#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhx n THR 2 N 0.00 0.15 -2.42 1.12 -1.04 -1.26 -4.66 114.28 106.18 1qhx n THR 2 Ca 0.00 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1qhx n THR 2 Cb 0.00 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 1qhx n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1qhx s THR 3 N 1.73 4.13 -0.21 12.58 2.01 -0.32 -4.71 115.64 130.84 1qhx s THR 3 Ca 0.84 1.48 0.13 0.00 0.31 0.00 0.00 61.69 64.45 1qhx s THR 3 Cb -0.74 -3.95 -0.22 0.00 0.01 0.00 0.00 72.50 67.60 1qhx s THR 3 CO 0.44 0.02 -0.01 0.54 -0.69 0.00 0.00 174.62 174.91 1qhx n ARG 4 N 4.98 0.71 -3.85 4.92 5.12 -0.39 -4.91 116.66 123.24 1qhx n ARG 4 Ca 0.11 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 1qhx n ARG 4 Cb 0.46 -1.51 -0.12 0.00 -1.16 0.00 0.00 32.46 30.13 1qhx n ARG 4 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1qhx s MET 5 N -2.49 0.25 -0.16 5.56 1.75 -1.07 -2.42 119.30 120.72 1qhx s MET 5 Ca -0.17 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.26 1qhx s MET 5 Cb 0.07 0.11 0.01 0.00 2.84 0.00 0.00 34.83 37.86 1qhx s MET 5 CO 0.75 -0.05 -0.19 0.42 -0.65 0.00 0.00 175.02 175.31 1qhx s ILE 6 N -0.42 2.29 -0.25 10.11 1.01 0.11 -0.61 121.20 133.45 1qhx s ILE 6 Ca -0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1qhx s ILE 6 Cb -0.03 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.51 1qhx s ILE 6 CO 0.00 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.77 1qhx s ILE 7 N 0.99 2.75 -0.12 2.92 1.01 -0.33 0.09 121.20 128.51 1qhx s ILE 7 Ca -0.02 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 1qhx s ILE 7 Cb -0.15 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1qhx s ILE 7 CO -0.05 0.20 0.17 -0.76 0.00 0.00 0.00 174.94 174.50 1qhx s LEU 8 N 1.30 4.37 -0.04 2.97 1.02 0.20 -0.53 118.68 127.98 1qhx s LEU 8 Ca -0.00 0.49 0.03 0.00 0.02 0.00 0.00 54.13 54.66 1qhx s LEU 8 Cb -0.17 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 43.92 1qhx s LEU 8 CO -0.05 0.37 -0.10 0.21 0.02 0.00 0.00 176.35 176.79 1qhx s ASN 9 N -0.83 1.43 -0.21 2.29 2.47 -0.27 -0.85 114.94 118.96 1qhx s ASN 9 Ca 0.15 -0.23 -0.36 0.00 0.42 0.00 0.00 52.86 52.85 1qhx s ASN 9 Cb -0.12 -0.48 0.14 0.00 -1.45 0.00 0.00 41.25 39.34 1qhx s ASN 9 CO 0.04 0.06 1.26 -0.83 -3.72 0.00 0.00 177.10 173.91 1qhx s GLY 10 N 0.34 -0.28 0.95 1.21 0.00 -1.14 -0.44 107.32 107.97 1qhx s GLY 10 Ca -0.06 1.64 -0.12 0.00 0.00 0.00 0.00 44.72 46.18 1qhx s GLY 10 CO 0.01 0.54 1.10 -0.32 0.00 0.00 0.00 173.10 174.44 1qhx s GLY 11 N -2.17 1.58 0.36 0.20 0.00 -1.26 -4.45 107.32 101.58 1qhx s GLY 11 Ca 0.10 -0.31 -0.28 0.00 0.00 0.00 0.00 44.72 44.23 1qhx s GLY 11 CO -0.04 0.25 1.47 -0.45 0.00 0.00 0.00 173.10 174.33 1qhx s SER 12 N -3.56 6.42 -0.02 1.64 0.15 -1.26 -2.05 113.70 115.02 1qhx s SER 12 Ca 0.64 2.97 0.00 0.00 0.70 0.00 0.00 55.95 60.27 1qhx s SER 12 Cb -0.18 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1qhx s SER 12 CO 0.57 -0.82 0.00 -1.20 1.20 0.00 0.00 173.24 172.99 1qhx n SER 13 N 0.71 -4.30 0.17 5.45 7.64 -1.26 -4.31 113.62 117.72 1qhx n SER 13 Ca 0.02 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.03 1qhx n SER 13 Cb 0.39 -1.81 0.50 0.00 -1.01 0.00 0.00 64.21 62.28 1qhx n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhx h ALA 14 N 0.00 1.00 0.00 -0.43 0.00 -1.76 -3.44 119.26 114.62 1qhx h ALA 14 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qhx h ALA 14 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qhx h ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1qhx n GLY 15 N 0.32 1.18 0.27 0.00 0.00 -1.26 -4.67 105.19 101.02 1qhx n GLY 15 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1qhx n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qhx h LYS 16 N 0.77 -0.42 -0.25 1.61 1.57 -1.90 -2.20 116.57 115.76 1qhx h LYS 16 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1qhx h LYS 16 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1qhx h LYS 16 CO 0.00 -0.28 0.16 0.77 -0.57 0.00 0.00 179.45 179.53 1qhx h SER 17 N -0.43 0.30 -0.31 0.86 0.02 -1.99 0.12 113.55 112.12 1qhx h SER 17 Ca 0.03 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1qhx h SER 17 Cb 0.46 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1qhx h SER 17 CO -0.13 0.22 -0.14 1.23 -1.14 0.00 0.00 176.83 176.87 1qhx h GLY 18 N 0.37 0.71 0.98 -3.77 0.00 -1.94 -1.74 103.07 97.68 1qhx h GLY 18 Ca 0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1qhx h GLY 18 CO -0.02 0.57 0.24 -2.22 0.00 0.00 0.00 176.54 175.12 1qhx h ILE 19 N 0.41 1.21 -0.56 2.60 2.04 -0.68 -1.78 117.51 120.75 1qhx h ILE 19 Ca 0.07 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.34 1qhx h ILE 19 Cb 0.67 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1qhx h ILE 19 CO 0.04 0.24 0.34 0.58 0.00 0.00 0.00 178.15 179.36 1qhx h VAL 20 N 0.74 1.06 0.00 1.67 2.07 -0.65 0.16 116.25 121.29 1qhx h VAL 20 Ca 0.18 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1qhx h VAL 20 Cb 0.16 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1qhx h VAL 20 CO -0.02 0.12 -0.38 0.03 0.02 0.00 0.00 177.57 177.34 1qhx h ARG 21 N 0.67 0.00 -0.24 1.57 3.08 -1.06 -0.91 114.38 117.48 1qhx h ARG 21 Ca 0.23 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 1qhx h ARG 21 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1qhx h ARG 21 CO -0.10 0.38 -0.34 0.00 -1.07 0.00 0.00 179.97 178.84 1qhx h LEU 23 N 0.36 0.83 -1.60 0.00 3.38 -0.33 0.26 115.31 118.20 1qhx h LEU 23 Ca 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qhx h LEU 23 Cb 0.92 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1qhx h LEU 23 CO 0.08 0.66 0.01 1.56 0.09 0.00 0.00 178.44 180.84 1qhx h GLN 24 N 0.92 0.26 0.09 1.13 4.20 -1.12 0.11 115.11 120.71 1qhx h GLN 24 Ca 0.24 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 1qhx h GLN 24 Cb -0.00 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 27.75 1qhx h GLN 24 CO -0.04 0.28 -0.78 1.03 -0.67 0.00 0.00 178.83 178.64 1qhx h SER 25 N 0.26 0.53 0.33 1.46 0.87 -0.97 -3.39 113.55 112.64 1qhx h SER 25 Ca 0.06 -0.87 -0.02 0.00 -1.23 0.00 0.00 61.79 59.73 1qhx h SER 25 Cb 0.16 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1qhx h SER 25 CO 0.00 1.35 -0.16 0.58 -0.53 0.00 0.00 176.83 178.08 1qhx h VAL 26 N -0.22 0.55 -2.30 2.23 2.07 -0.16 -3.44 116.25 114.98 1qhx h VAL 26 Ca -0.12 -0.72 -0.58 0.00 0.82 0.00 0.00 66.70 66.10 1qhx h VAL 26 Cb 1.56 0.84 0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1qhx h VAL 26 CO 0.15 0.11 0.85 0.18 0.02 0.00 0.00 177.57 178.88 1qhx n LEU 27 N -5.10 3.24 -0.26 2.57 4.77 0.36 -4.91 117.00 117.68 1qhx n LEU 27 Ca -0.09 1.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.91 1qhx n LEU 27 Cb 0.27 -1.44 0.06 0.00 -2.33 0.00 0.00 43.42 39.98 1qhx n LEU 27 CO 0.26 -0.21 1.17 1.55 -1.33 0.00 0.00 177.39 178.84 1qhx h PRO 28 N 6.32 0.96 -6.82 3.23 0.13 -1.89 -3.44 132.00 130.50 1qhx h PRO 28 Ca -0.45 -0.06 -0.49 0.00 -0.87 0.00 0.00 66.00 64.13 1qhx h PRO 28 Cb 1.25 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1qhx h PRO 28 CO 0.90 0.64 0.14 -1.21 -0.23 0.00 0.00 178.00 178.24 1qhx s GLU 29 N -6.11 3.92 -0.01 0.86 0.41 -1.26 -5.02 118.70 111.50 1qhx s GLU 29 Ca -0.13 0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 54.76 1qhx s GLU 29 Cb 0.15 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 30.06 1qhx s GLU 29 CO 0.78 0.04 1.39 -1.25 -0.49 0.00 0.00 175.26 175.73 1qhx s PRO 30 N -3.41 4.28 -0.15 0.39 0.04 -1.26 -5.02 135.00 129.87 1qhx s PRO 30 Ca 0.54 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.50 1qhx s PRO 30 Cb -0.10 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1qhx s PRO 30 CO 0.24 -0.58 -0.07 -1.58 0.04 0.00 0.00 177.00 175.05 1qhx s TRP 31 N 2.46 2.94 0.05 0.56 0.52 -1.26 -4.40 118.94 119.80 1qhx s TRP 31 Ca 0.63 -0.50 -0.25 0.00 0.02 0.00 0.00 56.10 56.00 1qhx s TRP 31 Cb -0.31 -1.94 -0.06 0.00 -1.15 0.00 0.00 33.47 30.02 1qhx s TRP 31 CO 0.26 -0.16 0.77 -0.51 0.02 0.00 0.00 176.95 177.33 1qhx s LEU 32 N 0.50 4.46 -0.15 2.99 1.43 0.56 -4.89 118.68 123.58 1qhx s LEU 32 Ca -0.05 1.47 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1qhx s LEU 32 Cb -0.15 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1qhx s LEU 32 CO 0.03 0.02 -0.13 0.00 0.23 0.00 0.00 176.35 176.50 1qhx s ALA 33 N -0.10 2.58 0.06 4.21 0.00 -1.26 0.03 121.76 127.29 1qhx s ALA 33 Ca 0.39 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1qhx s ALA 33 Cb -0.21 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1qhx s ALA 33 CO 0.23 0.05 -0.06 -0.06 0.00 0.00 0.00 175.76 175.92 1qhx s PHE 34 N 0.67 0.66 0.00 0.00 2.99 -0.57 -4.99 117.98 116.75 1qhx s PHE 34 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 56.93 56.19 1qhx s PHE 34 Cb -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 43.02 42.46 1qhx s PHE 34 CO 0.02 -0.14 0.00 0.41 -0.00 0.00 0.00 175.22 175.51 1qhx n GLY 35 N 0.94 1.43 0.35 4.36 0.00 -1.26 -2.29 105.19 108.71 1qhx n GLY 35 Ca -0.19 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.00 1qhx n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qhx h VAL 36 N 0.79 1.00 -0.32 1.61 3.04 -1.83 -1.27 116.25 119.27 1qhx h VAL 36 Ca 0.00 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 1qhx h VAL 36 Cb 0.00 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.16 1qhx h VAL 36 CO 0.00 0.19 0.12 0.44 -1.01 0.00 0.00 177.57 177.30 1qhx h ASP 37 N 1.02 0.46 0.51 3.17 3.32 -1.95 -2.14 116.42 120.80 1qhx h ASP 37 Ca 0.43 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1qhx h ASP 37 Cb 0.29 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1qhx h ASP 37 CO -0.21 0.52 -0.57 0.77 -1.72 0.00 0.00 179.24 178.02 1qhx h SER 38 N 0.37 0.06 0.08 6.45 4.64 -1.85 -1.72 113.55 121.58 1qhx h SER 38 Ca 0.11 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1qhx h SER 38 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1qhx h SER 38 CO -0.01 0.62 -0.04 0.25 -0.87 0.00 0.00 176.83 176.79 1qhx h LEU 39 N 0.04 -0.09 -1.25 5.97 6.46 -1.16 -0.56 115.31 124.72 1qhx h LEU 39 Ca -0.00 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1qhx h LEU 39 Cb 1.02 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 1qhx h LEU 39 CO 0.08 0.28 0.46 0.40 -0.62 0.00 0.00 178.44 179.03 1qhx h ILE 40 N -0.47 1.19 -0.66 4.05 2.04 -1.37 0.12 117.51 122.41 1qhx h ILE 40 Ca -0.01 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1qhx h ILE 40 Cb 0.40 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1qhx h ILE 40 CO 0.02 0.19 0.21 -0.08 0.00 0.00 0.00 178.15 178.49 1qhx h GLU 41 N 0.99 1.00 0.00 2.37 4.57 -1.15 -2.71 114.58 119.64 1qhx h GLU 41 Ca 0.26 -0.19 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1qhx h GLU 41 Cb -0.08 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1qhx h GLU 41 CO -0.05 0.85 -0.41 0.00 -1.18 0.00 0.00 179.01 178.21 1qhx h ALA 42 N 1.27 0.80 -2.28 2.92 0.00 0.32 -3.46 119.26 118.83 1qhx h ALA 42 Ca 0.22 -0.37 -0.48 0.00 0.00 0.00 0.00 54.91 54.27 1qhx h ALA 42 Cb 0.26 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.02 1qhx h ALA 42 CO -0.01 0.51 0.38 -1.64 0.00 0.00 0.00 179.25 178.49 1qhx s MET 43 N -3.20 3.64 0.38 0.00 -1.94 0.28 -4.97 119.30 113.48 1qhx s MET 43 Ca 0.03 1.15 -0.27 0.00 -1.71 0.00 0.00 55.69 54.89 1qhx s MET 43 Cb 0.08 -2.08 -0.11 0.00 2.01 0.00 0.00 34.83 34.73 1qhx s MET 43 CO 0.71 -0.54 1.25 -2.30 -0.01 0.00 0.00 175.02 174.13 1qhx n PRO 44 N -1.63 1.96 -0.15 2.03 -0.02 -1.26 -4.85 135.00 131.08 1qhx n PRO 44 Ca 0.08 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 1qhx n PRO 44 Cb 0.53 -2.32 0.47 0.00 -0.02 0.00 0.00 33.50 32.16 1qhx n PRO 44 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qhx h LEU 45 N 2.25 0.45 -0.97 2.45 5.85 -1.92 -0.46 115.31 122.96 1qhx h LEU 45 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1qhx h LEU 45 Cb 1.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1qhx h LEU 45 CO 0.61 0.25 0.00 2.29 -0.34 0.00 0.00 178.44 181.25 1qhx n LYS 46 N -4.48 0.17 0.28 1.25 2.85 -1.26 -1.84 118.16 115.14 1qhx n LYS 46 Ca 0.12 0.50 0.14 0.00 -1.05 0.00 0.00 58.31 58.02 1qhx n LYS 46 Cb 0.42 -1.90 0.83 0.00 -0.65 0.00 0.00 35.03 33.73 1qhx n LYS 46 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1qhx h MET 47 N 0.00 0.00 -0.02 -1.58 4.05 -1.42 -0.13 114.93 115.84 1qhx h MET 47 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1qhx h MET 47 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1qhx h MET 47 CO 0.00 0.05 0.00 1.04 0.23 0.00 0.00 176.91 178.23 1qhx n GLN 48 N -3.82 1.14 0.00 0.39 6.02 -0.76 -1.63 117.38 118.73 1qhx n GLN 48 Ca -0.03 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1qhx n GLN 48 Cb 0.14 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1qhx n GLN 48 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1qhx n SER 49 N -0.64 0.47 -4.89 1.08 7.64 -0.15 -4.66 113.62 112.46 1qhx n SER 49 Ca 0.18 -1.10 -0.29 0.00 1.01 0.00 0.00 58.87 58.66 1qhx n SER 49 Cb 0.13 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1qhx n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhx s ALA 50 N -0.10 3.15 0.00 -0.43 0.00 -0.63 -5.02 121.76 118.73 1qhx s ALA 50 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1qhx s ALA 50 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1qhx s ALA 50 CO 0.00 -0.74 0.85 0.39 0.00 0.00 0.00 175.76 176.26 1qhx n GLU 51 N -2.68 0.00 -1.57 0.00 -0.58 -1.26 -2.94 120.64 111.62 1qhx n GLU 51 Ca 0.05 0.78 -0.25 0.00 -0.42 0.00 0.00 57.16 57.32 1qhx n GLU 51 Cb 0.56 -1.35 0.07 0.00 -0.57 0.00 0.00 31.44 30.15 1qhx n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qhx n GLY 52 N -0.98 5.94 0.00 0.62 0.00 -1.26 -4.85 105.19 104.67 1qhx n GLY 52 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1qhx n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhx n GLY 53 N -0.86 1.19 3.26 -0.02 0.00 -1.15 -0.44 105.19 107.17 1qhx n GLY 53 Ca 0.49 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1qhx n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qhx s ILE 54 N 2.80 1.82 -0.06 -0.61 2.07 -0.64 0.66 121.20 127.24 1qhx s ILE 54 Ca 0.00 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.23 1qhx s ILE 54 Cb 0.00 -1.51 0.02 0.00 0.13 0.00 0.00 42.46 41.10 1qhx s ILE 54 CO 0.00 0.49 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.79 1qhx s GLU 55 N -0.60 0.83 -0.40 3.50 2.12 -0.26 -4.18 118.70 119.73 1qhx s GLU 55 Ca 0.09 -0.05 -0.15 0.00 0.36 0.00 0.00 54.97 55.22 1qhx s GLU 55 Cb -0.09 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.34 1qhx s GLU 55 CO -0.01 -0.18 0.32 -0.06 -0.54 0.00 0.00 175.26 174.79 1qhx s PHE 56 N 1.38 3.23 0.80 5.30 0.40 -1.26 -1.71 117.98 126.13 1qhx s PHE 56 Ca -0.04 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1qhx s PHE 56 Cb -0.13 -2.63 0.08 0.00 0.51 0.00 0.00 43.02 40.85 1qhx s PHE 56 CO -0.03 -0.56 1.12 -0.51 0.70 0.00 0.00 175.22 175.94 1qhx s ASP 57 N 1.71 4.03 0.31 1.36 -0.00 -0.26 -4.90 116.67 118.92 1qhx s ASP 57 Ca 0.07 1.99 0.26 0.00 -0.00 0.00 0.00 52.55 54.86 1qhx s ASP 57 Cb -0.18 -2.54 1.05 0.00 -0.00 0.00 0.00 42.92 41.24 1qhx s ASP 57 CO 0.11 -2.36 1.77 0.00 -0.00 0.00 0.00 175.17 174.69 1qhx h ALA 58 N -1.21 1.00 -0.68 5.23 0.00 -1.96 -2.66 119.26 118.99 1qhx h ALA 58 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1qhx h ALA 58 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qhx h ALA 58 CO 0.48 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 1qhx n ASP 59 N -2.41 3.76 0.00 0.00 5.68 -1.26 -4.74 116.55 117.58 1qhx n ASP 59 Ca 0.02 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1qhx n ASP 59 Cb 0.25 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1qhx n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qhx n GLY 60 N 1.62 0.66 3.84 6.12 0.00 -1.00 -4.39 105.19 112.03 1qhx n GLY 60 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1qhx n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qhx s GLY 61 N -1.35 1.66 -0.03 -0.02 0.00 -1.26 -4.05 107.32 102.28 1qhx s GLY 61 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1qhx s GLY 61 CO 0.00 0.31 0.00 0.14 0.00 0.00 0.00 173.10 173.55 1qhx s VAL 62 N -3.10 0.15 -0.08 1.40 1.01 -1.26 -1.10 120.40 117.42 1qhx s VAL 62 Ca 0.57 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1qhx s VAL 62 Cb -0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 1qhx s VAL 62 CO 0.55 0.13 -0.21 -0.44 0.00 0.00 0.00 175.10 175.12 1qhx s SER 63 N 0.96 2.73 -0.15 3.32 0.01 -0.69 -4.98 113.70 114.90 1qhx s SER 63 Ca -0.09 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.70 1qhx s SER 63 Cb -0.13 -1.08 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 1qhx s SER 63 CO -0.02 0.15 -0.16 -0.63 0.41 0.00 0.00 173.24 172.99 1qhx s ILE 64 N 0.25 2.58 0.60 1.44 -1.09 -1.26 -1.10 121.20 122.62 1qhx s ILE 64 Ca -0.13 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 57.56 1qhx s ILE 64 Cb -0.16 -2.08 0.09 0.00 -1.58 0.00 0.00 42.46 38.73 1qhx s ILE 64 CO 0.06 0.52 0.82 -0.83 -1.23 0.00 0.00 174.94 174.28 1qhx s GLY 65 N 0.80 1.75 0.39 6.18 0.00 0.21 -4.96 107.32 111.69 1qhx s GLY 65 Ca -0.06 -2.02 0.10 0.00 0.00 0.00 0.00 44.72 42.74 1qhx s GLY 65 CO -0.00 -1.55 1.92 -0.56 0.00 0.00 0.00 173.10 172.91 1qhx h PRO 66 N 0.05 0.24 -0.22 2.90 0.13 -1.78 -2.24 132.00 131.08 1qhx h PRO 66 Ca -0.32 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1qhx h PRO 66 Cb 1.28 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1qhx h PRO 66 CO 0.41 0.37 0.14 0.93 -0.23 0.00 0.00 178.00 179.62 1qhx h GLU 67 N 0.23 0.29 -0.30 0.86 4.39 -1.10 0.14 114.58 119.10 1qhx h GLU 67 Ca 0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1qhx h GLU 67 Cb 0.35 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1qhx h GLU 67 CO 0.02 0.20 0.14 0.35 -1.16 0.00 0.00 179.01 178.56 1qhx h PHE 68 N 0.30 0.45 -0.58 4.33 3.04 -0.93 -3.03 116.94 120.51 1qhx h PHE 68 Ca 0.08 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.01 1qhx h PHE 68 Cb -0.03 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 1qhx h PHE 68 CO -0.06 0.41 0.38 0.00 -2.02 0.00 0.00 178.31 177.02 1qhx h ARG 69 N 0.35 0.76 -0.35 1.11 3.08 -1.08 -1.02 114.38 117.22 1qhx h ARG 69 Ca 0.10 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1qhx h ARG 69 Cb 0.14 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1qhx h ARG 69 CO -0.01 0.50 -0.08 0.00 -1.07 0.00 0.00 179.97 179.31 1qhx h ALA 70 N 1.22 0.25 0.14 0.04 0.00 -0.90 0.83 119.26 120.84 1qhx h ALA 70 Ca 0.22 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1qhx h ALA 70 Cb -0.07 0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qhx h ALA 70 CO -0.05 -0.45 -0.07 -0.07 0.00 0.00 0.00 179.25 178.60 1qhx h LEU 71 N 0.01 -0.16 -0.93 0.00 3.38 -1.38 -2.71 115.31 113.51 1qhx h LEU 71 Ca 0.17 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1qhx h LEU 71 Cb 0.26 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 1qhx h LEU 71 CO -0.35 0.08 0.52 -0.08 0.09 0.00 0.00 178.44 178.70 1qhx h GLU 72 N -0.41 0.66 -0.37 1.13 4.81 -0.83 0.12 114.58 119.68 1qhx h GLU 72 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1qhx h GLU 72 Cb 0.33 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1qhx h GLU 72 CO 0.03 0.44 0.21 0.78 -0.73 0.00 0.00 179.01 179.74 1qhx h GLY 73 N 0.68 0.56 1.24 1.92 0.00 -0.72 0.28 103.07 107.03 1qhx h GLY 73 Ca 0.53 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 1qhx h GLY 73 CO -0.39 0.24 -0.05 0.00 0.00 0.00 0.00 176.54 176.34 1qhx h ALA 74 N 1.07 0.94 -0.75 3.60 0.00 -0.91 -2.19 119.26 121.01 1qhx h ALA 74 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1qhx h ALA 74 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1qhx h ALA 74 CO -0.02 0.63 0.32 2.35 0.00 0.00 0.00 179.25 182.53 1qhx h TRP 75 N 0.83 1.13 -0.47 0.00 7.01 -0.37 -1.80 115.95 122.27 1qhx h TRP 75 Ca 0.15 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1qhx h TRP 75 Cb 0.56 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 1qhx h TRP 75 CO 0.03 0.85 0.24 0.00 -2.79 0.00 0.00 178.44 176.77 1qhx h ALA 76 N 1.16 0.60 -0.31 2.65 0.00 -0.07 -1.09 119.26 122.20 1qhx h ALA 76 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1qhx h ALA 76 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qhx h ALA 76 CO -0.02 0.15 0.13 0.93 0.00 0.00 0.00 179.25 180.44 1qhx h GLU 77 N 0.62 0.42 -0.15 0.00 5.08 -1.15 -1.94 114.58 117.46 1qhx h GLU 77 Ca 0.16 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1qhx h GLU 77 Cb 0.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1qhx h GLU 77 CO -0.02 0.34 -0.03 0.78 -1.00 0.00 0.00 179.01 179.08 1qhx h GLY 78 N 0.55 0.31 1.44 -3.84 0.00 -0.42 -0.65 103.07 100.47 1qhx h GLY 78 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1qhx h GLY 78 CO -0.01 0.23 -0.04 -0.39 0.00 0.00 0.00 176.54 176.33 1qhx h VAL 79 N -0.00 1.23 -0.53 4.60 -1.51 -0.96 -0.71 116.25 118.38 1qhx h VAL 79 Ca 0.04 -0.99 -0.05 0.00 -1.23 0.00 0.00 66.70 64.47 1qhx h VAL 79 Cb 0.45 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 1qhx h VAL 79 CO 0.01 0.34 0.14 0.58 -1.23 0.00 0.00 177.57 177.41 1qhx h VAL 80 N 0.63 1.24 -0.24 7.19 2.07 -1.29 -1.72 116.25 124.14 1qhx h VAL 80 Ca 0.12 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1qhx h VAL 80 Cb 0.46 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1qhx h VAL 80 CO 0.02 0.31 0.03 0.00 0.02 0.00 0.00 177.57 177.95 1qhx h ALA 81 N 1.01 1.62 -0.32 1.67 0.00 -0.52 0.13 119.26 122.85 1qhx h ALA 81 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1qhx h ALA 81 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1qhx h ALA 81 CO -0.00 0.29 0.11 0.52 0.00 0.00 0.00 179.25 180.17 1qhx h MET 82 N 0.34 0.49 -0.30 0.00 2.86 -0.39 -0.32 114.93 117.61 1qhx h MET 82 Ca 0.08 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1qhx h MET 82 Cb 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1qhx h MET 82 CO 0.00 0.51 0.13 0.00 1.06 0.00 0.00 176.91 178.61 1qhx h ALA 83 N 0.95 0.39 -0.68 6.32 0.00 -0.49 -1.34 119.26 124.41 1qhx h ALA 83 Ca 0.10 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1qhx h ALA 83 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1qhx h ALA 83 CO -0.01 -0.02 0.45 -0.09 0.00 0.00 0.00 179.25 179.58 1qhx h ARG 84 N 0.34 0.45 -0.01 0.00 9.65 -0.57 0.23 114.38 124.47 1qhx h ARG 84 Ca 0.10 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1qhx h ARG 84 Cb 0.17 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1qhx h ARG 84 CO -0.01 0.30 0.00 0.00 2.80 0.00 0.00 179.97 183.06 1qhx n ALA 85 N -2.51 2.66 0.00 2.80 0.00 -0.15 -4.89 120.51 118.42 1qhx n ALA 85 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1qhx n ALA 85 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1qhx n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhx n GLY 86 N 0.98 0.69 3.71 0.00 0.00 0.82 -5.06 105.19 106.33 1qhx n GLY 86 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1qhx n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhx s ALA 87 N -2.00 3.43 -0.19 4.61 0.00 -0.58 -4.99 121.76 122.05 1qhx s ALA 87 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 1qhx s ALA 87 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1qhx s ALA 87 CO 0.00 -0.08 1.16 1.03 0.00 0.00 0.00 175.76 177.87 1qhx s ARG 88 N 0.79 4.25 -0.10 0.00 0.52 -1.26 -3.65 118.95 119.50 1qhx s ARG 88 Ca 0.30 1.53 0.01 0.00 -0.52 0.00 0.00 55.73 57.05 1qhx s ARG 88 Cb -0.16 -3.71 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 1qhx s ARG 88 CO 0.13 -0.67 -0.12 0.42 0.02 0.00 0.00 175.30 175.08 1qhx s ILE 89 N 3.34 3.15 -0.16 1.52 -1.09 -1.01 -0.32 121.20 126.61 1qhx s ILE 89 Ca 0.50 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1qhx s ILE 89 Cb -0.19 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1qhx s ILE 89 CO 0.11 0.55 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.65 1qhx s ILE 90 N -0.07 3.30 -0.11 2.92 1.01 0.10 -0.71 121.20 127.64 1qhx s ILE 90 Ca -0.02 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1qhx s ILE 90 Cb -0.14 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1qhx s ILE 90 CO 0.04 0.49 -0.23 -0.63 0.00 0.00 0.00 174.94 174.60 1qhx s ILE 91 N 0.71 2.09 -0.17 2.92 -1.09 0.11 -1.51 121.20 124.25 1qhx s ILE 91 Ca -0.04 -1.00 -0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1qhx s ILE 91 Cb -0.15 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 1qhx s ILE 91 CO 0.02 0.56 -0.15 1.51 -1.23 0.00 0.00 174.94 175.65 1qhx s ASP 92 N 0.50 3.58 0.26 3.58 -4.77 -0.97 0.63 116.67 119.48 1qhx s ASP 92 Ca -0.15 -0.52 0.01 0.00 -3.30 0.00 0.00 52.55 48.60 1qhx s ASP 92 Cb -0.17 -1.56 -0.04 0.00 -1.09 0.00 0.00 42.92 40.05 1qhx s ASP 92 CO 0.05 0.04 0.13 -0.62 0.70 0.00 0.00 175.17 175.47 1qhx s ASP 93 N 1.09 0.99 -0.27 2.11 2.15 -0.03 -2.14 116.67 120.57 1qhx s ASP 93 Ca -0.00 -1.45 0.02 0.00 0.43 0.00 0.00 52.55 51.55 1qhx s ASP 93 Cb -0.14 0.31 0.07 0.00 -0.30 0.00 0.00 42.92 42.86 1qhx s ASP 93 CO -0.05 -0.82 -0.05 -0.69 -0.17 0.00 0.00 175.17 173.39 1qhx s VAL 94 N -3.83 1.90 -1.27 1.11 1.01 -1.26 -2.87 120.40 115.19 1qhx s VAL 94 Ca 0.38 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 1qhx s VAL 94 Cb 0.07 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1qhx s VAL 94 CO 0.15 -0.20 1.99 0.49 0.00 0.00 0.00 175.10 177.52 1qhx n PHE 95 N 4.50 3.54 -0.15 5.22 3.72 -1.26 -4.74 117.46 128.28 1qhx n PHE 95 Ca -0.09 -2.57 0.10 0.00 -0.05 0.00 0.00 57.45 54.84 1qhx n PHE 95 Cb 0.43 -2.46 0.43 0.00 -0.94 0.00 0.00 39.48 36.94 1qhx n PHE 95 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1qhx h LEU 96 N 12.35 0.52 -2.08 4.37 3.38 -1.94 -0.59 115.31 131.33 1qhx h LEU 96 Ca 0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1qhx h LEU 96 Cb 0.75 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1qhx h LEU 96 CO 1.68 0.32 0.00 0.61 0.09 0.00 0.00 178.44 181.14 1qhx n GLY 97 N -1.48 1.89 7.00 0.83 0.00 -1.26 -4.75 105.19 107.42 1qhx n GLY 97 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1qhx n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhx n GLY 98 N 0.51 3.26 0.37 -0.02 0.00 -0.23 -1.97 105.19 107.12 1qhx n GLY 98 Ca 0.14 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1qhx n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhx h ALA 99 N -0.78 1.81 -0.97 4.61 0.00 -1.68 -0.79 119.26 121.46 1qhx h ALA 99 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1qhx h ALA 99 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1qhx h ALA 99 CO 0.00 -0.08 0.63 0.00 0.00 0.00 0.00 179.25 179.80 1qhx h ALA 100 N 1.60 1.42 -0.50 0.00 0.00 -1.73 0.10 119.26 120.15 1qhx h ALA 100 Ca 0.48 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 1qhx h ALA 100 Cb 0.78 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qhx h ALA 100 CO -0.24 0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.32 1qhx h ALA 101 N 1.46 0.81 -0.38 0.00 0.00 -1.19 -1.18 119.26 118.78 1qhx h ALA 101 Ca 0.41 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1qhx h ALA 101 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1qhx h ALA 101 CO -0.15 0.66 -0.21 0.37 0.00 0.00 0.00 179.25 179.92 1qhx h GLN 102 N 0.85 0.74 -0.68 0.00 4.15 -1.04 -2.26 115.11 116.88 1qhx h GLN 102 Ca 0.13 -0.29 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 1qhx h GLN 102 Cb 0.69 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1qhx h GLN 102 CO 0.05 0.89 0.17 1.49 -1.93 0.00 0.00 178.83 179.50 1qhx h GLU 103 N 0.65 1.08 -0.61 1.69 4.57 -0.53 -0.36 114.58 121.07 1qhx h GLU 103 Ca 0.09 -0.26 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1qhx h GLU 103 Cb 0.71 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 1qhx h GLU 103 CO 0.05 0.96 0.39 -0.09 -1.18 0.00 0.00 179.01 179.14 1qhx h ARG 104 N 1.01 0.75 -0.60 1.92 2.43 -0.96 -1.22 114.38 117.72 1qhx h ARG 104 Ca 0.21 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1qhx h ARG 104 Cb 0.36 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1qhx h ARG 104 CO 0.00 0.50 0.11 -1.49 -1.51 0.00 0.00 179.97 177.58 1qhx h TRP 105 N 0.77 1.00 -0.55 2.20 4.06 -0.95 -2.69 115.95 119.79 1qhx h TRP 105 Ca 0.24 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 61.04 1qhx h TRP 105 Cb -0.02 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 27.83 1qhx h TRP 105 CO -0.05 0.85 0.23 0.00 -3.56 0.00 0.00 178.44 175.91 1qhx h ARG 106 N 0.90 0.79 0.00 0.49 3.08 -0.28 -1.49 114.38 117.89 1qhx h ARG 106 Ca 0.19 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1qhx h ARG 106 Cb 0.38 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1qhx h ARG 106 CO 0.01 0.65 -0.10 0.66 -1.07 0.00 0.00 179.97 180.11 1qhx h SER 107 N 0.79 0.00 0.14 7.04 4.64 -0.90 -2.61 113.55 122.64 1qhx h SER 107 Ca 0.19 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.15 1qhx h SER 107 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1qhx h SER 107 CO -0.02 0.10 -1.91 -0.26 -0.87 0.00 0.00 176.83 173.88 1qhx h PHE 108 N 0.00 0.54 0.00 4.77 -1.00 -1.30 -3.38 116.94 116.58 1qhx h PHE 108 Ca -0.00 -0.40 -0.04 0.00 2.81 0.00 0.00 57.97 60.34 1qhx h PHE 108 Cb 0.23 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1qhx h PHE 108 CO 0.00 1.75 -0.19 -0.39 -1.61 0.00 0.00 178.31 177.87 1qhx h VAL 109 N 0.06 0.44 0.00 -0.55 -1.51 -1.23 -3.48 116.25 109.98 1qhx h VAL 109 Ca -0.40 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 1qhx h VAL 109 Cb 2.04 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 33.00 1qhx h VAL 109 CO 0.11 0.19 0.00 0.61 -1.23 0.00 0.00 177.57 177.25 1qhx n GLY 110 N 0.30 3.42 1.32 5.19 0.00 -0.99 -1.26 105.19 113.18 1qhx n GLY 110 Ca 0.01 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1qhx n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qhx n ASP 111 N 4.17 3.87 -4.77 1.61 5.68 -1.26 -4.94 116.55 120.90 1qhx n ASP 111 Ca 0.00 -2.45 -0.41 0.00 -0.50 0.00 0.00 54.79 51.43 1qhx n ASP 111 Cb 0.00 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.43 1qhx n ASP 111 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1qhx s LEU 112 N -1.65 4.34 -0.45 -2.12 2.96 -0.38 -4.90 118.68 116.48 1qhx s LEU 112 Ca 0.38 2.90 -0.28 0.00 -0.22 0.00 0.00 54.13 56.90 1qhx s LEU 112 Cb 0.26 -3.69 0.01 0.00 0.50 0.00 0.00 46.19 43.27 1qhx s LEU 112 CO 0.15 -0.77 1.43 -0.62 -1.32 0.00 0.00 176.35 175.22 1qhx s ASP 113 N -0.31 6.26 0.05 3.68 -1.08 -1.26 -4.99 116.67 119.02 1qhx s ASP 113 Ca 0.52 0.69 0.08 0.00 -0.52 0.00 0.00 52.55 53.32 1qhx s ASP 113 Cb -0.44 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.45 1qhx s ASP 113 CO 0.59 -1.52 -0.20 -0.69 0.52 0.00 0.00 175.17 173.86 1qhx s VAL 114 N 5.68 2.61 -0.36 1.11 1.01 -1.26 -1.26 120.40 127.93 1qhx s VAL 114 Ca 0.60 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1qhx s VAL 114 Cb -0.13 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.22 1qhx s VAL 114 CO 0.31 0.32 0.14 -0.22 0.00 0.00 0.00 175.10 175.65 1qhx s LEU 115 N -1.46 4.60 -0.27 3.92 1.98 0.22 -4.99 118.68 122.68 1qhx s LEU 115 Ca 0.14 -1.36 -0.24 0.00 -2.89 0.00 0.00 54.13 49.78 1qhx s LEU 115 Cb -0.10 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.87 1qhx s LEU 115 CO 0.05 -0.40 0.82 0.26 -1.89 0.00 0.00 176.35 175.19 1qhx s TRP 116 N 1.36 3.26 -0.10 5.38 0.52 -1.26 -1.19 118.94 126.90 1qhx s TRP 116 Ca 0.00 0.99 0.02 0.00 0.02 0.00 0.00 56.10 57.13 1qhx s TRP 116 Cb -0.21 -3.15 -0.02 0.00 -1.15 0.00 0.00 33.47 28.95 1qhx s TRP 116 CO 0.01 -0.49 -0.15 0.08 0.02 0.00 0.00 176.95 176.42 1qhx s VAL 117 N 2.92 2.89 -0.16 4.03 1.01 0.31 0.09 120.40 131.49 1qhx s VAL 117 Ca 0.34 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1qhx s VAL 117 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1qhx s VAL 117 CO 0.10 0.55 0.02 -0.83 0.00 0.00 0.00 175.10 174.94 1qhx s GLY 118 N 0.06 1.85 -0.36 4.51 0.00 -0.27 -1.12 107.32 112.00 1qhx s GLY 118 Ca -0.06 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1qhx s GLY 118 CO 0.05 -0.10 0.08 0.14 0.00 0.00 0.00 173.10 173.27 1qhx s VAL 119 N 0.11 2.47 0.30 1.40 1.01 0.41 -1.41 120.40 124.68 1qhx s VAL 119 Ca 0.03 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.69 1qhx s VAL 119 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1qhx s VAL 119 CO 0.01 -0.62 0.48 -0.13 0.00 0.00 0.00 175.10 174.84 1qhx s ARG 120 N 0.90 3.48 -0.28 2.72 0.52 -0.35 -4.29 118.95 121.65 1qhx s ARG 120 Ca 0.11 -0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 54.65 1qhx s ARG 120 Cb -0.20 -2.75 0.11 0.00 0.52 0.00 0.00 34.95 32.64 1qhx s ARG 120 CO -0.07 0.26 0.94 0.00 0.02 0.00 0.00 175.30 176.45 1qhx n ASP 122 N 2.71 2.37 -0.07 0.00 4.64 -1.26 -4.78 116.55 120.15 1qhx n ASP 122 Ca -0.14 1.14 -0.07 0.00 -1.38 0.00 0.00 54.79 54.33 1qhx n ASP 122 Cb 0.56 -1.36 -0.01 0.00 -1.04 0.00 0.00 41.12 39.27 1qhx n ASP 122 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1qhx h GLY 123 N 4.14 0.01 1.34 0.27 0.00 -1.91 0.81 103.07 107.73 1qhx h GLY 123 Ca -0.45 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1qhx h GLY 123 CO 0.75 -0.18 0.20 0.00 0.00 0.00 0.00 176.54 177.32 1qhx h ALA 124 N 1.02 1.29 -0.38 3.60 0.00 -1.94 -0.71 119.26 122.14 1qhx h ALA 124 Ca 0.15 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1qhx h ALA 124 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qhx h ALA 124 CO -0.37 0.52 -0.09 0.28 0.00 0.00 0.00 179.25 179.59 1qhx h VAL 125 N 0.83 1.28 -0.88 0.00 2.07 -1.77 -2.04 116.25 115.73 1qhx h VAL 125 Ca 0.19 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1qhx h VAL 125 Cb 0.20 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1qhx h VAL 125 CO -0.01 0.39 0.48 0.00 0.02 0.00 0.00 177.57 178.44 1qhx h ALA 126 N 0.83 1.18 -0.77 1.67 0.00 -0.49 -1.81 119.26 119.87 1qhx h ALA 126 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qhx h ALA 126 Cb 0.61 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1qhx h ALA 126 CO 0.04 0.66 0.49 1.49 0.00 0.00 0.00 179.25 181.92 1qhx h GLU 127 N 1.24 1.02 -0.47 0.00 4.81 -0.92 0.07 114.58 120.32 1qhx h GLU 127 Ca 0.31 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1qhx h GLU 127 Cb 0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1qhx h GLU 127 CO -0.05 0.70 0.27 0.78 -0.73 0.00 0.00 179.01 179.98 1qhx h GLY 128 N 1.04 0.69 1.79 1.92 0.00 -0.70 -1.61 103.07 106.21 1qhx h GLY 128 Ca 0.28 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1qhx h GLY 128 CO -0.06 0.29 -0.14 3.21 0.00 0.00 0.00 176.54 179.85 1qhx h ARG 129 N 0.63 0.26 -0.41 4.80 3.08 -0.80 -0.22 114.38 121.71 1qhx h ARG 129 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1qhx h ARG 129 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1qhx h ARG 129 CO -0.03 0.40 0.24 1.49 -1.07 0.00 0.00 179.97 181.00 1qhx h GLU 130 N 0.24 0.57 -0.56 0.04 4.81 -0.31 0.57 114.58 119.94 1qhx h GLU 130 Ca 0.05 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1qhx h GLU 130 Cb 0.39 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1qhx h GLU 130 CO 0.02 0.44 0.07 1.15 -0.73 0.00 0.00 179.01 179.97 1qhx h THR 131 N 0.54 1.26 -0.41 0.32 2.02 -0.57 -2.93 112.91 113.14 1qhx h THR 131 Ca 0.15 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1qhx h THR 131 Cb 0.03 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1qhx h THR 131 CO -0.03 0.36 0.13 0.00 0.37 0.00 0.00 175.52 176.36 1qhx h ALA 132 N 0.99 1.47 0.00 6.16 0.00 -0.57 -1.16 119.26 126.15 1qhx h ALA 132 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qhx h ALA 132 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qhx h ALA 132 CO 0.01 0.40 0.00 -2.13 0.00 0.00 0.00 179.25 177.53 1qhx n ARG 133 N -4.35 0.05 0.00 0.00 0.63 0.15 -4.84 116.66 108.30 1qhx n ARG 133 Ca 0.03 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1qhx n ARG 133 Cb 0.17 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1qhx n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qhx n GLY 134 N -0.74 1.76 0.11 5.14 0.00 -0.44 -4.52 105.19 106.50 1qhx n GLY 134 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1qhx n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qhx n ASP 135 N 3.97 0.70 -4.75 1.61 8.00 -1.26 -4.93 116.55 119.88 1qhx n ASP 135 Ca 0.00 -0.52 -0.41 0.00 0.71 0.00 0.00 54.79 54.58 1qhx n ASP 135 Cb 0.00 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1qhx n ASP 135 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1qhx s ARG 136 N -2.74 4.56 0.17 -1.24 1.81 -1.26 -4.95 118.95 115.31 1qhx s ARG 136 Ca 0.18 1.87 -0.33 0.00 -1.72 0.00 0.00 55.73 55.73 1qhx s ARG 136 Cb 0.19 -3.20 -0.13 0.00 -0.45 0.00 0.00 34.95 31.36 1qhx s ARG 136 CO 0.59 0.08 1.67 0.28 -0.68 0.00 0.00 175.30 177.24 1qhx n VAL 137 N 1.58 0.04 -2.63 3.52 0.31 -1.26 -4.86 118.33 115.03 1qhx n VAL 137 Ca 0.01 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1qhx n VAL 137 Cb 0.44 -1.79 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 1qhx n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qhx s ALA 138 N 1.22 3.36 0.00 3.52 0.00 -1.26 -4.00 121.76 124.60 1qhx s ALA 138 Ca 0.78 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1qhx s ALA 138 Cb -0.59 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1qhx s ALA 138 CO 0.36 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1qhx n GLY 139 N 1.29 2.44 0.05 0.00 0.00 -1.26 -3.50 105.19 104.20 1qhx n GLY 139 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1qhx n GLY 139 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qhx h MET 140 N 0.94 -0.01 -0.37 1.61 -1.53 -1.70 -2.73 114.93 111.14 1qhx h MET 140 Ca 0.00 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.33 1qhx h MET 140 Cb 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 30.99 1qhx h MET 140 CO 0.00 0.22 0.00 0.00 0.14 0.00 0.00 176.91 177.28 1qhx h ALA 141 N 0.75 0.34 -0.40 0.39 0.00 -1.87 -1.26 119.26 117.20 1qhx h ALA 141 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qhx h ALA 141 Cb 0.24 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1qhx h ALA 141 CO 0.00 -0.39 0.18 0.00 0.00 0.00 0.00 179.25 179.04 1qhx h ALA 142 N 1.32 0.52 -0.41 0.00 0.00 -1.77 -1.54 119.26 117.38 1qhx h ALA 142 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qhx h ALA 142 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qhx h ALA 142 CO -0.30 0.11 0.21 0.87 0.00 0.00 0.00 179.25 180.14 1qhx h LYS 143 N 0.51 0.56 0.00 0.00 1.57 -1.11 -3.19 116.57 114.91 1qhx h LYS 143 Ca 0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1qhx h LYS 143 Cb 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1qhx h LYS 143 CO -0.01 0.43 -1.19 1.04 -0.57 0.00 0.00 179.45 179.15 1qhx n GLN 144 N -4.42 0.15 -0.35 3.15 6.02 -0.52 -4.60 117.38 116.81 1qhx n GLN 144 Ca 0.03 -0.04 0.25 0.00 -0.01 0.00 0.00 57.00 57.23 1qhx n GLN 144 Cb 0.11 -1.51 0.52 0.00 1.02 0.00 0.00 30.24 30.38 1qhx n GLN 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qhx h ALA 145 N 2.78 2.27 0.00 -1.58 0.00 -1.27 -3.30 119.26 118.15 1qhx h ALA 145 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1qhx h ALA 145 Cb 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qhx h ALA 145 CO 0.00 -0.74 -1.29 0.66 0.00 0.00 0.00 179.25 177.87 1qhx n TYR 146 N -4.70 0.00 0.14 0.00 4.02 -1.26 -4.70 117.16 110.66 1qhx n TYR 146 Ca 0.28 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.28 1qhx n TYR 146 Cb 0.99 -0.19 0.62 0.00 -0.02 0.00 0.00 39.34 40.73 1qhx n TYR 146 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1qhx h VAL 147 N -0.09 0.94 0.00 -0.72 -1.51 -1.81 -2.26 116.25 110.79 1qhx h VAL 147 Ca -0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1qhx h VAL 147 Cb 1.15 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1qhx h VAL 147 CO -0.05 0.02 0.00 1.33 -1.23 0.00 0.00 177.57 177.64 1qhx n VAL 148 N -4.49 1.22 0.85 7.19 0.24 -1.24 -2.23 118.33 119.87 1qhx n VAL 148 Ca 0.02 0.32 0.09 0.00 -2.04 0.00 0.00 64.34 62.72 1qhx n VAL 148 Cb 0.24 -1.15 -0.10 0.00 -1.47 0.00 0.00 33.84 31.35 1qhx n VAL 148 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1qhx n HIS 149 N -1.59 0.00 -1.64 6.34 8.25 -0.85 -4.47 115.22 121.25 1qhx n HIS 149 Ca 0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.03 1qhx n HIS 149 Cb 0.13 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 1qhx n HIS 149 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1qhx n GLU 150 N -1.44 2.30 -0.99 -0.41 1.02 -0.95 -1.55 120.64 118.62 1qhx n GLU 150 Ca 0.03 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1qhx n GLU 150 Cb 0.29 -2.89 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 1qhx n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qhx n GLY 151 N 4.91 0.33 3.78 0.62 0.00 -1.26 -2.33 105.19 111.23 1qhx n GLY 151 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1qhx n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhx s VAL 152 N -1.68 4.91 -0.20 1.61 1.01 -0.60 -4.45 120.40 121.00 1qhx s VAL 152 Ca 0.00 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 1qhx s VAL 152 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1qhx s VAL 152 CO 0.00 0.45 0.08 -1.61 0.00 0.00 0.00 175.10 174.03 1qhx s GLU 153 N -0.39 3.96 0.26 2.72 2.02 -1.26 -5.06 118.70 120.95 1qhx s GLU 153 Ca 0.29 -0.34 0.11 0.00 0.02 0.00 0.00 54.97 55.05 1qhx s GLU 153 Cb -0.18 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 1qhx s GLU 153 CO 0.16 0.18 -0.14 0.71 0.02 0.00 0.00 175.26 176.19 1qhx s TYR 154 N 0.64 2.43 -0.13 1.61 1.51 -1.26 -4.91 117.35 117.24 1qhx s TYR 154 Ca 0.04 -0.30 0.13 0.00 -1.01 0.00 0.00 57.07 55.94 1qhx s TYR 154 Cb -0.13 -1.09 -0.24 0.00 -0.11 0.00 0.00 41.96 40.40 1qhx s TYR 154 CO 0.01 0.65 0.33 -0.25 -1.11 0.00 0.00 175.55 175.18 1qhx n ASP 155 N -0.53 0.63 -3.86 2.29 8.00 0.11 -4.93 116.55 118.25 1qhx n ASP 155 Ca -0.07 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 1qhx n ASP 155 Cb 0.59 0.34 -0.12 0.00 -0.02 0.00 0.00 41.12 41.90 1qhx n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qhx s VAL 156 N -2.54 0.03 -0.05 2.53 1.01 -0.97 -5.03 120.40 115.37 1qhx s VAL 156 Ca -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1qhx s VAL 156 Cb 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1qhx s VAL 156 CO 0.81 -0.13 -0.12 -1.61 0.00 0.00 0.00 175.10 174.05 1qhx s GLU 157 N -0.38 1.58 0.09 2.72 2.02 -1.26 -1.11 118.70 122.35 1qhx s GLU 157 Ca -0.04 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.60 1qhx s GLU 157 Cb -0.03 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 1qhx s GLU 157 CO 0.00 0.08 -0.19 0.14 0.02 0.00 0.00 175.26 175.31 1qhx s VAL 158 N 0.48 1.57 -0.19 2.63 -7.23 -0.50 -4.97 120.40 112.19 1qhx s VAL 158 Ca -0.11 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1qhx s VAL 158 Cb -0.14 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.42 1qhx s VAL 158 CO 0.03 -0.06 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.05 1qhx s ASP 159 N -1.75 3.18 0.00 4.85 -1.08 -1.26 -1.22 116.67 119.39 1qhx s ASP 159 Ca 0.05 -0.80 0.29 0.00 -0.52 0.00 0.00 52.55 51.57 1qhx s ASP 159 Cb -0.10 -1.13 1.62 0.00 -1.46 0.00 0.00 42.92 41.86 1qhx s ASP 159 CO 0.03 -0.15 2.06 0.35 0.52 0.00 0.00 175.17 177.98 1qhx n THR 160 N 4.75 0.01 -0.36 1.71 -2.24 -0.43 -3.73 114.28 113.98 1qhx n THR 160 Ca -0.14 -0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1qhx n THR 160 Cb 0.47 -0.30 0.20 0.00 -2.10 0.00 0.00 70.33 68.60 1qhx n THR 160 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1qhx h THR 161 N 0.40 1.01 0.00 4.28 2.02 -1.92 -3.22 112.91 115.49 1qhx h THR 161 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1qhx h THR 161 Cb 0.09 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1qhx h THR 161 CO 0.00 0.20 -0.26 1.41 0.37 0.00 0.00 175.52 177.24 1qhx n HIS 162 N -4.56 0.00 -4.56 3.16 8.25 -1.26 -5.01 115.22 111.24 1qhx n HIS 162 Ca 0.17 -0.38 -0.23 0.00 -0.26 0.00 0.00 57.72 57.02 1qhx n HIS 162 Cb 0.25 -0.08 -0.16 0.00 1.12 0.00 0.00 29.99 31.13 1qhx n HIS 162 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1qhx s LYS 163 N -1.07 1.27 0.76 -0.41 1.02 -1.22 -5.14 119.74 114.96 1qhx s LYS 163 Ca 0.11 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.57 1qhx s LYS 163 Cb 0.10 -1.15 0.05 0.00 -0.52 0.00 0.00 37.83 36.32 1qhx s LYS 163 CO 0.01 0.16 1.11 -1.21 -0.92 0.00 0.00 175.35 174.50 1qhx s GLU 164 N 0.13 2.23 0.16 1.68 0.41 -1.26 -4.51 118.70 117.54 1qhx s GLU 164 Ca -0.03 1.30 -0.16 0.00 -0.41 0.00 0.00 54.97 55.67 1qhx s GLU 164 Cb -0.10 -1.89 0.06 0.00 -1.78 0.00 0.00 34.13 30.43 1qhx s GLU 164 CO 0.01 -1.68 1.78 0.77 -0.49 0.00 0.00 175.26 175.64 1qhx h SER 165 N -0.90 0.27 -0.60 -0.19 0.02 -1.94 -1.60 113.55 108.62 1qhx h SER 165 Ca -0.44 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1qhx h SER 165 Cb 1.24 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1qhx h SER 165 CO 0.51 0.20 0.40 -0.29 -1.14 0.00 0.00 176.83 176.50 1qhx h ILE 166 N 0.39 1.11 -0.45 3.27 6.09 -1.92 0.02 117.51 126.01 1qhx h ILE 166 Ca 0.17 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 63.30 1qhx h ILE 166 Cb 0.08 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 1qhx h ILE 166 CO -0.12 0.14 -0.11 -0.33 -3.07 0.00 0.00 178.15 174.65 1qhx h GLU 167 N 0.75 0.87 -0.20 2.19 5.08 -1.72 -1.57 114.58 119.98 1qhx h GLU 167 Ca 0.23 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1qhx h GLU 167 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1qhx h GLU 167 CO -0.06 0.97 -0.25 0.00 -1.00 0.00 0.00 179.01 178.68 1qhx h ALA 169 N 1.41 1.02 -0.47 0.00 0.00 -0.66 -0.62 119.26 119.93 1qhx h ALA 169 Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1qhx h ALA 169 Cb 0.62 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1qhx h ALA 169 CO 0.04 0.63 0.09 -1.49 0.00 0.00 0.00 179.25 178.53 1qhx h TRP 170 N 0.97 0.81 -0.54 0.00 6.55 -0.79 0.14 115.95 123.08 1qhx h TRP 170 Ca 0.20 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 1qhx h TRP 170 Cb 0.38 -0.23 -0.03 0.00 -0.86 0.00 0.00 29.16 28.43 1qhx h TRP 170 CO 0.03 0.75 0.31 0.00 -1.05 0.00 0.00 178.44 178.47 1qhx h ALA 171 N 0.96 0.69 -0.19 1.49 0.00 -1.05 -2.53 119.26 118.65 1qhx h ALA 171 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1qhx h ALA 171 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qhx h ALA 171 CO 0.01 0.20 -0.07 0.82 0.00 0.00 0.00 179.25 180.21 1qhx h ILE 172 N 0.73 1.30 -0.55 0.00 2.04 -0.93 -3.08 117.51 117.02 1qhx h ILE 172 Ca 0.19 -1.09 0.14 0.00 1.00 0.00 0.00 64.86 65.11 1qhx h ILE 172 Cb 0.03 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1qhx h ILE 172 CO -0.03 0.33 0.39 0.00 0.00 0.00 0.00 178.15 178.83 1qhx h ALA 173 N 0.71 2.37 0.00 1.87 0.00 -0.59 -0.25 119.26 123.36 1qhx h ALA 173 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qhx h ALA 173 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qhx h ALA 173 CO 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1qhx h ALA 174 N 1.73 1.00 -0.28 0.00 0.00 -1.36 -2.11 119.26 118.25 1qhx h ALA 174 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qhx h ALA 174 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qhx h ALA 174 CO -0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1qhx n HIS 175 N -3.06 0.34 -3.03 0.00 8.25 -0.11 -4.87 115.22 112.74 1qhx n HIS 175 Ca -0.01 -0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 1qhx n HIS 175 Cb 0.23 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 1qhx n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qhx s VAL 176 N -1.66 4.81 -0.24 1.59 1.01 -0.79 -5.02 120.40 120.11 1qhx s VAL 176 Ca 0.36 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.84 1qhx s VAL 176 Cb 0.21 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1qhx s VAL 176 CO 0.31 -0.36 0.90 -0.69 0.00 0.00 0.00 175.10 175.26 1qhx s VAL 177 N 2.90 4.78 -2.00 2.92 1.01 -1.26 -4.96 120.40 123.79 1qhx s VAL 177 Ca 0.28 1.73 0.12 0.00 0.00 0.00 0.00 61.98 64.10 1qhx s VAL 177 Cb -0.14 -4.18 0.33 0.00 0.00 0.00 0.00 36.38 32.39 1qhx s VAL 177 CO 0.15 -0.11 1.13 -0.81 0.00 0.00 0.00 175.10 175.47