THR 46 CO 0.04 0.37 -0.05 0.58 0.37 0.00 0.00 175.52 176.84 1oqw h VAL 47 N 0.88 1.09 -0.86 3.16 2.07 -1.09 -2.86 116.25 118.64 1oqw h VAL 47 Ca 0.17 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1oqw h VAL 47 Cb 0.45 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1oqw h VAL 47 CO 0.02 0.18 0.55 -0.33 0.02 0.00 0.00 177.57 178.00 1oqw h GLU 48 N -0.47 1.01 -0.44 1.57 4.39 -1.16 -2.02 114.58 117.46 1oqw h GLU 48 Ca -0.01 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1oqw h GLU 48 Cb 0.39 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1oqw h GLU 48 CO 0.02 0.67 -0.13 0.93 -1.16 0.00 0.00 179.01 179.34 1oqw h GLU 49 N 1.04 0.80 -0.16 2.33 5.08 -1.35 -0.64 114.58 121.68 1oqw h GLU 49 Ca 0.35 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1oqw h GLU 49 Cb 0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1oqw h GLU 49 CO -0.14 0.89 -0.01 0.00 -1.00 0.00 0.00 179.01 178.76 1oqw h ALA 50 N 1.13 0.22 -0.61 3.43 0.00 -1.25 -3.15 119.26 119.03 1oqw h ALA 50 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1oqw h ALA 50 Cb 0.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1oqw h ALA 50 CO 0.04 -0.06 0.29 -0.07 0.00 0.00 0.00 179.25 179.45 1oqw h LEU 51 N 0.04 0.81 -0.04 0.00 3.38 -1.27 -0.11 115.31 118.11 1oqw h LEU 51 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1oqw h LEU 51 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1oqw h LEU 51 CO 0.01 0.72 0.00 -1.54 0.09 0.00 0.00 178.44 177.72 1oqw n SER 52 N -4.50 0.02 -0.18 -0.43 3.41 -0.26 -1.34 113.62 110.34 1oqw n SER 52 Ca 0.04 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 1oqw n SER 52 Cb 0.13 -0.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1oqw n SER 52 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1oqw n ARG 53 N -1.52 2.21 -1.11 4.33 1.85 -0.97 -4.99 116.66 116.47 1oqw n ARG 53 Ca 0.01 -2.17 -0.04 0.00 -1.00 0.00 0.00 57.85 54.65 1oqw n ARG 53 Cb 0.06 -1.33 -0.02 0.00 -1.05 0.00 0.00 32.46 30.11 1oqw n ARG 53 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1oqw n GLY 54 N -0.84 0.67 3.92 2.89 0.00 -0.45 -5.04 105.19 106.34 1oqw n GLY 54 Ca 0.10 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.07 2.21 0.37 1.61 0.52 -0.09 -5.01 118.94 116.48 1oqw s TRP 55 Ca 0.00 -0.62 0.08 0.00 0.02 0.00 0.00 56.10 55.58 1oqw s TRP 55 Cb 0.00 -2.13 -0.05 0.00 -1.15 0.00 0.00 33.47 30.15 1oqw s TRP 55 CO 0.00 -0.41 0.16 -1.12 0.02 0.00 0.00 176.95 175.60 1oqw s SER 56 N -4.28 4.56 -0.00 2.95 0.01 -0.11 -3.76 113.70 113.07 1oqw s SER 56 Ca 0.47 -0.91 0.08 0.00 1.31 0.00 0.00 55.95 56.90 1oqw s SER 56 Cb -0.04 -0.60 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 1oqw s SER 56 CO 0.28 -0.42 -0.24 0.54 0.41 0.00 0.00 173.24 173.82 1oqw s VAL 57 N -2.51 2.26 0.10 3.43 0.11 -0.78 -0.70 120.40 122.31 1oqw s VAL 57 Ca 0.40 -1.14 0.06 0.00 -2.93 0.00 0.00 61.98 58.36 1oqw s VAL 57 Cb 0.00 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 1oqw s VAL 57 CO 0.23 0.51 -0.14 -1.59 -3.33 0.00 0.00 175.10 170.77 1oqw s LYS 58 N -0.85 0.93 0.75 1.54 -2.85 0.14 -1.71 119.74 117.69 1oqw s LYS 58 Ca 0.11 -1.12 -0.11 0.00 -1.00 0.00 0.00 55.97 53.85 1oqw s LYS 58 Cb -0.10 -0.87 0.04 0.00 -2.06 0.00 0.00 37.83 34.84 1oqw s LYS 58 CO 0.00 0.18 1.10 -1.54 0.10 0.00 0.00 175.35 175.19 1oqw s SER 59 N -2.15 5.03 0.00 0.03 1.04 -1.26 -1.39 113.70 115.00 1oqw s SER 59 Ca 0.04 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1oqw s SER 59 Cb -0.07 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1oqw s SER 59 CO 0.03 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.24 1oqw n GLY 60 N -2.67 -2.30 1.02 7.32 0.00 -1.26 -4.64 105.19 102.66 1oqw n GLY 60 Ca 0.07 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.01 2.36 0.00 2.61 -2.24 -1.26 -1.21 114.28 114.52 1oqw n THR 61 Ca 0.00 -3.36 0.00 0.00 -2.27 0.00 0.00 64.05 58.42 1oqw n THR 61 Cb 0.00 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.04 -0.63 3.73 3.38 0.00 -1.26 -4.98 105.19 104.39 1oqw n GLY 62 Ca 0.27 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 3.38 0.27 2.61 -4.23 -1.26 -4.84 115.64 111.57 1oqw s THR 63 Ca 0.00 -1.70 -0.30 0.00 -1.18 0.00 0.00 61.69 58.52 1oqw s THR 63 Cb 0.00 -3.01 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1oqw s THR 63 CO 0.00 -0.26 1.41 -1.61 -0.54 0.00 0.00 174.62 173.62 1oqw s GLU 64 N -3.80 4.29 -0.39 3.99 2.02 -1.26 -4.70 118.70 118.85 1oqw s GLU 64 Ca 0.35 2.28 -0.03 0.00 0.02 0.00 0.00 54.97 57.59 1oqw s GLU 64 Cb -0.05 -3.10 0.09 0.00 0.10 0.00 0.00 34.13 31.18 1oqw s GLU 64 CO 0.22 -0.37 0.17 0.34 0.02 0.00 0.00 175.26 175.64 1oqw s ASP 65 N 0.18 5.22 0.45 -0.19 -1.08 -0.66 -4.97 116.67 115.62 1oqw s ASP 65 Ca 0.57 -1.82 0.21 0.00 -0.52 0.00 0.00 52.55 51.00 1oqw s ASP 65 Cb -0.41 -1.82 1.09 0.00 -1.46 0.00 0.00 42.92 40.31 1oqw s ASP 65 CO 0.46 -0.48 1.94 0.00 0.52 0.00 0.00 175.17 177.60 1oqw h ALA 66 N 8.07 1.27 -0.08 3.66 0.00 -1.94 0.39 119.26 130.64 1oqw h ALA 66 Ca -0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1oqw h ALA 66 Cb 1.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1oqw h ALA 66 CO 0.67 0.28 -0.11 1.15 0.00 0.00 0.00 179.25 181.25 1oqw h THR 67 N 0.00 1.39 -0.01 0.00 2.02 -1.98 -3.28 112.91 111.05 1oqw h THR 67 Ca -0.00 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1oqw h THR 67 Cb 0.52 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1oqw h THR 67 CO 0.03 0.37 -0.49 0.29 0.37 0.00 0.00 175.52 176.09 1oqw n LYS 68 N -4.65 0.73 -3.41 6.66 5.02 -1.20 -4.99 118.16 116.32 1oqw n LYS 68 Ca -0.07 -0.54 -0.17 0.00 -2.02 0.00 0.00 58.31 55.51 1oqw n LYS 68 Cb 0.34 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.66 -5.23 -5.21 1.97 5.02 0.13 -4.83 118.16 109.35 1oqw n LYS 69 Ca 0.09 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.90 1oqw n LYS 69 Cb 0.39 -5.77 -0.16 0.00 -0.02 0.00 0.00 35.03 29.46 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 -5.17 2.44 -0.11 1.97 2.02 -0.88 -0.94 118.70 118.03 1oqw s GLU 70 Ca 0.13 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 1oqw s GLU 70 Cb -0.02 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1oqw s GLU 70 CO 0.74 0.36 -0.09 0.08 0.02 0.00 0.00 175.26 176.38 1oqw s VAL 71 N -0.14 3.50 0.47 2.63 1.01 0.12 -1.66 120.40 126.33 1oqw s VAL 71 Ca -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1oqw s VAL 71 Cb -0.13 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1oqw s VAL 71 CO 0.03 0.54 0.83 -2.16 0.00 0.00 0.00 175.10 174.35 1oqw s PRO 72 N -0.09 3.69 0.41 2.72 0.04 -1.26 0.27 135.00 140.79 1oqw s PRO 72 Ca 0.00 0.46 0.22 0.00 0.04 0.00 0.00 61.00 61.73 1oqw s PRO 72 Cb -0.13 -2.32 0.70 0.00 0.04 0.00 0.00 34.50 32.78 1oqw s PRO 72 CO 0.03 -0.18 1.73 -0.07 0.04 0.00 0.00 177.00 178.55 1oqw h LEU 73 N 0.69 0.00 0.33 -3.56 3.38 -1.25 -3.46 115.31 111.44 1oqw h LEU 73 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 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 0.63 0.25 -0.08 0.61 0.09 0.00 0.00 178.44 179.93 1oqw n GLY 74 N 0.49 0.50 3.13 0.83 0.00 -0.35 -5.00 105.19 104.78 1oqw n GLY 74 Ca 0.01 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.17 -0.01 0.50 1.61 0.11 -1.20 -4.91 120.40 114.32 1oqw s VAL 75 Ca 0.00 0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 58.88 1oqw s VAL 75 Cb 0.00 -0.39 -0.07 0.00 -1.53 0.00 0.00 36.38 34.39 1oqw s VAL 75 CO 0.00 0.02 1.10 0.00 -3.33 0.00 0.00 175.10 172.89 1oqw s ALA 76 N 0.47 2.84 0.39 1.54 0.00 -1.26 -4.17 121.76 121.56 1oqw s ALA 76 Ca -0.03 0.77 0.14 0.00 0.00 0.00 0.00 51.96 52.84 1oqw s ALA 76 Cb -0.04 -3.32 0.97 0.00 0.00 0.00 0.00 23.12 20.73 1oqw s ALA 76 CO -0.02 -0.55 1.85 0.00 0.00 0.00 0.00 175.76 177.03 1oqw h ALA 77 N 1.60 2.04 -0.45 0.00 0.00 -1.97 -2.42 119.26 118.05 1oqw h ALA 77 Ca -0.50 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1oqw h ALA 77 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1oqw h ALA 77 CO 0.59 -0.32 0.03 -0.40 0.00 0.00 0.00 179.25 179.15 1oqw n ASP 78 N -4.55 4.70 -0.24 0.00 5.75 -1.26 -1.59 116.55 119.36 1oqw n ASP 78 Ca 0.19 -3.05 0.12 0.00 -0.01 0.00 0.00 54.79 52.04 1oqw n ASP 78 Cb 0.62 -0.63 0.40 0.00 -1.03 0.00 0.00 41.12 40.48 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 2.75 1.88 -2.55 2.12 0.00 -1.73 -3.34 119.26 118.40 1oqw h ALA 79 Ca 0.05 0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.24 1oqw h ALA 79 Cb 1.79 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 19.24 1oqw h ALA 79 CO 0.41 -0.11 -0.43 1.21 0.00 0.00 0.00 179.25 180.34 1oqw s ASN 80 N -5.85 5.98 0.00 0.00 3.84 -1.26 -4.96 114.94 112.68 1oqw s ASN 80 Ca -0.09 -1.11 0.00 0.00 0.21 0.00 0.00 52.86 51.87 1oqw s ASN 80 Cb 0.21 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.80 1oqw s ASN 80 CO 0.78 -0.50 0.64 0.29 -2.79 0.00 0.00 177.10 175.52 1oqw n LYS 81 N 5.11 0.00 0.20 0.43 4.76 -1.25 -1.89 118.16 125.51 1oqw n LYS 81 Ca -0.11 0.15 0.07 0.00 -2.87 0.00 0.00 58.31 55.54 1oqw n LYS 81 Cb 0.45 -1.51 0.38 0.00 -1.84 0.00 0.00 35.03 32.52 1oqw n LYS 81 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1oqw h LEU 82 N 0.00 0.00 0.00 -0.35 5.85 -1.91 -3.40 115.31 115.50 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 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1oqw h LEU 82 CO 0.00 0.34 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 1oqw n GLY 83 N 0.10 1.10 3.11 3.75 0.00 -0.79 -0.69 105.19 111.77 1oqw n GLY 83 Ca -0.00 -0.19 -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 -0.57 1.06 -0.12 2.61 -4.23 -0.38 -4.59 115.64 109.41 1oqw s THR 84 Ca 0.00 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1oqw s THR 84 Cb 0.00 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1oqw s THR 84 CO 0.00 0.22 0.15 -0.63 -0.54 0.00 0.00 174.62 173.82 1oqw s ILE 85 N -0.44 5.49 -0.02 2.99 1.01 -0.62 -1.34 121.20 128.27 1oqw s ILE 85 Ca 0.04 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 1oqw s ILE 85 Cb -0.06 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.01 1oqw s ILE 85 CO -0.00 0.61 0.17 0.00 0.00 0.00 0.00 174.94 175.72 1oqw s ALA 86 N -0.96 -0.42 -0.04 9.38 0.00 -0.74 -4.72 121.76 124.25 1oqw s ALA 86 Ca 0.15 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1oqw s ALA 86 Cb -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1oqw s ALA 86 CO 0.04 -0.18 -0.23 -1.17 0.00 0.00 0.00 175.76 174.22 1oqw s LEU 87 N -0.99 2.23 -0.16 0.00 2.96 -1.26 -1.64 118.68 119.82 1oqw s LEU 87 Ca -0.11 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.30 1oqw s LEU 87 Cb -0.06 -1.41 0.06 0.00 0.50 0.00 0.00 46.19 45.29 1oqw s LEU 87 CO 0.02 0.29 0.38 -0.75 -1.32 0.00 0.00 176.35 174.97 1oqw s LYS 88 N -0.45 0.35 0.80 1.98 2.20 -0.89 -4.16 119.74 119.56 1oqw s LYS 88 Ca 0.05 0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 56.33 1oqw s LYS 88 Cb -0.12 -0.00 0.07 0.00 -1.51 0.00 0.00 37.83 36.27 1oqw s LYS 88 CO 0.01 -0.17 1.09 -1.25 -0.36 0.00 0.00 175.35 174.66 1oqw s PRO 89 N 1.55 2.09 -0.20 4.03 0.04 -1.26 -1.13 135.00 140.11 1oqw s PRO 89 Ca -0.08 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1oqw s PRO 89 Cb -0.09 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.61 1oqw s PRO 89 CO -0.12 -1.67 0.03 0.34 0.04 0.00 0.00 177.00 175.62 1oqw s ASP 90 N -3.69 3.06 0.92 6.66 2.15 -1.26 -3.33 116.67 121.18 1oqw s ASP 90 Ca 0.61 -0.90 -0.12 0.00 0.43 0.00 0.00 52.55 52.57 1oqw s ASP 90 Cb -0.16 -0.66 0.15 0.00 -0.30 0.00 0.00 42.92 41.95 1oqw s ASP 90 CO 0.55 -0.31 1.11 -2.16 -0.17 0.00 0.00 175.17 174.20 1oqw s PRO 91 N 1.81 1.03 -0.06 4.34 0.04 -1.26 -5.02 135.00 135.88 1oqw s PRO 91 Ca -0.01 0.45 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1oqw s PRO 91 Cb -0.17 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1oqw s PRO 91 CO -0.09 -2.30 -0.14 0.00 0.04 0.00 0.00 177.00 174.50 1oqw s ALA 92 N -3.14 1.38 -0.76 8.56 0.00 -0.69 -4.96 121.76 122.15 1oqw s ALA 92 Ca 0.64 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1oqw s ALA 92 Cb -0.16 -0.55 0.17 0.00 0.00 0.00 0.00 23.12 22.58 1oqw s ALA 92 CO 0.55 0.18 1.05 -0.40 0.00 0.00 0.00 175.76 177.14 1oqw n ASP 93 N 3.54 2.35 0.00 0.00 5.75 -1.26 -1.86 116.55 125.07 1oqw n ASP 93 Ca -0.21 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1oqw n ASP 93 Cb 0.52 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1oqw n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oqw n GLY 94 N 0.29 0.82 0.64 6.12 0.00 -1.26 -4.90 105.19 106.90 1oqw n GLY 94 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.14 0.18 -3.80 2.61 -2.24 -1.26 -4.85 114.28 102.78 1oqw n THR 95 Ca 0.00 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1oqw n THR 95 Cb 0.00 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.82 -0.43 0.55 6.98 0.00 -1.26 -5.02 121.76 120.77 1oqw s ALA 96 Ca 0.34 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.63 1oqw s ALA 96 Cb 0.19 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 1oqw s ALA 96 CO 0.29 -0.57 1.15 -0.25 0.00 0.00 0.00 175.76 176.37 1oqw n ASP 97 N -0.13 1.68 -4.20 0.00 8.00 -1.26 -4.54 116.55 116.09 1oqw n ASP 97 Ca -0.14 0.91 -0.25 0.00 0.71 0.00 0.00 54.79 56.01 1oqw n ASP 97 Cb 0.63 -1.47 -0.15 0.00 -0.02 0.00 0.00 41.12 40.11 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 -1.38 1.51 0.00 0.53 1.01 -0.67 -4.43 121.20 117.78 1oqw s ILE 98 Ca 0.73 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1oqw s ILE 98 Cb -0.44 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1oqw s ILE 98 CO 0.49 0.33 -0.14 0.42 0.00 0.00 0.00 174.94 176.04 1oqw s THR 99 N -0.57 1.09 -0.18 2.92 -4.23 -0.29 -0.51 115.64 113.86 1oqw s THR 99 Ca 0.07 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1oqw s THR 99 Cb -0.08 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.85 1oqw s THR 99 CO 0.00 0.22 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.35 1oqw s LEU 100 N -0.55 2.17 0.10 4.79 1.43 -0.71 -2.10 118.68 123.81 1oqw s LEU 100 Ca 0.04 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1oqw s LEU 100 Cb -0.06 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1oqw s LEU 100 CO -0.00 -0.02 -0.23 0.42 0.23 0.00 0.00 176.35 176.75 1oqw s THR 101 N 1.29 1.92 -0.19 5.49 -4.23 -0.65 -1.70 115.64 117.57 1oqw s THR 101 Ca 0.04 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1oqw s THR 101 Cb -0.13 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.03 1oqw s THR 101 CO -0.12 0.04 -0.11 0.12 -0.54 0.00 0.00 174.62 174.00 1oqw s PHE 102 N -1.08 2.40 -0.31 3.99 2.19 -0.76 -1.79 117.98 122.62 1oqw s PHE 102 Ca 0.09 -1.56 -0.12 0.00 0.33 0.00 0.00 56.93 55.67 1oqw s PHE 102 Cb -0.10 -1.64 -0.03 0.00 -1.31 0.00 0.00 43.02 39.94 1oqw s PHE 102 CO 0.05 -0.74 0.24 0.99 1.83 0.00 0.00 175.22 177.58 1oqw s THR 103 N 1.40 5.28 -1.53 0.12 2.01 -0.45 -2.02 115.64 120.45 1oqw s THR 103 Ca -0.01 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1oqw s THR 103 Cb -0.16 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1oqw s THR 103 CO -0.08 0.09 2.55 0.23 -0.69 0.00 0.00 174.62 176.72 1oqw n MET 104 N 5.12 3.30 0.19 4.92 0.00 -0.58 -1.25 117.12 128.82 1oqw n MET 104 Ca -0.13 -2.47 0.14 0.00 0.00 0.00 0.00 57.70 55.24 1oqw n MET 104 Cb 0.51 -3.04 0.55 0.00 0.00 0.00 0.00 33.22 31.23 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 8.48 0.00 -1.71 3.03 0.00 -1.85 -0.15 103.07 110.87 1oqw h GLY 105 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1oqw h GLY 105 CO 1.83 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.98 1oqw n GLY 106 N 0.14 3.94 3.93 4.60 0.00 0.13 -4.74 105.19 113.19 1oqw n GLY 106 Ca 0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.77 3.27 1.25 4.61 0.00 -1.18 -4.81 121.76 122.14 1oqw s ALA 107 Ca 0.42 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1oqw s ALA 107 Cb 0.34 -2.54 0.31 0.00 0.00 0.00 0.00 23.12 21.22 1oqw s ALA 107 CO 0.09 -1.12 1.10 0.20 0.00 0.00 0.00 175.76 176.04 1oqw s GLY 108 N -4.46 1.58 0.32 0.00 0.00 -1.26 -4.30 107.32 99.20 1oqw s GLY 108 Ca 0.58 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 44.35 1oqw s GLY 108 CO 0.44 -0.10 1.69 -2.55 0.00 0.00 0.00 173.10 172.57 1oqw h PRO 109 N -2.73 0.39 -0.38 2.90 0.11 -1.98 -0.27 132.00 130.03 1oqw h PRO 109 Ca -0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1oqw h PRO 109 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1oqw h PRO 109 CO 0.30 0.26 -0.02 0.87 -0.21 0.00 0.00 178.00 179.20 1oqw h LYS 110 N 0.40 0.69 -0.01 1.05 1.79 -1.97 -3.34 116.57 115.18 1oqw h LYS 110 Ca 0.64 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1oqw h LYS 110 Cb 1.32 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1oqw h LYS 110 CO -0.56 0.80 -0.48 0.09 -1.08 0.00 0.00 179.45 178.21 1oqw n ASN 111 N -4.44 1.41 -4.70 0.86 5.03 -1.07 -4.83 115.26 107.51 1oqw n ASN 111 Ca -0.01 -1.21 -0.59 0.00 0.87 0.00 0.00 54.58 53.64 1oqw n ASN 111 Cb 0.30 0.63 -0.08 0.00 -1.02 0.00 0.00 39.78 39.61 1oqw n ASN 111 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1oqw n LYS 112 N -0.49 0.91 -0.32 3.52 4.81 -0.14 -0.82 118.16 125.64 1oqw n LYS 112 Ca 0.06 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1oqw n LYS 112 Cb 0.33 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.39 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 4.31 2.04 3.78 3.14 0.00 -0.08 -5.00 105.19 113.39 1oqw n GLY 113 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.11 2.77 -0.04 1.61 -0.14 0.00 -4.65 119.74 119.18 1oqw s LYS 114 Ca 0.00 1.28 0.04 0.00 -1.36 0.00 0.00 55.97 55.93 1oqw s LYS 114 Cb 0.00 -1.95 -0.00 0.00 -1.68 0.00 0.00 37.83 34.19 1oqw s LYS 114 CO 0.00 -1.26 -0.16 0.42 -0.76 0.00 0.00 175.35 173.59 1oqw s ILE 115 N -2.53 1.31 -0.18 2.17 1.01 -1.26 -1.53 121.20 120.19 1oqw s ILE 115 Ca 0.64 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1oqw s ILE 115 Cb -0.19 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1oqw s ILE 115 CO 0.45 0.38 -0.03 -0.63 0.00 0.00 0.00 174.94 175.11 1oqw s ILE 116 N -0.01 3.80 -0.08 2.92 1.01 -0.86 -2.73 121.20 125.26 1oqw s ILE 116 Ca -0.02 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1oqw s ILE 116 Cb -0.10 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 1oqw s ILE 116 CO 0.01 0.46 -0.24 -0.89 0.00 0.00 0.00 174.94 174.29 1oqw s THR 117 N 0.72 2.09 -0.27 2.92 2.01 -0.07 -1.83 115.64 121.22 1oqw s THR 117 Ca -0.01 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1oqw s THR 117 Cb -0.14 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1oqw s THR 117 CO 0.02 0.56 0.01 -0.76 -0.69 0.00 0.00 174.62 173.76 1oqw s LEU 118 N 0.13 3.46 -0.17 4.42 1.43 -0.69 -1.31 118.68 125.95 1oqw s LEU 118 Ca -0.12 -0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1oqw s LEU 118 Cb -0.16 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1oqw s LEU 118 CO 0.07 -0.14 -0.07 -0.89 0.23 0.00 0.00 176.35 175.55 1oqw s THR 119 N 1.42 3.50 -0.32 5.49 2.01 -0.36 -1.73 115.64 125.65 1oqw s THR 119 Ca 0.02 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1oqw s THR 119 Cb -0.17 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.83 1oqw s THR 119 CO -0.01 0.48 0.11 -0.60 -0.69 0.00 0.00 174.62 173.90 1oqw s ARG 120 N 0.69 2.88 -0.10 4.92 3.52 0.33 -1.46 118.95 129.73 1oqw s ARG 120 Ca -0.03 -1.00 -0.30 0.00 -0.13 0.00 0.00 55.73 54.27 1oqw s ARG 120 Cb -0.15 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1oqw s ARG 120 CO 0.02 -0.56 1.10 0.95 -0.81 0.00 0.00 175.30 176.00 1oqw s THR 121 N 1.47 4.54 0.41 4.11 -4.23 -0.83 -1.66 115.64 119.45 1oqw s THR 121 Ca 0.01 1.84 0.08 0.00 -1.18 0.00 0.00 61.69 62.43 1oqw s THR 121 Cb -0.18 -4.18 0.25 0.00 1.34 0.00 0.00 72.50 69.72 1oqw s THR 121 CO 0.03 -0.02 2.04 0.00 -0.54 0.00 0.00 174.62 176.13 1oqw h ALA 122 N 7.32 1.69 -0.24 3.99 0.00 -1.89 0.19 119.26 130.32 1oqw h ALA 122 Ca -0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1oqw h ALA 122 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1oqw h ALA 122 CO 0.88 0.27 0.14 0.00 0.00 0.00 0.00 179.25 180.54 1oqw h ALA 123 N 1.74 0.31 -0.00 0.00 0.00 -1.92 -3.34 119.26 116.05 1oqw h ALA 123 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1oqw h ALA 123 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1oqw h ALA 123 CO -0.02 -0.18 -0.01 -0.40 0.00 0.00 0.00 179.25 178.65 1oqw n ASP 124 N -4.88 1.29 -1.62 0.00 5.68 -1.20 -5.02 116.55 110.80 1oqw n ASP 124 Ca -0.03 -1.14 -0.17 0.00 -0.50 0.00 0.00 54.79 52.95 1oqw n ASP 124 Cb 0.06 0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.04 1oqw n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oqw n GLY 125 N 0.27 0.78 3.85 6.12 0.00 0.67 -4.99 105.19 111.89 1oqw n GLY 125 Ca 0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.41 4.36 -0.08 0.99 1.43 -1.24 -4.85 118.68 114.88 1oqw s LEU 126 Ca 0.00 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1oqw s LEU 126 Cb 0.00 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1oqw s LEU 126 CO 0.00 0.16 0.04 0.26 0.23 0.00 0.00 176.35 177.04 1oqw s TRP 127 N -1.39 3.26 -0.01 0.29 0.52 -1.26 -1.97 118.94 118.38 1oqw s TRP 127 Ca 0.34 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.72 1oqw s TRP 127 Cb -0.15 -1.81 0.01 0.00 -1.15 0.00 0.00 33.47 30.37 1oqw s TRP 127 CO 0.18 0.53 -0.01 0.21 0.02 0.00 0.00 176.95 177.88 1oqw s LYS 128 N -1.02 0.21 -0.19 4.98 2.20 -0.54 -4.96 119.74 120.43 1oqw s LYS 128 Ca 0.15 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.67 1oqw s LYS 128 Cb -0.12 -0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 1oqw s LYS 128 CO 0.04 -0.02 0.07 0.00 -0.36 0.00 0.00 175.35 175.07 1oqw s THR 130 N 0.45 1.08 -0.00 0.00 -4.23 -0.43 -2.25 115.64 110.26 1oqw s THR 130 Ca 0.03 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 58.74 1oqw s THR 130 Cb -0.13 -1.46 0.01 0.00 1.34 0.00 0.00 72.50 72.26 1oqw s THR 130 CO 0.00 -0.54 0.19 -0.55 -0.54 0.00 0.00 174.62 173.19 1oqw s SER 131 N -2.53 -0.04 -0.09 3.99 0.15 0.77 -0.89 113.70 115.06 1oqw s SER 131 Ca 0.08 -0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.77 1oqw s SER 131 Cb -0.03 0.24 0.50 0.00 -1.71 0.00 0.00 66.02 65.02 1oqw s SER 131 CO 0.01 -0.38 1.41 -0.90 1.20 0.00 0.00 173.24 174.58 1oqw n ASP 132 N 1.45 3.75 -4.29 5.45 5.68 -1.10 -4.31 116.55 123.18 1oqw n ASP 132 Ca -0.22 -2.45 -0.29 0.00 -0.50 0.00 0.00 54.79 51.33 1oqw n ASP 132 Cb 0.56 -0.43 0.19 0.00 -1.14 0.00 0.00 41.12 40.30 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 -1.82 0.07 0.28 0.11 -0.21 -1.26 -4.88 119.66 111.95 1oqw s GLN 133 Ca 0.37 0.04 -0.29 0.00 0.02 0.00 0.00 55.36 55.50 1oqw s GLN 133 Cb 0.25 -1.74 -0.10 0.00 1.00 0.00 0.00 33.01 32.42 1oqw s GLN 133 CO 0.16 -2.87 1.38 -0.51 -2.12 0.00 0.00 175.29 171.33 1oqw s ASP 134 N -4.08 6.71 0.35 5.90 -0.00 -1.26 -4.88 116.67 119.40 1oqw s ASP 134 Ca 0.69 2.66 0.15 0.00 -0.00 0.00 0.00 52.55 56.05 1oqw s ASP 134 Cb -0.11 -2.63 1.12 0.00 -0.00 0.00 0.00 42.92 41.29 1oqw s ASP 134 CO 0.55 -0.63 1.66 -0.08 -0.00 0.00 0.00 175.17 176.66 1oqw h GLU 135 N 4.41 0.29 0.00 8.23 4.22 -1.97 0.22 114.58 129.98 1oqw h GLU 135 Ca -0.47 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1oqw h GLU 135 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1oqw h GLU 135 CO 0.73 0.19 0.00 -0.56 -2.18 0.00 0.00 179.01 177.19 1oqw h GLN 136 N 0.30 0.00 -0.36 1.92 3.07 -2.04 -2.71 115.11 115.29 1oqw h GLN 136 Ca 0.74 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.48 1oqw h GLN 136 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.30 1oqw h GLN 136 CO -0.61 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.50 1oqw n PHE 137 N -2.75 0.47 -2.64 0.06 3.72 0.06 -4.94 117.46 111.44 1oqw n PHE 137 Ca -0.00 -0.35 -0.41 0.00 -0.05 0.00 0.00 57.45 56.64 1oqw n PHE 137 Cb 0.18 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.11 4.43 0.64 4.37 1.01 -1.03 -4.66 121.20 124.86 1oqw s ILE 138 Ca 0.29 1.90 -0.18 0.00 0.00 0.00 0.00 60.65 62.66 1oqw s ILE 138 Cb 0.16 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1oqw s ILE 138 CO 0.22 0.23 1.23 -2.84 0.00 0.00 0.00 174.94 173.78 1oqw s PRO 139 N 0.40 2.65 0.18 2.79 0.02 -1.26 -4.94 135.00 134.84 1oqw s PRO 139 Ca 0.51 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 63.07 1oqw s PRO 139 Cb -0.25 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 1oqw s PRO 139 CO 0.30 -1.46 1.57 -1.59 -0.33 0.00 0.00 177.00 175.49 1oqw s LYS 140 N -3.51 4.21 0.00 5.54 -2.85 -1.26 -2.02 119.74 119.85 1oqw s LYS 140 Ca 0.78 2.38 0.00 0.00 -1.00 0.00 0.00 55.97 58.13 1oqw s LYS 140 Cb -0.32 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.31 1oqw s LYS 140 CO 0.38 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1oqw n GLY 141 N 3.62 0.17 3.63 0.59 0.00 -1.26 -5.07 105.19 106.87 1oqw n GLY 141 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.90 -1.07 -0.08 0.00 3.41 -0.95 -4.83 113.62 109.19 1oqw n SER 143 Ca -0.05 -2.54 0.16 0.00 -0.26 0.00 0.00 58.87 56.18 1oqw n SER 143 Cb 0.60 2.01 0.88 0.00 -0.26 0.00 0.00 64.21 67.44 1oqw n SER 143 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42