#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqe n ILE 2 N 0.00 0.00 -3.35 4.25 5.41 -1.26 -4.99 119.36 119.42 1hqe n ILE 2 Ca 0.00 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 1hqe n ILE 2 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 1hqe n ILE 2 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1hqe s SER 3 N -1.00 6.38 0.00 4.38 1.04 -1.26 -4.97 113.70 118.27 1hqe s SER 3 Ca 0.00 0.44 -0.09 0.00 0.48 0.00 0.00 55.95 56.78 1hqe s SER 3 Cb 0.00 -2.24 -0.11 0.00 0.10 0.00 0.00 66.02 63.77 1hqe s SER 3 CO 0.00 -0.16 0.94 -0.81 0.98 0.00 0.00 173.24 174.18 1hqe n PRO 4 N 5.02 0.00 -0.73 4.02 -0.04 -1.26 -4.55 135.00 137.46 1hqe n PRO 4 Ca -0.07 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1hqe n PRO 4 Cb 0.51 -1.85 0.26 0.00 -0.04 0.00 0.00 33.50 32.38 1hqe n PRO 4 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1hqe n ILE 5 N 4.97 2.57 0.00 0.52 2.08 -1.26 -4.50 119.36 123.74 1hqe n ILE 5 Ca 0.14 -2.03 -0.10 0.00 0.56 0.00 0.00 62.75 61.32 1hqe n ILE 5 Cb 0.16 -0.31 -0.14 0.00 -0.75 0.00 0.00 39.64 38.60 1hqe n ILE 5 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1hqe h GLU 6 N 1.86 0.05 -5.88 0.38 4.81 -2.03 -3.46 114.58 110.32 1hqe h GLU 6 Ca 0.15 -0.09 -0.68 0.00 -0.13 0.00 0.00 59.36 58.61 1hqe h GLU 6 Cb 1.80 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 31.09 1hqe h GLU 6 CO 0.44 0.70 -0.58 0.95 -0.73 0.00 0.00 179.01 179.79 1hqe s THR 7 N -2.61 4.67 0.01 0.32 -4.23 -1.26 -5.04 115.64 107.50 1hqe s THR 7 Ca -0.06 -0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.04 1hqe s THR 7 Cb 0.08 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1hqe s THR 7 CO 0.82 0.61 1.08 -0.69 -0.54 0.00 0.00 174.62 175.90 1hqe s VAL 8 N -0.93 4.50 -0.16 2.29 1.01 -1.26 -4.94 120.40 120.90 1hqe s VAL 8 Ca 0.14 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 1hqe s VAL 8 Cb -0.12 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1hqe s VAL 8 CO 0.03 0.12 1.40 -2.16 0.00 0.00 0.00 175.10 174.49 1hqe s PRO 9 N 1.19 4.13 -0.12 2.72 0.04 -1.26 -4.50 135.00 137.21 1hqe s PRO 9 Ca 0.55 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1hqe s PRO 9 Cb -0.24 -3.86 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 1hqe s PRO 9 CO 0.27 -0.86 -0.19 0.08 0.04 0.00 0.00 177.00 176.34 1hqe s VAL 10 N 3.93 2.45 0.37 -0.36 1.01 -1.26 -5.13 120.40 121.40 1hqe s VAL 10 Ca 0.61 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1hqe s VAL 10 Cb -0.24 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1hqe s VAL 10 CO 0.21 0.54 -0.03 -0.54 0.00 0.00 0.00 175.10 175.28 1hqe s LYS 11 N 0.42 1.85 0.52 2.72 -0.14 -1.26 -4.62 119.74 119.22 1hqe s LYS 11 Ca -0.14 -2.00 -0.05 0.00 -1.36 0.00 0.00 55.97 52.41 1hqe s LYS 11 Cb -0.17 -1.55 -0.02 0.00 -1.68 0.00 0.00 37.83 34.41 1hqe s LYS 11 CO 0.06 0.01 0.82 -0.51 -0.76 0.00 0.00 175.35 174.98 1hqe s LEU 12 N -3.63 3.50 0.25 3.17 1.43 -1.26 -3.01 118.68 119.12 1hqe s LEU 12 Ca 0.34 0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 1hqe s LEU 12 Cb 0.07 -3.75 -0.11 0.00 0.03 0.00 0.00 46.19 42.43 1hqe s LEU 12 CO 0.17 -0.74 1.51 -0.54 0.23 0.00 0.00 176.35 176.98 1hqe s LYS 13 N -4.82 4.21 0.04 1.70 1.02 0.48 -4.73 119.74 117.64 1hqe s LYS 13 Ca 0.50 2.41 -0.34 0.00 0.02 0.00 0.00 55.97 58.55 1hqe s LYS 13 Cb -0.10 -3.09 -0.18 0.00 -0.52 0.00 0.00 37.83 33.94 1hqe s LYS 13 CO 0.45 -0.52 0.87 -0.35 -0.92 0.00 0.00 175.35 174.88 1hqe n PRO 14 N 2.51 0.00 0.00 -1.68 -0.04 -1.26 -1.62 135.00 132.91 1hqe n PRO 14 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1hqe n PRO 14 Cb 0.39 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1hqe n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqe n GLY 15 N 1.46 1.63 3.75 0.55 0.00 -1.26 -4.98 105.19 106.34 1hqe n GLY 15 Ca 0.18 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1hqe n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hqe s MET 16 N 0.00 4.39 0.74 1.61 -1.94 -0.64 -5.06 119.30 118.40 1hqe s MET 16 Ca 0.00 2.13 -0.01 0.00 -1.71 0.00 0.00 55.69 56.10 1hqe s MET 16 Cb 0.00 -3.13 0.14 0.00 2.01 0.00 0.00 34.83 33.85 1hqe s MET 16 CO 0.00 -0.20 1.02 0.34 -0.01 0.00 0.00 175.02 176.18 1hqe s ASP 17 N -0.14 4.22 0.47 3.03 2.15 -1.26 -4.63 116.67 120.51 1hqe s ASP 17 Ca 0.52 -0.43 -0.13 0.00 0.43 0.00 0.00 52.55 52.95 1hqe s ASP 17 Cb -0.38 0.12 -0.07 0.00 -0.30 0.00 0.00 42.92 42.29 1hqe s ASP 17 CO 0.45 -1.96 0.89 -0.83 -0.17 0.00 0.00 175.17 173.55 1hqe s GLY 18 N -4.78 1.97 0.29 2.66 0.00 -1.26 -4.99 107.32 101.21 1hqe s GLY 18 Ca 0.68 -0.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.08 1hqe s GLY 18 CO 0.45 0.21 1.33 -1.55 0.00 0.00 0.00 173.10 173.55 1hqe n PRO 19 N -1.56 2.06 -2.44 2.90 -0.04 -1.26 -4.89 135.00 129.76 1hqe n PRO 19 Ca 0.05 0.73 -0.06 0.00 -0.04 0.00 0.00 63.50 64.18 1hqe n PRO 19 Cb 0.54 -2.33 0.05 0.00 -0.04 0.00 0.00 33.50 31.71 1hqe n PRO 19 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1hqe n LYS 20 N 1.24 2.07 -1.52 0.54 5.02 -1.24 -1.03 118.16 123.24 1hqe n LYS 20 Ca 0.08 -3.55 -0.34 0.00 -2.02 0.00 0.00 58.31 52.49 1hqe n LYS 20 Cb 0.34 -1.65 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 1hqe n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqe s VAL 21 N -3.68 2.69 0.25 -0.18 1.01 -0.93 -4.80 120.40 114.75 1hqe s VAL 21 Ca 0.34 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1hqe s VAL 21 Cb 0.35 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1hqe s VAL 21 CO -0.03 -0.20 0.40 -0.54 0.00 0.00 0.00 175.10 174.73 1hqe s LYS 22 N -4.04 3.47 -0.17 2.72 1.02 -1.26 -4.29 119.74 117.19 1hqe s LYS 22 Ca 0.71 -0.55 -0.17 0.00 0.02 0.00 0.00 55.97 55.98 1hqe s LYS 22 Cb -0.25 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1hqe s LYS 22 CO 0.45 0.37 0.43 -1.14 -0.92 0.00 0.00 175.35 174.53 1hqe s GLN 23 N -3.82 4.24 0.32 1.68 2.00 -1.26 -4.61 119.66 118.21 1hqe s GLN 23 Ca 0.36 0.30 -0.12 0.00 -2.00 0.00 0.00 55.36 53.90 1hqe s GLN 23 Cb -0.10 -3.49 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 1hqe s GLN 23 CO 0.31 0.04 0.70 1.67 -0.50 0.00 0.00 175.29 177.50 1hqe s TRP 24 N 1.04 3.41 0.57 1.67 1.48 -1.26 -5.03 118.94 120.81 1hqe s TRP 24 Ca 0.22 1.08 -0.21 0.00 -1.06 0.00 0.00 56.10 56.13 1hqe s TRP 24 Cb -0.15 -2.44 -0.05 0.00 -1.16 0.00 0.00 33.47 29.68 1hqe s TRP 24 CO 0.08 0.09 1.24 -0.35 -4.06 0.00 0.00 176.95 173.95 1hqe n PRO 25 N -0.56 1.40 -4.25 3.25 -0.04 -1.26 -5.00 135.00 128.53 1hqe n PRO 25 Ca 0.02 0.52 -0.21 0.00 -0.04 0.00 0.00 63.50 63.79 1hqe n PRO 25 Cb 0.53 -2.45 -0.12 0.00 -0.04 0.00 0.00 33.50 31.42 1hqe n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hqe s LEU 26 N -3.11 2.27 0.84 1.53 1.43 -1.26 -5.15 118.68 115.23 1hqe s LEU 26 Ca 0.74 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1hqe s LEU 26 Cb -0.42 -0.70 0.09 0.00 0.03 0.00 0.00 46.19 45.19 1hqe s LEU 26 CO 0.48 0.00 1.09 0.42 0.23 0.00 0.00 176.35 178.57 1hqe s THR 27 N -1.17 2.98 0.15 5.49 -4.23 -1.26 -4.71 115.64 112.89 1hqe s THR 27 Ca 0.02 0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.68 1hqe s THR 27 Cb -0.10 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1hqe s THR 27 CO 0.03 -0.42 1.71 -0.08 -0.54 0.00 0.00 174.62 175.32 1hqe h GLU 28 N -1.35 0.09 -1.00 3.99 4.81 -2.01 0.60 114.58 119.71 1hqe h GLU 28 Ca -0.47 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1hqe h GLU 28 Cb 1.26 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 1hqe h GLU 28 CO 0.53 0.06 0.64 1.49 -0.73 0.00 0.00 179.01 180.99 1hqe h GLU 29 N 0.09 1.04 -0.09 1.92 4.57 -1.99 0.75 114.58 120.88 1hqe h GLU 29 Ca 0.15 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1hqe h GLU 29 Cb 0.21 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1hqe h GLU 29 CO -0.26 0.69 -0.13 0.87 -1.18 0.00 0.00 179.01 179.00 1hqe h LYS 30 N 1.08 0.24 -0.22 1.92 1.57 -1.54 -2.42 116.57 117.20 1hqe h LYS 30 Ca 0.47 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1hqe h LYS 30 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1hqe h LYS 30 CO -0.22 0.71 0.07 0.82 -0.57 0.00 0.00 179.45 180.26 1hqe h ILE 31 N -0.21 1.18 -0.35 1.86 2.04 -0.66 -1.84 117.51 119.54 1hqe h ILE 31 Ca 0.01 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1hqe h ILE 31 Cb 0.69 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1hqe h ILE 31 CO 0.03 0.19 -0.29 0.11 0.00 0.00 0.00 178.15 178.18 1hqe h LYS 32 N 0.19 -0.10 -0.99 2.37 6.56 -0.87 0.13 116.57 123.85 1hqe h LYS 32 Ca 0.07 0.01 0.12 0.00 -1.06 0.00 0.00 60.65 59.79 1hqe h LYS 32 Cb 0.22 0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 31.82 1hqe h LYS 32 CO -0.00 -0.07 0.63 0.00 -2.06 0.00 0.00 179.45 177.95 1hqe h ALA 33 N -0.46 1.54 -0.58 3.86 0.00 -1.37 -1.46 119.26 120.79 1hqe h ALA 33 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1hqe h ALA 33 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1hqe h ALA 33 CO -0.39 0.22 0.14 -0.07 0.00 0.00 0.00 179.25 179.15 1hqe h LEU 34 N 0.98 0.84 -0.21 0.00 3.38 -0.21 -0.82 115.31 119.27 1hqe h LEU 34 Ca 0.49 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1hqe h LEU 34 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1hqe h LEU 34 CO -0.25 0.82 0.13 0.58 0.09 0.00 0.00 178.44 179.80 1hqe h VAL 35 N 0.86 1.09 0.40 1.22 2.07 0.25 -1.55 116.25 120.59 1hqe h VAL 35 Ca 0.19 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1hqe h VAL 35 Cb 0.31 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1hqe h VAL 35 CO -0.00 0.09 -0.31 -0.33 0.02 0.00 0.00 177.57 177.04 1hqe h GLU 36 N 0.25 -0.66 -0.97 1.57 3.07 -1.15 -1.27 114.58 115.42 1hqe h GLU 36 Ca 0.08 0.04 0.31 0.00 -0.50 0.00 0.00 59.36 59.29 1hqe h GLU 36 Cb 0.03 0.15 -0.16 0.00 -0.84 0.00 0.00 28.75 27.93 1hqe h GLU 36 CO -0.01 -0.44 0.41 0.82 -1.40 0.00 0.00 179.01 178.39 1hqe h ILE 37 N -0.68 0.20 0.09 3.13 2.04 -1.09 -0.95 117.51 120.24 1hqe h ILE 37 Ca -0.05 -0.06 -0.26 0.00 1.00 0.00 0.00 64.86 65.49 1hqe h ILE 37 Cb 0.57 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1hqe h ILE 37 CO 0.02 0.03 -1.14 0.00 0.00 0.00 0.00 178.15 177.06 1hqe h THR 39 N 0.14 1.22 -0.17 0.00 1.35 0.03 1.59 112.91 117.07 1hqe h THR 39 Ca -0.12 -0.65 -0.09 0.00 -0.55 0.00 0.00 66.41 65.00 1hqe h THR 39 Cb 1.83 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1hqe h THR 39 CO 0.19 0.27 -0.25 -0.33 -0.25 0.00 0.00 175.52 175.15 1hqe h GLU 40 N 0.95 0.47 0.00 4.72 4.39 -1.52 0.59 114.58 124.19 1hqe h GLU 40 Ca 0.23 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1hqe h GLU 40 Cb 0.13 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1hqe h GLU 40 CO -0.03 0.87 -0.04 0.52 -1.16 0.00 0.00 179.01 179.17 1hqe h MET 41 N 0.11 0.00 -0.02 2.33 2.86 -0.76 0.48 114.93 119.92 1hqe h MET 41 Ca 0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1hqe h MET 41 Cb 0.83 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1hqe h MET 41 CO 0.06 0.04 -0.02 1.49 1.06 0.00 0.00 176.91 179.55 1hqe h GLU 42 N 0.00 0.05 -0.51 1.72 4.22 0.28 -0.71 114.58 119.63 1hqe h GLU 42 Ca -0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.37 1hqe h GLU 42 Cb 0.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1hqe h GLU 42 CO 0.01 0.49 0.14 0.87 -2.18 0.00 0.00 179.01 178.34 1hqe h LYS 43 N -0.40 0.81 0.00 1.92 1.57 0.13 -1.29 116.57 119.31 1hqe h LYS 43 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1hqe h LYS 43 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1hqe h LYS 43 CO 0.00 0.77 0.00 0.39 -0.57 0.00 0.00 179.45 180.04 1hqe n GLU 44 N -4.46 0.20 -0.97 3.15 1.02 0.16 -4.81 120.64 114.93 1hqe n GLU 44 Ca 0.02 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1hqe n GLU 44 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1hqe n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hqe n GLY 45 N -0.49 0.35 0.23 0.62 0.00 -0.49 -4.91 105.19 100.49 1hqe n GLY 45 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1hqe n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqe h LYS 46 N 0.78 0.75 -6.25 1.61 1.57 -1.34 -3.44 116.57 110.25 1hqe h LYS 46 Ca 0.00 -0.30 -0.61 0.00 -1.87 0.00 0.00 60.65 57.86 1hqe h LYS 46 Cb 0.34 -0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.47 1hqe h LYS 46 CO 0.00 0.91 -0.77 0.96 -0.57 0.00 0.00 179.45 179.98 1hqe s ILE 47 N -4.72 2.48 -0.03 1.86 -4.36 -1.01 0.88 121.20 116.29 1hqe s ILE 47 Ca -0.13 -2.36 -0.01 0.00 -0.26 0.00 0.00 60.65 57.89 1hqe s ILE 47 Cb 0.10 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.55 1hqe s ILE 47 CO 0.82 -0.37 0.05 -0.44 0.24 0.00 0.00 174.94 175.24 1hqe s SER 48 N -3.42 0.65 0.24 4.36 0.01 0.80 -4.54 113.70 111.81 1hqe s SER 48 Ca 0.29 0.08 -0.31 0.00 1.31 0.00 0.00 55.95 57.32 1hqe s SER 48 Cb -0.05 -0.09 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 1hqe s SER 48 CO 0.15 -0.20 1.41 0.29 0.41 0.00 0.00 173.24 175.30 1hqe n LYS 49 N 4.82 2.06 -4.41 12.44 5.02 -1.26 -1.32 118.16 135.50 1hqe n LYS 49 Ca -0.14 0.73 -0.20 0.00 -2.02 0.00 0.00 58.31 56.68 1hqe n LYS 49 Cb 0.50 -2.39 -0.10 0.00 -0.02 0.00 0.00 35.03 33.01 1hqe n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1hqe s ILE 50 N -0.07 1.37 0.00 -0.18 1.09 -1.07 -4.88 121.20 117.46 1hqe s ILE 50 Ca 0.68 -2.07 0.00 0.00 -1.10 0.00 0.00 60.65 58.16 1hqe s ILE 50 Cb -0.64 -2.52 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 1hqe s ILE 50 CO 0.50 -0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.72 1hqe n GLY 51 N -0.57 1.58 0.15 6.18 0.00 -1.26 -4.55 105.19 106.72 1hqe n GLY 51 Ca -0.05 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1hqe n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqe h PRO 52 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.35 132.00 128.37 1hqe h PRO 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hqe h PRO 52 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1hqe h PRO 52 CO 0.00 0.00 0.02 -0.85 -0.23 0.00 0.00 178.00 176.94 1hqe n GLU 53 N -2.84 0.00 -3.48 0.86 0.00 -1.26 -4.00 120.64 109.92 1hqe n GLU 53 Ca 0.01 0.24 -0.42 0.00 0.00 0.00 0.00 57.16 56.99 1hqe n GLU 53 Cb 0.55 -1.52 -0.08 0.00 0.00 0.00 0.00 31.44 30.39 1hqe n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1hqe s ASN 54 N -2.44 5.86 0.51 -1.84 3.04 -1.26 -4.94 114.94 113.88 1hqe s ASN 54 Ca 0.00 -1.77 0.27 0.00 0.04 0.00 0.00 52.86 51.40 1hqe s ASN 54 Cb 0.00 -2.07 1.40 0.00 -1.54 0.00 0.00 41.25 39.03 1hqe s ASN 54 CO 0.00 -0.71 2.05 -0.65 -3.04 0.00 0.00 177.10 174.75 1hqe h PRO 55 N 8.59 0.00 -7.28 0.43 0.11 -1.93 -3.46 132.00 128.46 1hqe h PRO 55 Ca -0.24 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.36 1hqe h PRO 55 Cb 1.08 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.31 1hqe h PRO 55 CO 0.89 0.13 0.35 0.71 -0.21 0.00 0.00 178.00 179.87 1hqe s TYR 56 N -4.14 2.71 -0.15 0.65 1.51 -1.26 -4.84 117.35 111.82 1hqe s TYR 56 Ca -0.02 1.53 -0.30 0.00 -1.01 0.00 0.00 57.07 57.26 1hqe s TYR 56 Cb 0.13 -3.05 0.12 0.00 -0.11 0.00 0.00 41.96 39.05 1hqe s TYR 56 CO 0.59 -1.62 0.97 1.21 -1.11 0.00 0.00 175.55 175.59 1hqe s ASN 57 N -3.18 -0.40 0.05 2.29 3.84 -0.20 -4.78 114.94 112.57 1hqe s ASN 57 Ca 0.62 0.44 0.01 0.00 0.21 0.00 0.00 52.86 54.15 1hqe s ASN 57 Cb -0.17 0.33 -0.03 0.00 -0.55 0.00 0.00 41.25 40.83 1hqe s ASN 57 CO 0.50 -0.37 -0.06 -0.89 -2.79 0.00 0.00 177.10 173.49 1hqe s THR 58 N -1.10 0.44 0.30 -5.21 2.01 -0.29 -2.20 115.64 109.59 1hqe s THR 58 Ca -0.03 -1.28 -0.14 0.00 0.31 0.00 0.00 61.69 60.56 1hqe s THR 58 Cb -0.00 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 1hqe s THR 58 CO 0.02 -0.57 0.69 -2.84 -0.69 0.00 0.00 174.62 171.24 1hqe s PRO 59 N -2.22 3.96 0.17 4.92 0.02 -1.26 -4.09 135.00 136.51 1hqe s PRO 59 Ca -0.05 0.58 0.07 0.00 0.02 0.00 0.00 61.00 61.62 1hqe s PRO 59 Cb -0.05 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 1hqe s PRO 59 CO -0.02 0.20 -0.14 0.14 -0.33 0.00 0.00 177.00 176.85 1hqe s VAL 60 N -1.93 1.55 0.11 3.83 -7.23 -1.26 -0.72 120.40 114.75 1hqe s VAL 60 Ca 0.52 -2.07 -0.26 0.00 -1.81 0.00 0.00 61.98 58.36 1hqe s VAL 60 Cb -0.11 -1.90 0.08 0.00 0.56 0.00 0.00 36.38 35.02 1hqe s VAL 60 CO 0.18 -0.58 1.05 0.72 -0.31 0.00 0.00 175.10 176.17 1hqe s PHE 61 N -2.83 -0.09 0.29 2.82 -0.12 -0.10 -4.94 117.98 113.01 1hqe s PHE 61 Ca 0.18 -0.17 0.10 0.00 -0.05 0.00 0.00 56.93 56.99 1hqe s PHE 61 Cb -0.01 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1hqe s PHE 61 CO 0.05 -0.70 -0.08 0.00 -0.05 0.00 0.00 175.22 174.45 1hqe s ALA 62 N -2.98 3.01 0.00 1.99 0.00 -1.26 0.15 121.76 122.67 1hqe s ALA 62 Ca 0.14 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1hqe s ALA 62 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1hqe s ALA 62 CO 0.01 0.22 0.00 0.44 0.00 0.00 0.00 175.76 176.43 1hqe n ILE 63 N -0.80 0.00 -3.41 0.00 -5.35 0.60 -4.88 119.36 105.51 1hqe n ILE 63 Ca -0.05 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.04 1hqe n ILE 63 Cb 0.60 -0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 37.80 1hqe n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1hqe s LYS 64 N -1.80 4.04 0.00 6.28 -0.14 -1.26 -4.89 119.74 121.97 1hqe s LYS 64 Ca 0.00 0.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 1hqe s LYS 64 Cb 0.00 -3.63 0.00 0.00 -1.68 0.00 0.00 37.83 32.52 1hqe s LYS 64 CO 0.00 -0.21 0.00 0.36 -0.76 0.00 0.00 175.35 174.74 1hqe n LYS 65 N 5.11 0.00 0.00 1.68 2.85 -1.26 -3.63 118.16 122.92 1hqe n LYS 65 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1hqe n LYS 65 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 1hqe n LYS 65 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1hqe n LYS 66 N 0.00 0.00 -0.51 -1.58 4.81 -1.26 -4.55 118.16 115.07 1hqe n LYS 66 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1hqe n LYS 66 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 1hqe n LYS 66 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1hqe n ASP 67 N 0.00 3.28 0.00 3.14 10.43 -1.26 -4.85 116.55 127.30 1hqe n ASP 67 Ca 0.00 -2.62 0.00 0.00 2.57 0.00 0.00 54.79 54.74 1hqe n ASP 67 Cb 0.00 -0.63 0.00 0.00 1.84 0.00 0.00 41.12 42.33 1hqe n ASP 67 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1hqe n SER 68 N -0.04 0.05 -3.18 -2.24 3.41 -1.26 -5.12 113.62 105.23 1hqe n SER 68 Ca 0.22 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.64 1hqe n SER 68 Cb 0.90 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 65.00 1hqe n SER 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1hqe n THR 69 N 0.00 0.00 -1.62 6.66 -1.04 -1.26 -5.01 114.28 112.00 1hqe n THR 69 Ca 0.00 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.05 61.29 1hqe n THR 69 Cb 0.00 -1.32 0.05 0.00 -1.82 0.00 0.00 70.33 67.24 1hqe n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1hqe s LYS 70 N -4.66 2.96 0.11 -2.82 3.01 -1.26 -4.58 119.74 112.49 1hqe s LYS 70 Ca 0.46 0.88 -0.33 0.00 -1.01 0.00 0.00 55.97 55.97 1hqe s LYS 70 Cb -0.03 -2.00 -0.12 0.00 -1.01 0.00 0.00 37.83 34.67 1hqe s LYS 70 CO 0.34 -1.07 1.73 0.91 0.51 0.00 0.00 175.35 177.78 1hqe n TRP 71 N -3.10 2.45 -3.70 3.18 7.02 -1.24 -4.47 117.44 117.58 1hqe n TRP 71 Ca 0.07 0.06 -0.38 0.00 -1.02 0.00 0.00 57.50 56.23 1hqe n TRP 71 Cb 0.54 -2.64 -0.12 0.00 -2.42 0.00 0.00 31.31 26.67 1hqe n TRP 71 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1hqe s ARG 72 N 2.05 2.91 0.30 -0.99 6.06 -1.26 -4.86 118.95 123.17 1hqe s ARG 72 Ca 0.82 -0.99 -0.29 0.00 -2.50 0.00 0.00 55.73 52.76 1hqe s ARG 72 Cb -0.60 -3.52 -0.10 0.00 0.06 0.00 0.00 34.95 30.80 1hqe s ARG 72 CO 0.39 -0.57 1.28 0.21 -2.50 0.00 0.00 175.30 174.12 1hqe s LYS 73 N 1.50 4.40 -0.04 5.12 2.36 -1.26 -0.29 119.74 131.52 1hqe s LYS 73 Ca 0.01 2.14 0.01 0.00 -2.55 0.00 0.00 55.97 55.58 1hqe s LYS 73 Cb -0.18 -3.11 0.02 0.00 -1.05 0.00 0.00 37.83 33.50 1hqe s LYS 73 CO 0.04 -0.15 -0.06 -1.17 1.55 0.00 0.00 175.35 175.56 1hqe s LEU 74 N -1.41 1.48 -0.13 5.43 2.96 0.40 -4.92 118.68 122.48 1hqe s LEU 74 Ca 0.50 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1hqe s LEU 74 Cb -0.38 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 1hqe s LEU 74 CO 0.48 -0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.74 1hqe s VAL 75 N 0.72 3.64 -0.97 1.68 1.01 -1.26 -0.92 120.40 124.30 1hqe s VAL 75 Ca -0.10 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1hqe s VAL 75 Cb -0.13 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.79 1hqe s VAL 75 CO 0.01 0.52 1.26 -0.62 0.00 0.00 0.00 175.10 176.27 1hqe s ASP 76 N 0.12 6.59 -0.00 3.32 2.15 0.10 -4.64 116.67 124.31 1hqe s ASP 76 Ca -0.03 -1.84 0.08 0.00 0.43 0.00 0.00 52.55 51.19 1hqe s ASP 76 Cb -0.14 -2.46 0.25 0.00 -0.30 0.00 0.00 42.92 40.26 1hqe s ASP 76 CO 0.03 -1.22 1.19 0.49 -0.17 0.00 0.00 175.17 175.49 1hqe n PHE 77 N 7.41 0.38 -0.29 -5.34 0.99 -1.26 -4.23 117.46 115.12 1hqe n PHE 77 Ca 0.28 -0.19 0.08 0.00 -0.00 0.00 0.00 57.45 57.62 1hqe n PHE 77 Cb 0.50 -0.01 0.19 0.00 -1.00 0.00 0.00 39.48 39.16 1hqe n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1hqe h ARG 78 N 1.61 0.07 0.26 -1.08 3.08 -1.88 0.63 114.38 117.07 1hqe h ARG 78 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1hqe h ARG 78 Cb 0.39 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1hqe h ARG 78 CO 0.01 0.05 -0.12 1.49 -1.07 0.00 0.00 179.97 180.32 1hqe h GLU 79 N 0.07 -0.34 -0.36 0.04 4.57 -1.99 -1.39 114.58 115.18 1hqe h GLU 79 Ca 0.47 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.73 1hqe h GLU 79 Cb 0.86 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.48 1hqe h GLU 79 CO -0.77 -0.05 0.06 1.25 -1.18 0.00 0.00 179.01 178.32 1hqe h LEU 80 N -0.61 -0.01 -0.74 1.64 5.85 -1.44 -0.02 115.31 119.98 1hqe h LEU 80 Ca -0.04 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1hqe h LEU 80 Cb 0.44 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.46 1hqe h LEU 80 CO 0.06 0.03 0.25 0.78 -0.34 0.00 0.00 178.44 179.22 1hqe h ASN 81 N 0.18 0.18 -0.07 1.25 2.35 0.33 0.73 115.58 120.53 1hqe h ASN 81 Ca 0.17 0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1hqe h ASN 81 Cb 0.21 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1hqe h ASN 81 CO -0.24 0.05 -0.10 0.11 -1.65 0.00 0.00 177.43 175.60 1hqe h LYS 82 N 0.37 0.37 0.00 0.81 1.57 0.09 -2.98 116.57 116.81 1hqe h LYS 82 Ca 0.41 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1hqe h LYS 82 Cb 0.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1hqe h LYS 82 CO -0.44 0.48 -0.37 0.00 -0.57 0.00 0.00 179.45 178.56 1hqe h ARG 83 N 0.35 0.00 -6.54 3.15 3.08 0.17 -3.47 114.38 111.14 1hqe h ARG 83 Ca 0.07 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.60 1hqe h ARG 83 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1hqe h ARG 83 CO 0.02 0.00 0.10 0.99 -1.07 0.00 0.00 179.97 180.01 1hqe s THR 84 N -3.17 4.56 0.41 2.04 2.01 0.10 -0.38 115.64 121.21 1hqe s THR 84 Ca 0.07 1.31 -0.26 0.00 0.31 0.00 0.00 61.69 63.13 1hqe s THR 84 Cb 0.11 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 1hqe s THR 84 CO 0.68 0.27 1.26 0.00 -0.69 0.00 0.00 174.62 176.13 1hqe s GLN 85 N -1.83 3.97 0.30 4.92 1.03 -1.17 -4.69 119.66 122.19 1hqe s GLN 85 Ca 0.41 2.05 -0.25 0.00 0.04 0.00 0.00 55.36 57.61 1hqe s GLN 85 Cb -0.18 -2.71 -0.10 0.00 0.03 0.00 0.00 33.01 30.06 1hqe s GLN 85 CO 0.21 -0.46 0.90 -0.51 -2.54 0.00 0.00 175.29 172.89 1hqe s ASP 86 N -0.88 7.28 -0.45 12.60 1.11 -1.26 -4.96 116.67 130.10 1hqe s ASP 86 Ca 0.57 1.74 -0.21 0.00 0.18 0.00 0.00 52.55 54.84 1hqe s ASP 86 Cb -0.36 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.12 1hqe s ASP 86 CO 0.45 -0.05 0.64 -0.36 1.18 0.00 0.00 175.17 177.04 1hqe s PHE 87 N -1.60 3.06 0.00 4.23 0.40 -1.26 -4.96 117.98 117.85 1hqe s PHE 87 Ca 0.49 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 1hqe s PHE 87 Cb -0.18 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 39.97 1hqe s PHE 87 CO 0.23 -0.90 0.00 -2.67 0.70 0.00 0.00 175.22 172.58 1hqe n TRP 88 N 6.27 0.00 -3.30 0.36 2.14 -1.26 -4.58 117.44 117.08 1hqe n TRP 88 Ca -0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1hqe n TRP 88 Cb 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.98 1hqe n TRP 88 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 1hqe n GLU 89 N 0.00 0.00 0.00 -2.67 -0.00 -1.26 -4.87 120.64 111.83 1hqe n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1hqe n GLU 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1hqe n GLU 89 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1hqe n VAL 90 N 0.00 0.00 0.08 3.84 3.14 -1.26 -4.70 118.33 119.43 1hqe n VAL 90 Ca 0.00 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.48 1hqe n VAL 90 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1hqe n VAL 90 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hqe n GLN 91 N 0.00 0.61 -2.83 1.45 10.64 -1.26 -4.75 117.38 121.24 1hqe n GLN 91 Ca 0.00 0.09 -0.31 0.00 -1.83 0.00 0.00 57.00 54.95 1hqe n GLN 91 Cb 0.00 -1.79 -0.04 0.00 -0.86 0.00 0.00 30.24 27.56 1hqe n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1hqe s LEU 92 N -5.30 3.84 0.00 2.61 2.01 -1.26 -4.00 118.68 116.58 1hqe s LEU 92 Ca -0.02 1.22 0.00 0.00 0.01 0.00 0.00 54.13 55.34 1hqe s LEU 92 Cb 0.10 -4.10 0.00 0.00 0.01 0.00 0.00 46.19 42.20 1hqe s LEU 92 CO 0.81 -0.40 0.00 0.61 1.01 0.00 0.00 176.35 178.38 1hqe n GLY 93 N -1.19 1.44 3.33 -3.19 0.00 -1.26 -4.72 105.19 99.60 1hqe n GLY 93 Ca 0.03 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1hqe n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hqe s ILE 94 N 0.00 4.12 0.00 -0.61 -5.25 -1.26 -5.04 121.20 113.16 1hqe s ILE 94 Ca 0.00 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 58.78 1hqe s ILE 94 Cb 0.00 -3.25 0.00 0.00 2.95 0.00 0.00 42.46 42.16 1hqe s ILE 94 CO 0.00 -0.11 0.00 -0.81 -1.79 0.00 0.00 174.94 172.23 1hqe n PRO 95 N 4.89 0.00 -1.61 0.37 -0.04 -1.26 -4.51 135.00 132.85 1hqe n PRO 95 Ca -0.13 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.85 1hqe n PRO 95 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 1hqe n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hqe n HIS 96 N 0.00 1.64 -2.37 0.54 -0.00 -1.26 -4.94 115.22 108.84 1hqe n HIS 96 Ca 0.00 0.57 -0.37 0.00 -0.00 0.00 0.00 57.72 57.92 1hqe n HIS 96 Cb 0.00 -2.36 -0.03 0.00 -0.00 0.00 0.00 29.99 27.60 1hqe n HIS 96 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1hqe s PRO 97 N -0.04 3.36 0.00 1.57 0.04 -1.26 -4.82 135.00 133.84 1hqe s PRO 97 Ca 0.75 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1hqe s PRO 97 Cb -0.81 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 28.32 1hqe s PRO 97 CO 0.49 -2.96 0.30 0.00 0.04 0.00 0.00 177.00 174.87 1hqe n ALA 98 N 10.88 1.05 0.02 8.56 0.00 -1.26 -0.44 120.51 139.32 1hqe n ALA 98 Ca 0.46 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.99 1hqe n ALA 98 Cb 0.46 -0.70 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 1hqe n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqe n GLY 99 N -0.77 -1.16 0.36 0.00 0.00 -1.26 -4.42 105.19 97.94 1hqe n GLY 99 Ca 0.00 -0.39 0.21 0.00 0.00 0.00 0.00 46.02 45.84 1hqe n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hqe h LEU 100 N 0.00 0.58 -1.68 0.99 5.85 -1.05 0.04 115.31 120.04 1hqe h LEU 100 Ca -0.05 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1hqe h LEU 100 Cb 1.14 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1hqe h LEU 100 CO 0.01 0.05 -0.07 0.07 -0.34 0.00 0.00 178.44 178.16 1hqe h LYS 101 N 0.48 0.00 -0.01 1.25 2.10 -1.77 -3.17 116.57 115.44 1hqe h LYS 101 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 1hqe h LYS 101 Cb 1.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1hqe h LYS 101 CO -0.45 0.07 -0.12 1.63 -2.00 0.00 0.00 179.45 178.58 1hqe n LYS 102 N -3.25 1.44 -2.18 0.07 5.02 0.00 -4.50 118.16 114.75 1hqe n LYS 102 Ca -0.00 -0.93 -0.35 0.00 -2.02 0.00 0.00 58.31 55.01 1hqe n LYS 102 Cb 0.29 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1hqe n LYS 102 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1hqe s ASN 103 N -2.19 5.59 0.31 4.39 0.01 -1.20 -4.84 114.94 117.01 1hqe s ASN 103 Ca 0.31 2.20 0.07 0.00 -0.71 0.00 0.00 52.86 54.73 1hqe s ASN 103 Cb 0.20 -2.58 0.52 0.00 0.41 0.00 0.00 41.25 39.80 1hqe s ASN 103 CO 0.41 -1.31 1.75 0.50 -1.51 0.00 0.00 177.10 176.94 1hqe h LYS 104 N 1.06 0.26 -3.26 -0.60 3.11 -1.64 -3.29 116.57 112.21 1hqe h LYS 104 Ca -0.50 -0.10 -0.14 0.00 -2.81 0.00 0.00 60.65 57.10 1hqe h LYS 104 Cb 1.27 -0.01 -0.22 0.00 -1.00 0.00 0.00 32.23 32.27 1hqe h LYS 104 CO 0.56 0.57 -0.40 -1.12 -2.81 0.00 0.00 179.45 176.25 1hqe s SER 105 N -6.87 -0.12 -0.01 4.20 0.01 -1.02 -4.36 113.70 105.53 1hqe s SER 105 Ca -0.05 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 1hqe s SER 105 Cb 0.14 0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.69 1hqe s SER 105 CO 0.76 -0.33 0.02 -0.69 0.41 0.00 0.00 173.24 173.41 1hqe s VAL 106 N -1.01 -0.03 -0.02 3.43 1.01 0.26 -0.96 120.40 123.08 1hqe s VAL 106 Ca -0.11 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1hqe s VAL 106 Cb -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1hqe s VAL 106 CO 0.02 0.04 -0.23 -0.89 0.00 0.00 0.00 175.10 174.04 1hqe s THR 107 N 0.46 1.83 -0.21 3.92 2.01 0.58 -0.58 115.64 123.64 1hqe s THR 107 Ca -0.04 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 1hqe s THR 107 Cb -0.05 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1hqe s THR 107 CO -0.01 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.72 1hqe s VAL 108 N -0.47 3.59 -0.12 3.82 1.01 -1.20 0.41 120.40 127.45 1hqe s VAL 108 Ca 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1hqe s VAL 108 Cb -0.10 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1hqe s VAL 108 CO -0.00 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.54 1hqe s LEU 109 N 1.33 2.19 0.16 3.92 1.43 -0.78 -1.03 118.68 125.89 1hqe s LEU 109 Ca 0.04 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1hqe s LEU 109 Cb -0.14 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 1hqe s LEU 109 CO -0.01 0.13 1.16 -0.62 0.23 0.00 0.00 176.35 177.24 1hqe s ASP 110 N 0.53 7.15 -0.06 2.29 2.15 -1.26 -1.56 116.67 125.91 1hqe s ASP 110 Ca -0.13 2.13 0.12 0.00 0.43 0.00 0.00 52.55 55.10 1hqe s ASP 110 Cb -0.17 -2.60 0.22 0.00 -0.30 0.00 0.00 42.92 40.08 1hqe s ASP 110 CO 0.05 -0.34 1.10 1.33 -0.17 0.00 0.00 175.17 177.15 1hqe n VAL 111 N 2.75 0.76 0.29 1.11 0.24 -0.07 -4.51 118.33 118.90 1hqe n VAL 111 Ca 0.05 -1.21 0.18 0.00 -2.04 0.00 0.00 64.34 61.31 1hqe n VAL 111 Cb 0.46 0.33 0.87 0.00 -1.47 0.00 0.00 33.84 34.03 1hqe n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1hqe h GLY 112 N 0.36 0.00 1.20 7.63 0.00 -1.90 -1.29 103.07 109.07 1hqe h GLY 112 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1hqe h GLY 112 CO 0.02 0.00 0.36 -0.55 0.00 0.00 0.00 176.54 176.37 1hqe h ASP 113 N 0.00 0.37 0.15 0.19 5.19 -1.89 -1.25 116.42 119.18 1hqe h ASP 113 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hqe h ASP 113 Cb 0.29 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 1hqe h ASP 113 CO 0.01 0.23 -0.01 0.00 -3.12 0.00 0.00 179.24 176.35 1hqe h ALA 114 N 1.72 1.11 0.00 3.45 0.00 -1.59 -2.69 119.26 121.27 1hqe h ALA 114 Ca 0.24 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1hqe h ALA 114 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1hqe h ALA 114 CO -0.06 0.01 -0.86 1.88 0.00 0.00 0.00 179.25 180.23 1hqe h TYR 115 N 0.00 0.15 0.00 0.00 0.99 -1.41 -3.29 116.97 113.41 1hqe h TYR 115 Ca -0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1hqe h TYR 115 Cb 0.09 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.80 1hqe h TYR 115 CO 0.00 0.90 0.05 1.19 -0.00 0.00 0.00 178.16 180.30 1hqe n PHE 116 N -3.61 0.00 -0.06 4.88 0.99 -1.01 -2.17 117.46 116.48 1hqe n PHE 116 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.40 1hqe n PHE 116 Cb 0.80 -0.20 -0.01 0.00 -1.00 0.00 0.00 39.48 39.07 1hqe n PHE 116 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1hqe h SER 117 N 0.00 0.00 -2.48 4.37 4.64 -1.77 -3.47 113.55 114.84 1hqe h SER 117 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1hqe h SER 117 Cb 0.10 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1hqe h SER 117 CO 0.00 0.62 1.15 -0.69 -0.87 0.00 0.00 176.83 177.04 1hqe s VAL 118 N -1.94 2.77 0.54 0.95 1.01 -0.92 -4.91 120.40 117.90 1hqe s VAL 118 Ca -0.09 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1hqe s VAL 118 Cb 0.01 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 1hqe s VAL 118 CO 0.14 -0.00 1.05 -2.16 0.00 0.00 0.00 175.10 174.12 1hqe s PRO 119 N 3.43 3.55 -0.02 2.72 0.04 -1.26 -0.75 135.00 142.71 1hqe s PRO 119 Ca 0.83 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1hqe s PRO 119 Cb -0.44 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1hqe s PRO 119 CO 0.38 -0.63 0.19 -1.17 0.04 0.00 0.00 177.00 175.81 1hqe s LEU 120 N -4.02 4.37 -0.08 -3.56 2.96 0.24 -4.65 118.68 113.94 1hqe s LEU 120 Ca 0.65 0.39 -0.38 0.00 -0.22 0.00 0.00 54.13 54.58 1hqe s LEU 120 Cb -0.16 -2.58 -0.16 0.00 0.50 0.00 0.00 46.19 43.79 1hqe s LEU 120 CO 0.29 0.27 1.52 -0.67 -1.32 0.00 0.00 176.35 176.44 1hqe n ASP 121 N 1.07 1.95 -0.32 3.68 -0.08 -1.26 -4.80 116.55 116.78 1hqe n ASP 121 Ca -0.12 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.38 1hqe n ASP 121 Cb 0.53 -1.16 0.29 0.00 2.34 0.00 0.00 41.12 43.11 1hqe n ASP 121 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1hqe h GLU 122 N 5.73 0.59 -0.46 -0.67 4.22 -1.95 -1.50 114.58 120.54 1hqe h GLU 122 Ca -0.47 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 58.88 1hqe h GLU 122 Cb 1.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1hqe h GLU 122 CO 0.86 0.39 0.06 -0.44 -2.18 0.00 0.00 179.01 177.70 1hqe h ASP 123 N 0.61 0.74 0.52 1.04 3.32 -1.95 -3.07 116.42 117.62 1hqe h ASP 123 Ca 0.54 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1hqe h ASP 123 Cb 0.88 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1hqe h ASP 123 CO -0.42 0.82 -0.37 0.15 -1.72 0.00 0.00 179.24 177.70 1hqe h PHE 124 N 0.63 0.00 -1.29 4.55 3.57 -1.55 -3.33 116.94 119.51 1hqe h PHE 124 Ca 0.14 0.00 0.40 0.00 3.53 0.00 0.00 57.97 62.03 1hqe h PHE 124 Cb 0.40 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.03 1hqe h PHE 124 CO 0.03 0.37 0.85 0.00 -2.23 0.00 0.00 178.31 177.33 1hqe h ARG 125 N 0.00 0.14 -1.00 1.11 3.08 -1.30 -1.05 114.38 115.36 1hqe h ARG 125 Ca -0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1hqe h ARG 125 Cb 0.73 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 1hqe h ARG 125 CO 0.05 0.09 0.65 1.57 -1.07 0.00 0.00 179.97 181.26 1hqe h LYS 126 N 0.14 1.21 0.00 0.04 2.10 -1.78 -2.14 116.57 116.14 1hqe h LYS 126 Ca 0.75 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 1hqe h LYS 126 Cb 2.38 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 33.44 1hqe h LYS 126 CO -0.31 0.80 0.00 0.66 -2.00 0.00 0.00 179.45 178.59 1hqe n TYR 127 N -4.45 0.00 -0.33 0.07 0.53 -0.40 -1.36 117.16 111.22 1hqe n TYR 127 Ca 0.14 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 57.12 1hqe n TYR 127 Cb 0.12 -0.18 0.28 0.00 -1.03 0.00 0.00 39.34 38.53 1hqe n TYR 127 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1hqe n THR 128 N -1.18 1.03 -1.69 -0.72 -2.24 -0.80 -4.78 114.28 103.90 1hqe n THR 128 Ca 0.05 -1.01 -0.43 0.00 -2.27 0.00 0.00 64.05 60.38 1hqe n THR 128 Cb 0.05 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1hqe n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqe n ALA 129 N 1.32 1.23 -2.54 6.98 0.00 -0.47 -4.22 120.51 122.81 1hqe n ALA 129 Ca 0.21 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.94 1hqe n ALA 129 Cb 0.58 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 1hqe n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hqe s PHE 130 N -0.75 0.16 -0.03 0.00 -0.12 -0.23 -1.13 117.98 115.88 1hqe s PHE 130 Ca 0.60 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1hqe s PHE 130 Cb -0.59 -0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 41.72 1hqe s PHE 130 CO 0.58 -0.53 -0.12 0.99 -0.05 0.00 0.00 175.22 176.09 1hqe s THR 131 N -3.82 1.00 -0.24 -4.49 2.01 -1.26 -1.53 115.64 107.32 1hqe s THR 131 Ca 0.05 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 1hqe s THR 131 Cb 0.05 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1hqe s THR 131 CO -0.11 0.30 0.24 -0.63 -0.69 0.00 0.00 174.62 173.74 1hqe s ILE 132 N 0.10 5.30 0.86 1.82 1.01 0.10 -4.68 121.20 125.71 1hqe s ILE 132 Ca -0.02 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 1hqe s ILE 132 Cb -0.09 -3.58 0.12 0.00 0.01 0.00 0.00 42.46 38.92 1hqe s ILE 132 CO 0.01 0.30 1.22 -2.16 0.00 0.00 0.00 174.94 174.30 1hqe s PRO 133 N 1.28 1.51 -0.01 2.79 0.04 -1.26 -1.54 135.00 137.82 1hqe s PRO 133 Ca 0.11 -0.04 0.05 0.00 0.04 0.00 0.00 61.00 61.16 1hqe s PRO 133 Cb -0.14 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1hqe s PRO 133 CO 0.06 -1.88 -0.15 -1.54 0.04 0.00 0.00 177.00 173.53 1hqe s SER 134 N -4.65 1.80 -0.15 6.66 1.04 -1.26 -4.91 113.70 112.22 1hqe s SER 134 Ca 0.66 -0.30 -0.32 0.00 0.48 0.00 0.00 55.95 56.47 1hqe s SER 134 Cb -0.09 -0.19 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 1hqe s SER 134 CO 0.50 0.18 2.05 -0.38 0.98 0.00 0.00 173.24 176.57 1hqe n ILE 135 N 2.62 0.47 -2.26 -1.02 5.41 -1.26 -0.95 119.36 122.38 1hqe n ILE 135 Ca -0.15 -0.24 -0.20 0.00 1.00 0.00 0.00 62.75 63.17 1hqe n ILE 135 Cb 0.55 -2.10 -0.02 0.00 -0.71 0.00 0.00 39.64 37.35 1hqe n ILE 135 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1hqe n ASN 136 N 8.84 -5.58 -3.63 4.38 5.15 -1.26 -2.65 115.26 120.51 1hqe n ASN 136 Ca 0.28 0.05 -0.24 0.00 -0.60 0.00 0.00 54.58 54.07 1hqe n ASN 136 Cb 0.34 -4.64 0.07 0.00 -0.53 0.00 0.00 39.78 35.02 1hqe n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1hqe n ASN 137 N -1.66 -5.73 0.19 1.20 5.03 -0.13 -4.93 115.26 109.23 1hqe n ASN 137 Ca -0.23 -0.58 -0.12 0.00 0.87 0.00 0.00 54.58 54.52 1hqe n ASN 137 Cb 0.67 -4.88 -0.07 0.00 -1.02 0.00 0.00 39.78 34.48 1hqe n ASN 137 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1hqe h GLU 138 N -2.55 -0.51 -5.42 3.52 4.81 -1.68 -3.42 114.58 109.33 1hqe h GLU 138 Ca -0.57 0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.09 1hqe h GLU 138 Cb 1.37 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.75 1hqe h GLU 138 CO 0.57 -0.21 -0.27 0.99 -0.73 0.00 0.00 179.01 179.36 1hqe s THR 139 N -4.20 5.25 0.36 0.32 2.01 -1.26 -4.96 115.64 113.16 1hqe s THR 139 Ca -0.13 0.61 0.21 0.00 0.31 0.00 0.00 61.69 62.69 1hqe s THR 139 Cb 0.01 -3.68 0.35 0.00 0.01 0.00 0.00 72.50 69.19 1hqe s THR 139 CO 0.45 0.31 1.49 -2.65 -0.69 0.00 0.00 174.62 173.52 1hqe n PRO 140 N 4.14 -0.05 0.00 4.92 -0.02 -1.26 -4.40 135.00 138.32 1hqe n PRO 140 Ca -0.10 1.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1hqe n PRO 140 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1hqe n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqe n GLY 141 N -1.27 4.52 3.48 -1.23 0.00 -1.26 -4.90 105.19 104.52 1hqe n GLY 141 Ca 0.36 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1hqe n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqe s ILE 142 N -0.45 4.63 0.09 -0.61 -1.09 -0.59 -4.89 121.20 118.29 1hqe s ILE 142 Ca 0.00 -0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.16 1hqe s ILE 142 Cb 0.00 -4.42 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 1hqe s ILE 142 CO 0.00 -0.96 0.49 -0.13 -1.23 0.00 0.00 174.94 173.11 1hqe s ARG 143 N 3.28 3.96 -0.12 2.79 0.52 -1.26 -0.72 118.95 127.40 1hqe s ARG 143 Ca 0.23 0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 55.72 1hqe s ARG 143 Cb -0.16 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.28 1hqe s ARG 143 CO 0.15 0.57 0.44 0.71 0.02 0.00 0.00 175.30 177.20 1hqe s TYR 144 N -1.30 -0.43 -0.02 -0.53 1.51 -0.58 -2.61 117.35 113.39 1hqe s TYR 144 Ca 0.32 0.96 0.06 0.00 -1.01 0.00 0.00 57.07 57.41 1hqe s TYR 144 Cb -0.16 0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.85 1hqe s TYR 144 CO 0.18 -0.31 -0.21 1.14 -1.11 0.00 0.00 175.55 175.23 1hqe s GLN 145 N -0.29 1.74 0.51 -0.62 -2.07 -0.44 -1.07 119.66 117.42 1hqe s GLN 145 Ca -0.04 -0.75 -0.22 0.00 -1.82 0.00 0.00 55.36 52.52 1hqe s GLN 145 Cb -0.03 -1.66 -0.06 0.00 -1.09 0.00 0.00 33.01 30.17 1hqe s GLN 145 CO 0.02 0.44 1.27 0.71 -1.32 0.00 0.00 175.29 176.41 1hqe s TYR 146 N -0.46 2.54 -0.14 9.60 1.51 -1.26 -0.14 117.35 129.01 1hqe s TYR 146 Ca 0.07 1.45 0.15 0.00 -1.01 0.00 0.00 57.07 57.73 1hqe s TYR 146 Cb -0.08 -3.60 -0.21 0.00 -0.11 0.00 0.00 41.96 37.96 1hqe s TYR 146 CO -0.01 -2.27 0.10 0.09 -1.11 0.00 0.00 175.55 172.36 1hqe n ASN 147 N -0.83 1.09 -4.90 2.29 3.02 0.25 -4.74 115.26 111.45 1hqe n ASN 147 Ca 0.09 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.37 1hqe n ASN 147 Cb 0.47 1.03 -0.01 0.00 -0.61 0.00 0.00 39.78 40.66 1hqe n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1hqe s VAL 148 N -2.51 1.56 0.17 2.41 -7.23 -1.17 -0.59 120.40 113.04 1hqe s VAL 148 Ca -0.08 -1.53 -0.32 0.00 -1.81 0.00 0.00 61.98 58.25 1hqe s VAL 148 Cb 0.06 -2.09 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 1hqe s VAL 148 CO 0.66 0.00 1.70 -0.76 -0.31 0.00 0.00 175.10 176.39 1hqe s LEU 149 N -4.26 4.38 0.37 1.32 1.43 0.07 -4.50 118.68 117.48 1hqe s LEU 149 Ca 0.31 2.75 -0.25 0.00 -1.03 0.00 0.00 54.13 55.90 1hqe s LEU 149 Cb -0.02 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1hqe s LEU 149 CO 0.19 -0.93 1.03 -2.84 0.23 0.00 0.00 176.35 174.03 1hqe s PRO 150 N 1.63 4.32 0.00 1.29 0.02 -1.26 -4.03 135.00 136.97 1hqe s PRO 150 Ca 0.75 1.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 1hqe s PRO 150 Cb -0.47 -2.68 -0.00 0.00 0.02 0.00 0.00 34.50 31.38 1hqe s PRO 150 CO 0.33 -0.00 0.99 1.96 -0.33 0.00 0.00 177.00 179.95 1hqe h GLN 151 N 2.81 -0.02 0.00 5.54 4.20 -1.93 -3.11 115.11 122.60 1hqe h GLN 151 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1hqe h GLN 151 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1hqe h GLN 151 CO 0.63 -0.01 0.00 0.41 -0.67 0.00 0.00 178.83 179.19 1hqe n GLY 152 N -0.96 -0.53 3.63 3.46 0.00 -1.26 -4.67 105.19 104.86 1hqe n GLY 152 Ca -0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1hqe n GLY 152 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1hqe n TRP 153 N -1.41 0.80 -0.03 1.61 -0.00 -1.18 -4.73 117.44 112.50 1hqe n TRP 153 Ca 0.01 0.39 -0.10 0.00 -0.00 0.00 0.00 57.50 57.80 1hqe n TRP 153 Cb 0.04 -2.07 -0.14 0.00 -0.00 0.00 0.00 31.31 29.13 1hqe n TRP 153 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1hqe n LYS 154 N -2.44 0.65 -0.02 5.87 2.85 -1.26 -4.11 118.16 119.70 1hqe n LYS 154 Ca 0.13 0.27 0.03 0.00 -1.05 0.00 0.00 58.31 57.69 1hqe n LYS 154 Cb 0.50 -1.77 0.40 0.00 -0.65 0.00 0.00 35.03 33.51 1hqe n LYS 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1hqe h GLY 155 N 3.35 0.61 0.62 2.58 0.00 -1.93 -3.29 103.07 105.02 1hqe h GLY 155 Ca -0.32 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1hqe h GLY 155 CO 0.08 0.24 -0.33 1.48 0.00 0.00 0.00 176.54 178.00 1hqe h SER 156 N 0.58 -0.91 0.03 0.19 4.64 -1.84 -2.19 113.55 114.04 1hqe h SER 156 Ca 0.15 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1hqe h SER 156 Cb -0.02 0.31 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1hqe h SER 156 CO -0.03 -0.47 -0.01 1.55 -0.87 0.00 0.00 176.83 177.01 1hqe h PRO 157 N -0.69 0.00 0.34 4.77 0.13 -1.80 -1.16 132.00 133.61 1hqe h PRO 157 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1hqe h PRO 157 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1hqe h PRO 157 CO -0.07 0.01 -0.17 0.00 -0.23 0.00 0.00 178.00 177.54 1hqe h ALA 158 N 1.99 -0.46 -0.89 -0.56 0.00 -1.58 0.29 119.26 118.06 1hqe h ALA 158 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1hqe h ALA 158 Cb 0.02 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1hqe h ALA 158 CO 0.00 -0.52 0.55 0.82 0.00 0.00 0.00 179.25 180.10 1hqe h ILE 159 N -0.95 0.99 -0.01 0.00 2.04 -1.04 -0.59 117.51 117.96 1hqe h ILE 159 Ca -0.05 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1hqe h ILE 159 Cb 0.52 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1hqe h ILE 159 CO 0.08 0.17 -0.05 0.33 0.00 0.00 0.00 178.15 178.69 1hqe n PHE 160 N -4.64 0.00 0.04 1.37 7.35 -0.47 -3.68 117.46 117.44 1hqe n PHE 160 Ca 0.14 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.91 1hqe n PHE 160 Cb 0.23 -0.07 0.52 0.00 0.35 0.00 0.00 39.48 40.51 1hqe n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1hqe h GLN 161 N 0.91 0.33 0.34 -4.13 5.75 0.13 0.21 115.11 118.64 1hqe h GLN 161 Ca 0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1hqe h GLN 161 Cb 0.29 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1hqe h GLN 161 CO 0.00 0.22 -0.16 0.66 -2.65 0.00 0.00 178.83 176.89 1hqe h SER 162 N 0.34 -0.39 -0.77 -0.69 4.64 -1.72 -2.05 113.55 112.91 1hqe h SER 162 Ca 0.15 -0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 1hqe h SER 162 Cb 0.19 0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 1hqe h SER 162 CO -0.03 0.00 0.50 0.28 -0.87 0.00 0.00 176.83 176.71 1hqe h SER 163 N -0.84 0.71 -0.08 4.97 0.02 -1.61 -2.21 113.55 114.52 1hqe h SER 163 Ca -0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 1hqe h SER 163 Cb 0.53 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1hqe h SER 163 CO 0.08 0.46 -0.50 -0.03 -1.14 0.00 0.00 176.83 175.69 1hqe h MET 164 N 0.81 0.65 -0.55 3.45 -1.53 -0.62 -1.12 114.93 116.02 1hqe h MET 164 Ca 0.33 -0.38 -0.09 0.00 -3.44 0.00 0.00 59.70 56.11 1hqe h MET 164 Cb 0.26 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.32 1hqe h MET 164 CO -0.11 1.00 -0.03 1.79 0.14 0.00 0.00 176.91 179.69 1hqe h THR 165 N 0.51 1.26 -0.11 -0.77 1.35 -0.82 0.21 112.91 114.54 1hqe h THR 165 Ca 0.02 -1.14 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 1hqe h THR 165 Cb 1.05 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1hqe h THR 165 CO 0.10 0.41 -0.08 0.11 -0.25 0.00 0.00 175.52 175.80 1hqe h LYS 166 N 0.88 -0.09 -0.36 4.72 1.57 -1.12 0.32 116.57 122.49 1hqe h LYS 166 Ca 0.16 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1hqe h LYS 166 Cb 0.56 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1hqe h LYS 166 CO 0.03 -0.06 -0.08 0.82 -0.57 0.00 0.00 179.45 179.59 1hqe h ILE 167 N -0.09 1.23 0.00 1.86 2.04 -0.79 -3.09 117.51 118.67 1hqe h ILE 167 Ca 0.07 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1hqe h ILE 167 Cb 0.20 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1hqe h ILE 167 CO -0.17 0.34 -0.36 -0.07 0.00 0.00 0.00 178.15 177.89 1hqe h LEU 168 N 0.57 0.00 -0.95 1.44 3.38 0.33 -3.38 115.31 116.69 1hqe h LEU 168 Ca 0.11 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.33 1hqe h LEU 168 Cb 0.48 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1hqe h LEU 168 CO 0.03 0.12 0.47 -0.08 0.09 0.00 0.00 178.44 179.07 1hqe h GLU 169 N 0.00 0.38 -0.19 1.13 4.22 -0.30 -0.51 114.58 119.30 1hqe h GLU 169 Ca -0.01 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.31 1hqe h GLU 169 Cb 1.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1hqe h GLU 169 CO 0.01 0.25 -0.27 -1.35 -2.18 0.00 0.00 179.01 175.48 1hqe h PRO 170 N 0.39 0.53 -0.46 0.92 0.11 -1.79 -2.72 132.00 128.98 1hqe h PRO 170 Ca 0.63 -0.31 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 1hqe h PRO 170 Cb 1.28 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1hqe h PRO 170 CO -0.56 0.90 0.01 0.35 -0.21 0.00 0.00 178.00 178.49 1hqe h PHE 171 N 0.19 0.79 -0.00 0.65 3.57 -1.69 0.21 116.94 120.66 1hqe h PHE 171 Ca 0.02 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1hqe h PHE 171 Cb 0.84 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1hqe h PHE 171 CO 0.09 0.73 0.00 1.63 -2.23 0.00 0.00 178.31 178.53 1hqe n LYS 172 N -4.23 1.01 -0.08 1.11 5.02 -0.25 -0.86 118.16 119.88 1hqe n LYS 172 Ca 0.02 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 1hqe n LYS 172 Cb 0.29 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1hqe n LYS 172 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hqe n LYS 173 N -0.83 0.40 0.27 1.97 5.02 -0.37 -4.54 118.16 120.08 1hqe n LYS 173 Ca 0.17 0.17 0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1hqe n LYS 173 Cb 0.08 -1.19 0.77 0.00 -0.02 0.00 0.00 35.03 34.67 1hqe n LYS 173 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1hqe h GLN 174 N -0.71 0.00 -3.56 1.97 4.20 -0.67 -3.34 115.11 113.00 1hqe h GLN 174 Ca -0.30 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.80 1hqe h GLN 174 Cb 1.15 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.53 1hqe h GLN 174 CO -0.18 0.10 -0.74 -0.80 -0.67 0.00 0.00 178.83 176.53 1hqe s ASN 175 N -6.09 4.04 0.04 1.46 0.01 -0.04 -4.99 114.94 109.38 1hqe s ASN 175 Ca -0.03 -2.04 0.00 0.00 -0.71 0.00 0.00 52.86 50.08 1hqe s ASN 175 Cb 0.13 -1.05 -0.26 0.00 0.41 0.00 0.00 41.25 40.48 1hqe s ASN 175 CO 0.57 -0.36 1.01 1.55 -1.51 0.00 0.00 177.10 178.36 1hqe h PRO 176 N 7.58 0.17 -0.89 -0.60 0.13 -1.80 -3.33 132.00 133.27 1hqe h PRO 176 Ca -0.08 -0.30 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1hqe h PRO 176 Cb 0.99 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 1hqe h PRO 176 CO 0.49 1.05 0.11 -0.25 -0.23 0.00 0.00 178.00 179.17 1hqe n ASP 177 N -3.41 3.17 -4.04 1.44 9.92 -1.26 -4.75 116.55 117.61 1hqe n ASP 177 Ca -0.11 -2.51 -0.31 0.00 -0.53 0.00 0.00 54.79 51.32 1hqe n ASP 177 Cb 1.02 -0.61 -0.16 0.00 -0.64 0.00 0.00 41.12 40.73 1hqe n ASP 177 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1hqe s ILE 178 N -1.64 1.89 -0.18 0.53 1.01 -1.25 -4.36 121.20 117.19 1hqe s ILE 178 Ca 0.24 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 1hqe s ILE 178 Cb 0.19 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1hqe s ILE 178 CO 0.06 0.19 0.49 -0.69 0.00 0.00 0.00 174.94 174.99 1hqe s VAL 179 N 1.29 5.14 -0.16 2.92 1.01 -0.79 -4.95 120.40 124.86 1hqe s VAL 179 Ca -0.02 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1hqe s VAL 179 Cb -0.17 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1hqe s VAL 179 CO -0.08 0.23 -0.11 -0.63 0.00 0.00 0.00 175.10 174.51 1hqe s ILE 180 N 1.32 1.42 -0.07 2.22 1.01 -1.26 -0.62 121.20 125.21 1hqe s ILE 180 Ca 0.24 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1hqe s ILE 180 Cb -0.15 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1hqe s ILE 180 CO 0.10 0.33 -0.21 -0.47 0.00 0.00 0.00 174.94 174.69 1hqe s TYR 181 N 1.53 2.57 -0.22 3.97 5.04 0.42 -4.97 117.35 125.68 1hqe s TYR 181 Ca 0.03 -0.63 -0.08 0.00 -2.44 0.00 0.00 57.07 53.96 1hqe s TYR 181 Cb -0.14 -1.66 -0.04 0.00 0.35 0.00 0.00 41.96 40.48 1hqe s TYR 181 CO -0.09 -0.15 0.08 -1.14 -1.34 0.00 0.00 175.55 172.90 1hqe s GLN 182 N -0.14 3.85 -0.25 4.97 0.74 -1.26 0.13 119.66 127.71 1hqe s GLN 182 Ca -0.03 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.00 1hqe s GLN 182 Cb -0.14 -3.31 0.06 0.00 1.10 0.00 0.00 33.01 30.72 1hqe s GLN 182 CO 0.04 0.04 -0.04 -0.47 -0.55 0.00 0.00 175.29 174.30 1hqe s TYR 183 N 1.02 2.50 0.00 1.67 5.04 0.13 -4.97 117.35 122.74 1hqe s TYR 183 Ca 0.05 -1.86 0.00 0.00 -2.44 0.00 0.00 57.07 52.81 1hqe s TYR 183 Cb -0.14 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1hqe s TYR 183 CO 0.03 -0.80 0.00 -1.33 -1.34 0.00 0.00 175.55 172.12 1hqe n MET 184 N 4.64 0.00 0.21 4.97 2.81 -1.26 -0.83 117.12 127.66 1hqe n MET 184 Ca -0.11 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.91 1hqe n MET 184 Cb 0.44 0.00 0.30 0.00 -0.71 0.00 0.00 33.22 33.25 1hqe n MET 184 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1hqe h ASP 185 N 0.00 0.00 -2.90 7.83 5.19 -1.90 -3.44 116.42 121.20 1hqe h ASP 185 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 1hqe h ASP 185 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1hqe h ASP 185 CO 0.00 0.00 -0.49 -1.81 -3.12 0.00 0.00 179.24 173.82 1hqe s ASP 186 N -5.78 6.37 -0.28 6.45 -0.00 -0.01 -0.89 116.67 122.53 1hqe s ASP 186 Ca 0.07 0.31 -0.01 0.00 -0.00 0.00 0.00 52.55 52.91 1hqe s ASP 186 Cb 0.07 -1.98 0.04 0.00 -0.00 0.00 0.00 42.92 41.06 1hqe s ASP 186 CO 0.63 0.19 -0.03 -0.22 -0.00 0.00 0.00 175.17 175.74 1hqe s LEU 187 N -2.37 3.64 -0.45 1.23 2.96 -0.60 0.19 118.68 123.28 1hqe s LEU 187 Ca 0.33 -1.15 -0.22 0.00 -0.22 0.00 0.00 54.13 52.87 1hqe s LEU 187 Cb -0.13 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1hqe s LEU 187 CO 0.26 -0.21 0.75 -0.31 -1.32 0.00 0.00 176.35 175.52 1hqe s TYR 188 N 1.27 3.00 -0.21 5.38 1.51 0.36 -1.87 117.35 126.79 1hqe s TYR 188 Ca -0.04 0.08 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1hqe s TYR 188 Cb -0.19 -3.61 -0.03 0.00 -0.11 0.00 0.00 41.96 38.03 1hqe s TYR 188 CO -0.02 -0.98 0.01 0.08 -1.11 0.00 0.00 175.55 173.53 1hqe s VAL 189 N 3.19 4.02 -0.03 0.71 1.01 0.17 -0.44 120.40 129.03 1hqe s VAL 189 Ca 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1hqe s VAL 189 Cb -0.13 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1hqe s VAL 189 CO 0.21 0.42 0.07 -0.83 0.00 0.00 0.00 175.10 174.98 1hqe s GLY 190 N 1.06 -0.05 0.06 4.51 0.00 0.21 0.21 107.32 113.32 1hqe s GLY 190 Ca 0.02 0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.97 1hqe s GLY 190 CO 0.02 0.16 -0.12 -1.35 0.00 0.00 0.00 173.10 171.81 1hqe s SER 191 N -0.02 1.38 0.13 1.64 1.04 -0.13 -1.89 113.70 115.86 1hqe s SER 191 Ca -0.01 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 55.92 1hqe s SER 191 Cb -0.01 -0.02 0.49 0.00 0.10 0.00 0.00 66.02 66.58 1hqe s SER 191 CO 0.00 -0.12 1.27 0.47 0.98 0.00 0.00 173.24 175.84 1hqe n ASP 192 N 1.33 0.23 -3.62 7.02 8.00 -1.26 -2.44 116.55 125.80 1hqe n ASP 192 Ca -0.22 0.61 -0.08 0.00 0.71 0.00 0.00 54.79 55.81 1hqe n ASP 192 Cb 0.54 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1hqe n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hqe s LEU 193 N -3.62 -0.33 -0.89 0.64 2.01 -1.26 -3.90 118.68 111.32 1hqe s LEU 193 Ca -0.01 0.56 -0.16 0.00 0.01 0.00 0.00 54.13 54.53 1hqe s LEU 193 Cb 0.03 1.69 0.18 0.00 0.01 0.00 0.00 46.19 48.09 1hqe s LEU 193 CO 0.08 -0.17 0.97 -0.70 1.01 0.00 0.00 176.35 177.54 1hqe s GLU 194 N -0.24 3.63 0.00 1.70 2.56 -1.26 -4.24 118.70 120.85 1hqe s GLU 194 Ca 0.03 -2.14 0.29 0.00 0.00 0.00 0.00 54.97 53.15 1hqe s GLU 194 Cb -0.04 -4.68 1.28 0.00 2.00 0.00 0.00 34.13 32.69 1hqe s GLU 194 CO -0.06 -1.53 1.95 -0.89 -0.56 0.00 0.00 175.26 174.16 1hqe n ILE 195 N 4.70 0.01 0.00 -3.70 2.08 -1.26 -4.76 119.36 116.42 1hqe n ILE 195 Ca 0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1hqe n ILE 195 Cb 0.48 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 1hqe n ILE 195 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hqe n GLY 196 N 1.44 1.46 0.32 7.39 0.00 -1.26 -4.95 105.19 109.59 1hqe n GLY 196 Ca 0.08 -0.27 0.19 0.00 0.00 0.00 0.00 46.02 46.02 1hqe n GLY 196 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1hqe h GLN 197 N 0.00 0.00 0.63 1.61 -0.00 -1.86 -3.28 115.11 112.20 1hqe h GLN 197 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1hqe h GLN 197 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1hqe h GLN 197 CO 0.00 0.01 -0.36 1.25 -0.00 0.00 0.00 178.83 179.73 1hqe h HIS 198 N 0.00 -0.96 -0.37 0.06 2.76 -1.91 0.16 115.15 114.90 1hqe h HIS 198 Ca -0.00 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.26 1hqe h HIS 198 Cb 0.05 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1hqe h HIS 198 CO 0.00 -0.55 0.33 0.00 -1.30 0.00 0.00 177.93 176.41 1hqe h ARG 199 N -0.92 0.00 0.03 5.26 3.08 -1.94 -1.68 114.38 118.21 1hqe h ARG 199 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1hqe h ARG 199 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1hqe h ARG 199 CO 0.10 0.00 -0.01 1.15 -1.07 0.00 0.00 179.97 180.14 1hqe h THR 200 N 0.00 1.42 0.00 2.04 2.02 -1.62 -2.77 112.91 114.01 1hqe h THR 200 Ca 0.17 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1hqe h THR 200 Cb 0.83 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1hqe h THR 200 CO -0.00 0.41 0.03 0.29 0.37 0.00 0.00 175.52 176.62 1hqe n LYS 201 N -4.76 0.13 -0.07 6.66 4.76 0.55 0.08 118.16 125.51 1hqe n LYS 201 Ca -0.09 0.63 -0.07 0.00 -2.87 0.00 0.00 58.31 55.92 1hqe n LYS 201 Cb 0.34 -1.97 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 1hqe n LYS 201 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1hqe h ILE 202 N 0.00 0.48 -0.41 -0.18 1.08 -1.29 -2.82 117.51 114.37 1hqe h ILE 202 Ca 0.00 -1.42 0.12 0.00 -0.39 0.00 0.00 64.86 63.17 1hqe h ILE 202 Cb 0.07 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1hqe h ILE 202 CO 0.00 0.16 0.39 -0.08 -0.69 0.00 0.00 178.15 177.93 1hqe h GLU 203 N -1.00 0.00 -0.19 2.37 4.57 -0.89 0.37 114.58 119.81 1hqe h GLU 203 Ca -0.04 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1hqe h GLU 203 Cb 0.49 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1hqe h GLU 203 CO -0.03 0.00 -0.20 0.93 -1.18 0.00 0.00 179.01 178.53 1hqe h GLU 204 N 0.00 0.47 -0.18 1.92 5.08 -0.41 -1.85 114.58 119.61 1hqe h GLU 204 Ca 0.19 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1hqe h GLU 204 Cb 0.96 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1hqe h GLU 204 CO -0.00 0.83 -0.27 1.25 -1.00 0.00 0.00 179.01 179.82 1hqe h LEU 205 N 0.13 0.34 -0.05 1.33 5.85 -0.16 -0.80 115.31 121.95 1hqe h LEU 205 Ca 0.03 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1hqe h LEU 205 Cb 0.75 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1hqe h LEU 205 CO 0.05 0.61 0.03 0.03 -0.34 0.00 0.00 178.44 178.82 1hqe h ARG 206 N 0.30 0.07 -0.60 1.25 3.08 -0.52 -0.13 114.38 117.83 1hqe h ARG 206 Ca 0.04 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1hqe h ARG 206 Cb 0.64 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1hqe h ARG 206 CO 0.05 0.12 0.37 1.96 -1.07 0.00 0.00 179.97 181.39 1hqe h GLN 207 N 0.01 0.71 -0.46 0.04 1.08 -0.92 0.29 115.11 115.87 1hqe h GLN 207 Ca 0.02 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1hqe h GLN 207 Cb 0.06 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1hqe h GLN 207 CO -0.00 0.47 0.29 1.25 -0.95 0.00 0.00 178.83 179.89 1hqe h HIS 208 N 0.73 0.54 -0.39 2.96 -0.00 -0.97 0.33 115.15 118.36 1hqe h HIS 208 Ca 0.24 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.51 1hqe h HIS 208 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1hqe h HIS 208 CO -0.05 0.33 -0.23 -0.07 -0.00 0.00 0.00 177.93 177.90 1hqe h LEU 209 N 0.58 0.78 -1.23 0.26 3.38 -0.24 -0.78 115.31 118.06 1hqe h LEU 209 Ca 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1hqe h LEU 209 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1hqe h LEU 209 CO -0.06 0.99 0.15 0.25 0.09 0.00 0.00 178.44 179.85 1hqe h LEU 210 N 0.67 0.62 0.58 1.67 5.85 0.15 0.96 115.31 125.81 1hqe h LEU 210 Ca 0.09 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1hqe h LEU 210 Cb 0.74 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1hqe h LEU 210 CO 0.06 0.60 -0.28 0.03 -0.34 0.00 0.00 178.44 178.51 1hqe h ARG 211 N 0.67 -0.75 -0.09 1.25 3.08 0.25 -3.08 114.38 115.71 1hqe h ARG 211 Ca 0.16 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1hqe h ARG 211 Cb 0.20 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1hqe h ARG 211 CO -0.01 -0.46 0.00 1.87 -1.07 0.00 0.00 179.97 180.30 1hqe n TRP 212 N -5.30 0.00 -0.22 3.04 -0.00 -0.36 -4.78 117.44 109.83 1hqe n TRP 212 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 1hqe n TRP 212 Cb 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 1hqe n TRP 212 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1hqe n GLY 213 N -0.00 0.87 3.22 5.87 0.00 -1.02 -5.06 105.19 109.07 1hqe n GLY 213 Ca 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1hqe n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqe s LEU 214 N 0.00 3.76 -1.32 0.99 1.43 0.33 -4.92 118.68 118.94 1hqe s LEU 214 Ca 0.00 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 51.93 1hqe s LEU 214 Cb 0.00 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.60 1hqe s LEU 214 CO 0.00 -0.22 1.94 0.41 0.23 0.00 0.00 176.35 178.71 1hqe n THR 215 N 4.70 4.10 -1.80 5.49 -1.04 -1.26 -2.97 114.28 121.49 1hqe n THR 215 Ca -0.14 -4.04 -0.42 0.00 -2.04 0.00 0.00 64.05 57.40 1hqe n THR 215 Cb 0.45 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.50 1hqe n THR 215 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1hqe s THR 216 N 1.29 3.03 0.03 12.58 2.01 -1.26 -4.84 115.64 128.48 1hqe s THR 216 Ca 0.42 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.62 1hqe s THR 216 Cb 0.10 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1hqe s THR 216 CO -0.02 -0.01 0.12 -0.81 -0.69 0.00 0.00 174.62 173.21 1hqe n PRO 217 N 6.64 0.00 -2.11 4.92 -0.04 -1.26 -5.08 135.00 138.06 1hqe n PRO 217 Ca 0.18 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.24 1hqe n PRO 217 Cb 0.41 -0.22 -0.00 0.00 -0.04 0.00 0.00 33.50 33.65 1hqe n PRO 217 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hqe n ASP 218 N 0.39 7.80 0.00 3.54 9.92 -1.26 -5.10 116.55 131.84 1hqe n ASP 218 Ca 0.04 -3.23 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 1hqe n ASP 218 Cb 0.05 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.19 1hqe n ASP 218 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1hqe n GLY 231 N 1.50 1.47 3.64 0.44 0.00 -0.20 -5.06 105.19 106.98 1hqe n GLY 231 Ca 0.59 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.24 1hqe n GLY 231 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hqe s TYR 232 N -1.51 3.29 -0.51 1.61 6.04 -1.24 -4.95 117.35 120.08 1hqe s TYR 232 Ca 0.00 0.21 -0.25 0.00 0.04 0.00 0.00 57.07 57.07 1hqe s TYR 232 Cb 0.00 -2.31 0.03 0.00 -1.04 0.00 0.00 41.96 38.65 1hqe s TYR 232 CO 0.00 0.00 0.94 -1.21 -1.54 0.00 0.00 175.55 173.74 1hqe s GLU 233 N 1.26 3.43 -0.04 4.97 0.41 -1.26 -3.23 118.70 124.24 1hqe s GLU 233 Ca 0.08 -0.04 0.04 0.00 -0.41 0.00 0.00 54.97 54.64 1hqe s GLU 233 Cb -0.14 -3.99 -0.03 0.00 -1.78 0.00 0.00 34.13 28.19 1hqe s GLU 233 CO 0.06 -1.35 -0.15 -0.51 -0.49 0.00 0.00 175.26 172.82 1hqe s LEU 234 N 3.87 2.69 -0.46 1.80 1.43 0.25 -4.96 118.68 123.29 1hqe s LEU 234 Ca 0.34 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1hqe s LEU 234 Cb -0.11 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 44.71 1hqe s LEU 234 CO 0.23 0.34 0.30 -1.00 0.23 0.00 0.00 176.35 176.44 1hqe s HIS 235 N -0.74 1.88 0.00 0.29 3.76 -1.26 0.90 115.29 120.12 1hqe s HIS 235 Ca 0.12 -2.45 -0.03 0.00 -0.15 0.00 0.00 55.06 52.55 1hqe s HIS 235 Cb -0.11 -1.69 -0.14 0.00 1.11 0.00 0.00 32.58 31.76 1hqe s HIS 235 CO 0.01 -0.76 2.22 -0.35 -0.85 0.00 0.00 174.74 175.00 1hqe n PRO 236 N 3.21 1.12 0.00 8.40 -0.04 -1.24 -3.07 135.00 143.38 1hqe n PRO 236 Ca 0.15 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1hqe n PRO 236 Cb 0.38 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1hqe n PRO 236 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hqe n ASP 237 N 2.51 4.06 0.01 3.54 10.43 -1.26 -4.38 116.55 131.46 1hqe n ASP 237 Ca 0.22 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.67 1hqe n ASP 237 Cb 0.52 0.10 0.42 0.00 1.84 0.00 0.00 41.12 43.99 1hqe n ASP 237 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1hqe n LYS 238 N -2.36 0.01 -1.96 -1.24 5.02 -1.17 -4.63 118.16 111.83 1hqe n LYS 238 Ca 0.00 0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 56.14 1hqe n LYS 238 Cb 0.48 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1hqe n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1hqe s TRP 239 N -3.02 1.60 0.21 2.13 0.51 -1.26 -4.93 118.94 114.18 1hqe s TRP 239 Ca 0.09 0.91 0.07 0.00 -2.12 0.00 0.00 56.10 55.05 1hqe s TRP 239 Cb 0.13 -3.98 -0.04 0.00 -0.81 0.00 0.00 33.47 28.77 1hqe s TRP 239 CO 0.36 -2.13 0.12 0.95 -0.51 0.00 0.00 176.95 175.75 1hqe s THR 240 N 10.10 4.24 0.24 2.01 -4.23 -1.26 -5.10 115.64 121.63 1hqe s THR 240 Ca 0.73 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.75 1hqe s THR 240 Cb -0.11 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.43 1hqe s THR 240 CO 0.14 -0.23 0.64 0.68 -0.54 0.00 0.00 174.62 175.31 1hqe s VAL 241 N -1.96 4.77 -0.39 2.29 -7.23 -1.26 -4.84 120.40 111.78 1hqe s VAL 241 Ca 0.31 0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 61.28 1hqe s VAL 241 Cb -0.09 -3.68 0.09 0.00 0.56 0.00 0.00 36.38 33.26 1hqe s VAL 241 CO 0.23 0.01 0.19 -1.58 -0.31 0.00 0.00 175.10 173.64 1hqe s GLN 242 N -2.53 2.27 0.19 4.82 2.00 0.77 -5.00 119.66 122.19 1hqe s GLN 242 Ca 0.47 -1.61 -0.03 0.00 -2.00 0.00 0.00 55.36 52.19 1hqe s GLN 242 Cb -0.13 -3.58 0.04 0.00 0.80 0.00 0.00 33.01 30.15 1hqe s GLN 242 CO 0.19 -0.96 0.27 -0.35 -0.50 0.00 0.00 175.29 173.94 1hqe n PRO 243 N 4.70 -0.23 -3.36 1.67 -0.04 -1.26 -4.52 135.00 131.96 1hqe n PRO 243 Ca -0.07 -0.42 -0.38 0.00 -0.04 0.00 0.00 63.50 62.59 1hqe n PRO 243 Cb 0.42 -0.27 -0.07 0.00 -0.04 0.00 0.00 33.50 33.54 1hqe n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1hqe s ILE 244 N -1.54 5.19 -0.12 0.52 1.01 -1.26 -4.92 121.20 120.08 1hqe s ILE 244 Ca 0.15 0.80 -0.00 0.00 0.00 0.00 0.00 60.65 61.60 1hqe s ILE 244 Cb -0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1hqe s ILE 244 CO 0.11 0.27 -0.11 0.68 0.00 0.00 0.00 174.94 175.89 1hqe s VAL 245 N 1.09 3.25 -0.08 2.92 -7.23 -1.24 -4.68 120.40 114.42 1hqe s VAL 245 Ca 0.22 -0.61 -0.10 0.00 -1.81 0.00 0.00 61.98 59.68 1hqe s VAL 245 Cb -0.15 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1hqe s VAL 245 CO 0.08 0.54 0.24 -0.76 -0.31 0.00 0.00 175.10 174.89 1hqe s LEU 246 N 0.09 4.41 0.32 1.32 1.43 -1.26 -4.88 118.68 120.11 1hqe s LEU 246 Ca -0.04 0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 53.41 1hqe s LEU 246 Cb -0.14 -2.27 -0.11 0.00 0.03 0.00 0.00 46.19 43.70 1hqe s LEU 246 CO 0.04 0.36 1.42 -2.16 0.23 0.00 0.00 176.35 176.25 1hqe s PRO 247 N -0.97 4.24 -0.21 1.29 0.04 -1.26 -4.93 135.00 133.20 1hqe s PRO 247 Ca 0.18 2.37 0.02 0.00 0.04 0.00 0.00 61.00 63.61 1hqe s PRO 247 Cb -0.14 -3.05 0.29 0.00 0.04 0.00 0.00 34.50 31.64 1hqe s PRO 247 CO 0.07 -0.39 1.47 -0.85 0.04 0.00 0.00 177.00 177.34 1hqe n GLU 248 N 1.28 1.58 -1.62 4.56 -0.00 -1.26 -4.99 120.64 120.18 1hqe n GLU 248 Ca 0.03 -1.35 -0.54 0.00 -0.00 0.00 0.00 57.16 55.30 1hqe n GLU 248 Cb 0.40 -1.53 -0.06 0.00 -0.00 0.00 0.00 31.44 30.25 1hqe n GLU 248 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1hqe n LYS 249 N -0.17 1.14 -2.20 3.44 0.00 -1.26 -4.81 118.16 114.29 1hqe n LYS 249 Ca 0.27 0.41 -0.36 0.00 -0.00 0.00 0.00 58.31 58.64 1hqe n LYS 249 Cb 0.98 -2.07 -0.03 0.00 -0.00 0.00 0.00 35.03 33.91 1hqe n LYS 249 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hqe n ASP 250 N 3.35 3.82 -4.33 -5.58 8.00 -1.26 -4.32 116.55 116.24 1hqe n ASP 250 Ca 0.21 -2.79 -0.38 0.00 0.71 0.00 0.00 54.79 52.53 1hqe n ASP 250 Cb 0.17 -1.70 -0.04 0.00 -0.02 0.00 0.00 41.12 39.52 1hqe n ASP 250 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hqe n SER 251 N 11.24 -2.81 -3.32 -2.24 7.64 -1.26 -4.93 113.62 117.93 1hqe n SER 251 Ca 0.47 -1.09 -0.21 0.00 1.01 0.00 0.00 58.87 59.06 1hqe n SER 251 Cb 0.46 -2.39 0.15 0.00 -1.01 0.00 0.00 64.21 61.41 1hqe n SER 251 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1hqe n TRP 252 N -4.29 -3.96 -0.20 1.43 5.03 -1.26 -3.71 117.44 110.48 1hqe n TRP 252 Ca 0.09 -0.81 -0.07 0.00 3.03 0.00 0.00 57.50 59.73 1hqe n TRP 252 Cb 0.48 -0.72 0.01 0.00 -1.03 0.00 0.00 31.31 30.04 1hqe n TRP 252 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 1hqe n THR 253 N -3.37 0.00 -0.17 -0.99 -2.24 -1.26 -3.93 114.28 102.32 1hqe n THR 253 Ca 0.12 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1hqe n THR 253 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1hqe n THR 253 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1hqe h VAL 254 N -0.20 1.27 -0.98 2.28 2.07 -1.12 -2.88 116.25 116.70 1hqe h VAL 254 Ca -0.09 -1.21 0.17 0.00 0.82 0.00 0.00 66.70 66.39 1hqe h VAL 254 Cb 0.27 1.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 1hqe h VAL 254 CO 0.05 0.42 0.59 -1.13 0.02 0.00 0.00 177.57 177.51 1hqe h ASN 255 N 0.80 0.78 -0.03 0.57 -0.73 -1.88 0.28 115.58 115.36 1hqe h ASN 255 Ca 0.13 0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 1hqe h ASN 255 Cb 0.64 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.17 1hqe h ASN 255 CO 0.04 0.32 0.02 0.44 -0.37 0.00 0.00 177.43 177.88 1hqe h ASP 256 N 0.80 0.04 0.44 1.15 3.32 -1.81 0.86 116.42 121.23 1hqe h ASP 256 Ca 0.54 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1hqe h ASP 256 Cb 0.76 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1hqe h ASP 256 CO -0.35 0.17 0.00 0.40 -1.72 0.00 0.00 179.24 177.73 1hqe h ILE 257 N -0.08 0.00 0.09 0.35 5.03 -0.86 0.19 117.51 122.23 1hqe h ILE 257 Ca 0.01 -0.19 -0.18 0.00 -0.12 0.00 0.00 64.86 64.38 1hqe h ILE 257 Cb 0.13 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.94 1hqe h ILE 257 CO -0.00 0.00 -0.90 1.56 -0.68 0.00 0.00 178.15 178.13 1hqe h GLN 258 N 0.00 0.18 0.00 2.37 4.20 0.18 -1.39 115.11 120.65 1hqe h GLN 258 Ca 0.00 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1hqe h GLN 258 Cb 0.22 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1hqe h GLN 258 CO 0.00 1.15 0.00 1.63 -0.67 0.00 0.00 178.83 180.94 1hqe n LYS 259 N -4.20 0.01 -0.08 1.46 4.76 0.28 -1.20 118.16 119.19 1hqe n LYS 259 Ca -0.19 0.28 -0.09 0.00 -2.87 0.00 0.00 58.31 55.44 1hqe n LYS 259 Cb 0.76 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.42 1hqe n LYS 259 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1hqe n LEU 260 N -1.48 1.87 0.27 -0.35 7.94 0.57 -3.86 117.00 121.95 1hqe n LEU 260 Ca 0.03 0.50 0.11 0.00 -1.11 0.00 0.00 56.01 55.54 1hqe n LEU 260 Cb 0.14 -0.83 0.73 0.00 0.53 0.00 0.00 43.42 44.00 1hqe n LEU 260 CO 0.11 -0.29 1.05 0.58 -1.11 0.00 0.00 177.39 177.74 1hqe h VAL 261 N -1.00 0.78 -0.04 1.96 2.07 -1.13 -0.95 116.25 117.94 1hqe h VAL 261 Ca -0.07 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1hqe h VAL 261 Cb 0.81 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1hqe h VAL 261 CO -0.04 0.05 -0.03 1.23 0.02 0.00 0.00 177.57 178.80 1hqe h GLY 262 N 0.23 0.10 0.72 2.17 0.00 -1.36 -2.83 103.07 102.10 1hqe h GLY 262 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1hqe h GLY 262 CO 0.01 0.09 0.54 1.70 0.00 0.00 0.00 176.54 178.88 1hqe h LYS 263 N -0.34 0.95 0.00 4.80 3.64 -1.47 -1.46 116.57 122.69 1hqe h LYS 263 Ca 0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1hqe h LYS 263 Cb 0.51 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1hqe h LYS 263 CO 0.01 0.63 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.65 1hqe h LEU 264 N 0.98 0.00 -0.19 5.20 3.38 -1.20 -1.87 115.31 121.61 1hqe h LEU 264 Ca 0.38 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.15 1hqe h LEU 264 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1hqe h LEU 264 CO -0.17 0.10 -0.92 -1.13 0.09 0.00 0.00 178.44 176.41 1hqe h ASN 265 N 0.00 0.06 -0.16 -0.43 -1.24 -1.01 -2.79 115.58 110.02 1hqe h ASN 265 Ca -0.00 -0.06 -0.15 0.00 0.71 0.00 0.00 56.30 56.80 1hqe h ASN 265 Cb 0.54 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1hqe h ASN 265 CO 0.01 0.94 -0.48 -0.25 -1.29 0.00 0.00 177.43 176.37 1hqe h TRP 266 N 0.02 0.78 0.00 0.67 7.01 -1.25 -3.11 115.95 120.07 1hqe h TRP 266 Ca -0.02 -0.31 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1hqe h TRP 266 Cb 1.60 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1hqe h TRP 266 CO 0.01 1.09 0.00 0.00 -2.79 0.00 0.00 178.44 176.75 1hqe h ALA 267 N 0.55 1.00 0.00 2.65 0.00 -1.33 -1.34 119.26 120.79 1hqe h ALA 267 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hqe h ALA 267 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1hqe h ALA 267 CO 0.10 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.12 1hqe h SER 268 N 0.00 0.00 0.66 0.00 0.02 -1.42 -2.38 113.55 110.43 1hqe h SER 268 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1hqe h SER 268 Cb 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1hqe h SER 268 CO 0.00 0.00 -0.34 1.56 -1.14 0.00 0.00 176.83 176.91 1hqe h GLN 269 N 0.00 0.00 0.00 3.45 4.20 -1.37 -3.21 115.11 118.18 1hqe h GLN 269 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1hqe h GLN 269 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1hqe h GLN 269 CO 0.00 0.34 -0.83 0.82 -0.67 0.00 0.00 178.83 178.49 1hqe h ILE 270 N 0.00 0.62 -2.90 2.54 2.04 -1.63 -3.48 117.51 114.70 1hqe h ILE 270 Ca -0.00 -1.72 -0.18 0.00 1.00 0.00 0.00 64.86 63.95 1hqe h ILE 270 Cb 0.76 1.43 -0.30 0.00 -0.74 0.00 0.00 36.82 37.98 1hqe h ILE 270 CO 0.04 0.21 -0.46 -0.72 0.00 0.00 0.00 178.15 177.22 1hqe s TYR 271 N -2.26 -0.42 -1.29 1.37 -0.85 -0.92 -4.89 117.35 108.09 1hqe s TYR 271 Ca -0.22 0.95 0.00 0.00 -0.52 0.00 0.00 57.07 57.28 1hqe s TYR 271 Cb 0.04 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.44 1hqe s TYR 271 CO 0.44 -0.29 0.62 -0.35 -1.52 0.00 0.00 175.55 174.44 1hqe n PRO 272 N 4.59 0.96 -0.15 -3.49 -0.04 -1.24 -4.20 135.00 131.42 1hqe n PRO 272 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1hqe n PRO 272 Cb 0.52 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1hqe n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqe n GLY 273 N 0.15 1.87 3.16 0.55 0.00 -1.26 -4.66 105.19 105.00 1hqe n GLY 273 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1hqe n GLY 273 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1hqe s ILE 274 N 0.21 0.12 0.11 -0.61 2.07 -1.26 -4.62 121.20 117.23 1hqe s ILE 274 Ca 0.00 -0.97 0.10 0.00 -1.41 0.00 0.00 60.65 58.37 1hqe s ILE 274 Cb 0.00 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 1hqe s ILE 274 CO 0.00 -0.54 -0.25 -0.54 -1.91 0.00 0.00 174.94 171.70 1hqe s LYS 275 N -2.63 1.37 -0.12 3.50 -0.14 -1.26 -5.06 119.74 115.40 1hqe s LYS 275 Ca -0.05 -1.27 -0.04 0.00 -1.36 0.00 0.00 55.97 53.26 1hqe s LYS 275 Cb -0.01 -1.77 -0.25 0.00 -1.68 0.00 0.00 37.83 34.12 1hqe s LYS 275 CO -0.04 0.42 0.37 1.33 -0.76 0.00 0.00 175.35 176.67 1hqe n VAL 276 N 1.06 1.74 0.00 3.17 0.24 -1.26 -4.91 118.33 118.38 1hqe n VAL 276 Ca -0.18 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.45 1hqe n VAL 276 Cb 0.53 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 1hqe n VAL 276 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1hqe n ARG 277 N -3.41 0.00 -0.28 7.34 1.74 -1.26 -2.05 116.66 118.74 1hqe n ARG 277 Ca -0.31 0.00 0.28 0.00 -0.77 0.00 0.00 57.85 57.05 1hqe n ARG 277 Cb 1.05 0.00 0.64 0.00 -1.02 0.00 0.00 32.46 33.13 1hqe n ARG 277 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1hqe h GLN 278 N 0.00 0.17 0.00 5.56 1.08 -1.91 0.35 115.11 120.36 1hqe h GLN 278 Ca 0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1hqe h GLN 278 Cb 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1hqe h GLN 278 CO 0.00 0.11 -0.41 -0.07 -0.95 0.00 0.00 178.83 177.51 1hqe h LEU 279 N 0.17 0.00 0.00 1.46 3.38 -1.89 -2.58 115.31 115.85 1hqe h LEU 279 Ca 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.50 1hqe h LEU 279 Cb 1.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1hqe h LEU 279 CO -0.12 0.14 -0.68 -1.28 0.09 0.00 0.00 178.44 176.59 1hqe h SER 280 N 0.00 0.00 1.42 -0.43 0.87 -0.05 -3.13 113.55 112.22 1hqe h SER 280 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1hqe h SER 280 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1hqe h SER 280 CO 0.02 0.02 -0.42 0.11 -0.53 0.00 0.00 176.83 176.03 1hqe h LYS 281 N 0.00 0.00 0.00 2.24 6.56 -0.36 -2.95 116.57 122.06 1hqe h LYS 281 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1hqe h LYS 281 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1hqe h LYS 281 CO 0.00 0.00 -0.46 -0.11 -2.06 0.00 0.00 179.45 176.82 1hqe n LEU 282 N -2.67 0.48 0.07 2.94 0.00 -0.98 -3.45 117.00 113.39 1hqe n LEU 282 Ca 0.03 0.11 0.08 0.00 0.00 0.00 0.00 56.01 56.23 1hqe n LEU 282 Cb 0.51 -0.27 -0.04 0.00 0.00 0.00 0.00 43.42 43.62 1hqe n LEU 282 CO 0.36 0.07 -0.15 -0.11 0.00 0.00 0.00 177.39 177.56 1hqe n LEU 283 N -1.63 0.78 -4.60 -1.96 -0.00 -1.12 -4.89 117.00 103.58 1hqe n LEU 283 Ca 0.05 0.31 -0.43 0.00 -0.00 0.00 0.00 56.01 55.94 1hqe n LEU 283 Cb 0.36 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.74 1hqe n LEU 283 CO 0.34 -0.07 1.84 -1.14 -0.00 0.00 0.00 177.39 178.36 1hqe n ARG 284 N -2.71 1.98 0.00 1.96 0.63 -1.15 -4.62 116.66 112.75 1hqe n ARG 284 Ca -0.04 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1hqe n ARG 284 Cb 0.64 -3.19 0.00 0.00 0.45 0.00 0.00 32.46 30.36 1hqe n ARG 284 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hqe n GLY 285 N 5.73 0.05 0.46 5.14 0.00 -1.26 -4.95 105.19 110.35 1hqe n GLY 285 Ca 0.30 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1hqe n GLY 285 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hqe n THR 286 N 4.76 0.00 -1.68 2.61 -1.04 -1.26 -5.12 114.28 112.55 1hqe n THR 286 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1hqe n THR 286 Cb 0.00 0.05 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 1hqe n THR 286 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1hqe n LYS 287 N 0.00 2.76 -1.39 -2.82 5.02 -1.26 -4.90 118.16 115.57 1hqe n LYS 287 Ca 0.00 1.01 -0.45 0.00 -2.02 0.00 0.00 58.31 56.85 1hqe n LYS 287 Cb 0.52 -2.92 -0.02 0.00 -0.02 0.00 0.00 35.03 32.60 1hqe n LYS 287 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqe n ALA 288 N 6.23 -2.55 -0.13 7.82 0.00 -1.26 -4.89 120.51 125.73 1hqe n ALA 288 Ca 0.19 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 1hqe n ALA 288 Cb 0.38 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1hqe n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hqe h LEU 289 N 0.86 -1.45 -1.99 0.00 3.38 -1.96 -2.42 115.31 111.73 1hqe h LEU 289 Ca -0.33 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hqe h LEU 289 Cb 1.43 0.63 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1hqe h LEU 289 CO 0.54 -0.37 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1hqe n THR 290 N -5.41 0.41 -3.62 0.22 -2.24 -1.26 -2.17 114.28 100.20 1hqe n THR 290 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1hqe n THR 290 Cb 0.35 -0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 67.77 1hqe n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1hqe s GLU 291 N 0.56 2.80 -0.95 -0.78 2.12 -0.91 -4.94 118.70 116.60 1hqe s GLU 291 Ca 0.00 -1.09 -0.26 0.00 0.36 0.00 0.00 54.97 53.98 1hqe s GLU 291 Cb 0.00 -3.69 -0.21 0.00 0.26 0.00 0.00 34.13 30.49 1hqe s GLU 291 CO 0.00 -0.69 1.99 0.28 -0.54 0.00 0.00 175.26 176.30 1hqe n VAL 292 N 4.97 0.62 -2.95 3.70 0.31 -1.26 -2.48 118.33 121.23 1hqe n VAL 292 Ca -0.12 -0.63 -0.41 0.00 -0.01 0.00 0.00 64.34 63.17 1hqe n VAL 292 Cb 0.46 -2.06 -0.05 0.00 -0.91 0.00 0.00 33.84 31.28 1hqe n VAL 292 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1hqe s ILE 293 N 13.68 4.89 0.46 2.52 1.01 -1.25 -4.79 121.20 137.71 1hqe s ILE 293 Ca 0.75 1.46 -0.24 0.00 0.00 0.00 0.00 60.65 62.62 1hqe s ILE 293 Cb 0.00 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1hqe s ILE 293 CO 0.19 -0.03 1.26 -2.16 0.00 0.00 0.00 174.94 174.21 1hqe s PRO 294 N 2.62 3.70 -0.10 2.79 0.04 -1.24 -4.39 135.00 138.42 1hqe s PRO 294 Ca 0.33 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1hqe s PRO 294 Cb -0.15 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 1hqe s PRO 294 CO 0.08 -0.67 1.06 -0.48 0.04 0.00 0.00 177.00 177.03 1hqe s LEU 295 N -2.90 4.24 0.78 -3.56 -0.00 -1.26 -5.04 118.68 110.94 1hqe s LEU 295 Ca 0.63 1.59 -0.11 0.00 -0.00 0.00 0.00 54.13 56.24 1hqe s LEU 295 Cb -0.35 -3.56 0.06 0.00 -0.00 0.00 0.00 46.19 42.34 1hqe s LEU 295 CO 0.43 -0.50 1.09 0.42 -0.00 0.00 0.00 176.35 177.80 1hqe s THR 296 N 2.15 3.31 -1.31 5.48 -4.23 -1.26 -4.90 115.64 114.88 1hqe s THR 296 Ca 0.50 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.48 1hqe s THR 296 Cb -0.20 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.79 1hqe s THR 296 CO 0.18 -0.55 1.04 -1.84 -0.54 0.00 0.00 174.62 172.90 1hqe n GLU 297 N -3.53 0.05 -0.01 3.99 0.00 -1.26 -1.43 120.64 118.45 1hqe n GLU 297 Ca 0.09 0.29 0.08 0.00 0.00 0.00 0.00 57.16 57.62 1hqe n GLU 297 Cb 0.53 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.35 1hqe n GLU 297 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1hqe n GLU 298 N -1.35 0.75 0.15 3.44 0.28 -1.26 -4.37 120.64 118.28 1hqe n GLU 298 Ca 0.02 -0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.02 1hqe n GLU 298 Cb 0.04 -1.38 0.07 0.00 1.43 0.00 0.00 31.44 31.60 1hqe n GLU 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hqe h ALA 299 N 1.77 0.71 0.00 -1.84 0.00 -1.55 -3.21 119.26 115.13 1hqe h ALA 299 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1hqe h ALA 299 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1hqe h ALA 299 CO 0.00 0.00 -0.42 0.93 0.00 0.00 0.00 179.25 179.76 1hqe h GLU 300 N 0.00 0.00 0.00 0.00 4.39 -1.73 -2.73 114.58 114.50 1hqe h GLU 300 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1hqe h GLU 300 Cb 1.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1hqe h GLU 300 CO 0.00 0.42 -0.24 1.25 -1.16 0.00 0.00 179.01 179.29 1hqe h LEU 301 N 0.00 0.00 0.00 1.33 6.46 -1.75 -2.79 115.31 118.56 1hqe h LEU 301 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1hqe h LEU 301 Cb 1.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1hqe h LEU 301 CO 0.05 0.24 -0.64 -0.08 -0.62 0.00 0.00 178.44 177.39 1hqe h GLU 302 N 0.00 0.00 0.00 1.25 4.81 -1.51 -3.16 114.58 115.97 1hqe h GLU 302 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hqe h GLU 302 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1hqe h GLU 302 CO 0.03 0.17 -0.14 1.28 -0.73 0.00 0.00 179.01 179.62 1hqe n LEU 303 N -2.98 0.20 0.08 1.64 4.77 -1.06 -2.18 117.00 117.47 1hqe n LEU 303 Ca 0.00 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1hqe n LEU 303 Cb 0.64 -0.42 0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1hqe n LEU 303 CO 0.39 0.02 0.34 0.00 -1.33 0.00 0.00 177.39 176.81 1hqe h ALA 304 N 2.95 0.62 0.00 -1.18 0.00 -1.49 -2.81 119.26 117.34 1hqe h ALA 304 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1hqe h ALA 304 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1hqe h ALA 304 CO 0.00 0.00 -2.17 -1.91 0.00 0.00 0.00 179.25 175.17 1hqe n GLU 305 N -2.31 0.84 0.05 0.00 4.07 -1.20 -4.01 120.64 118.08 1hqe n GLU 305 Ca 0.03 -0.06 -0.03 0.00 -0.06 0.00 0.00 57.16 57.04 1hqe n GLU 305 Cb 0.47 -1.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.36 1hqe n GLU 305 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1hqe h ASN 306 N 0.00 -0.14 -0.36 4.31 4.21 -1.52 -2.89 115.58 119.20 1hqe h ASN 306 Ca -0.35 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.27 1hqe h ASN 306 Cb 1.78 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 39.00 1hqe h ASN 306 CO 0.02 0.04 0.26 0.03 -1.29 0.00 0.00 177.43 176.48 1hqe h ARG 307 N -0.43 0.00 0.35 0.81 3.08 -1.76 -2.74 114.38 113.69 1hqe h ARG 307 Ca -0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1hqe h ARG 307 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1hqe h ARG 307 CO 0.03 0.00 -0.17 0.93 -1.07 0.00 0.00 179.97 179.69 1hqe h GLU 308 N 0.00 -0.45 -0.93 0.04 4.39 -1.70 -3.18 114.58 112.75 1hqe h GLU 308 Ca 0.17 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1hqe h GLU 308 Cb 0.68 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1hqe h GLU 308 CO -0.00 -0.13 0.02 -0.89 -1.16 0.00 0.00 179.01 176.85 1hqe n ILE 309 N -5.15 0.67 -0.10 3.13 2.08 -1.05 -3.84 119.36 115.09 1hqe n ILE 309 Ca -0.10 -0.28 -0.19 0.00 0.56 0.00 0.00 62.75 62.74 1hqe n ILE 309 Cb 0.27 -0.53 -0.08 0.00 -0.75 0.00 0.00 39.64 38.56 1hqe n ILE 309 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1hqe n LEU 310 N 0.13 1.86 -3.65 1.39 4.77 -1.10 -4.66 117.00 115.75 1hqe n LEU 310 Ca 0.06 0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 1hqe n LEU 310 Cb 0.48 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1hqe n LEU 310 CO 0.07 0.53 1.95 2.29 -1.33 0.00 0.00 177.39 180.91 1hqe n LYS 311 N -3.67 4.61 -3.60 3.23 2.85 -1.24 -4.39 118.16 115.95 1hqe n LYS 311 Ca -0.38 -3.88 -0.12 0.00 -1.05 0.00 0.00 58.31 52.88 1hqe n LYS 311 Cb 0.80 -2.63 -0.06 0.00 -0.65 0.00 0.00 35.03 32.49 1hqe n LYS 311 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1hqe s GLU 312 N -1.80 0.68 0.41 -1.58 2.56 -1.26 -5.07 118.70 112.63 1hqe s GLU 312 Ca 0.45 0.43 -0.25 0.00 0.00 0.00 0.00 54.97 55.60 1hqe s GLU 312 Cb 0.15 0.32 -0.08 0.00 2.00 0.00 0.00 34.13 36.52 1hqe s GLU 312 CO -0.06 -0.16 1.24 -1.25 -0.56 0.00 0.00 175.26 174.48 1hqe s PRO 313 N -0.47 3.97 1.38 4.30 0.04 -1.26 -5.05 135.00 137.91 1hqe s PRO 313 Ca -0.01 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 1hqe s PRO 313 Cb -0.03 -2.70 0.35 0.00 0.04 0.00 0.00 34.50 32.17 1hqe s PRO 313 CO 0.00 -0.44 0.98 0.08 0.04 0.00 0.00 177.00 177.66 1hqe s VAL 314 N -1.33 1.27 0.08 -0.36 1.01 -1.26 -5.07 120.40 114.73 1hqe s VAL 314 Ca 0.58 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1hqe s VAL 314 Cb -0.35 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1hqe s VAL 314 CO 0.44 0.00 -0.13 -1.00 0.00 0.00 0.00 175.10 174.41 1hqe s HIS 315 N -2.48 2.67 0.00 5.22 3.76 -1.26 -4.55 115.29 118.64 1hqe s HIS 315 Ca 0.70 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1hqe s HIS 315 Cb -0.11 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1hqe s HIS 315 CO 0.57 0.36 0.00 0.41 -0.85 0.00 0.00 174.74 175.23 1hqe n GLY 316 N 1.06 0.72 3.50 -2.22 0.00 -1.26 -5.00 105.19 101.98 1hqe n GLY 316 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1hqe n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hqe s VAL 317 N -2.90 4.75 0.01 1.61 -7.23 -1.26 -5.04 120.40 110.35 1hqe s VAL 317 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1hqe s VAL 317 Cb 0.00 -4.30 -0.01 0.00 0.56 0.00 0.00 36.38 32.63 1hqe s VAL 317 CO 0.00 -0.75 -0.02 -0.72 -0.31 0.00 0.00 175.10 173.29 1hqe s TYR 318 N 3.01 0.21 -0.25 2.82 -0.85 -1.26 -5.07 117.35 115.96 1hqe s TYR 318 Ca 0.23 -0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 56.19 1hqe s TYR 318 Cb -0.15 -0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.04 1hqe s TYR 318 CO 0.18 -0.10 1.28 -0.47 -1.52 0.00 0.00 175.55 174.92 1hqe s TYR 319 N -0.81 2.76 -0.56 -3.49 5.04 -1.26 -4.99 117.35 114.04 1hqe s TYR 319 Ca -0.08 0.94 -0.11 0.00 -2.44 0.00 0.00 57.07 55.38 1hqe s TYR 319 Cb -0.06 -3.75 0.14 0.00 0.35 0.00 0.00 41.96 38.64 1hqe s TYR 319 CO -0.00 -1.66 0.45 0.34 -1.34 0.00 0.00 175.55 173.34 1hqe s ASP 320 N 2.47 5.92 0.58 4.32 -1.08 -1.26 -4.96 116.67 122.66 1hqe s ASP 320 Ca 0.55 -2.11 0.05 0.00 -0.52 0.00 0.00 52.55 50.52 1hqe s ASP 320 Cb -0.18 -2.07 0.30 0.00 -1.46 0.00 0.00 42.92 39.51 1hqe s ASP 320 CO 0.20 -0.67 1.11 -0.65 0.52 0.00 0.00 175.17 175.68 1hqe h PRO 321 N 8.28 0.00 0.02 4.34 0.11 -2.00 0.17 132.00 142.92 1hqe h PRO 321 Ca -0.16 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.73 1hqe h PRO 321 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1hqe h PRO 321 CO 0.87 0.00 -1.09 0.66 -0.21 0.00 0.00 178.00 178.22 1hqe h SER 322 N 0.00 0.05 -3.71 -2.05 4.64 -2.03 -3.47 113.55 106.99 1hqe h SER 322 Ca 0.00 -0.06 -0.49 0.00 -0.47 0.00 0.00 61.79 60.76 1hqe h SER 322 Cb 1.62 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1hqe h SER 322 CO 0.00 1.05 0.12 -0.54 -0.87 0.00 0.00 176.83 176.58 1hqe s LYS 323 N -2.69 3.83 0.37 4.77 1.02 0.59 -5.06 119.74 122.57 1hqe s LYS 323 Ca -0.00 0.52 -0.24 0.00 0.02 0.00 0.00 55.97 56.27 1hqe s LYS 323 Cb 0.09 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.91 1hqe s LYS 323 CO 0.83 0.00 0.97 -0.51 -0.92 0.00 0.00 175.35 175.73 1hqe s ASP 324 N -2.95 7.08 0.11 2.83 1.11 -1.26 -4.92 116.67 118.66 1hqe s ASP 324 Ca 0.52 1.85 -0.19 0.00 0.18 0.00 0.00 52.55 54.91 1hqe s ASP 324 Cb -0.10 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.25 1hqe s ASP 324 CO 0.28 -0.26 0.60 -0.76 1.18 0.00 0.00 175.17 176.21 1hqe s LEU 325 N -2.52 4.49 0.05 1.23 1.43 -1.26 -4.48 118.68 117.63 1hqe s LEU 325 Ca 0.55 1.29 0.09 0.00 -1.03 0.00 0.00 54.13 55.03 1hqe s LEU 325 Cb -0.17 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1hqe s LEU 325 CO 0.22 0.22 -0.25 -0.63 0.23 0.00 0.00 176.35 176.14 1hqe s ILE 326 N -1.20 2.06 -0.02 -0.59 1.09 0.17 -0.24 121.20 122.47 1hqe s ILE 326 Ca 0.32 -1.39 0.04 0.00 -1.10 0.00 0.00 60.65 58.52 1hqe s ILE 326 Cb -0.19 -1.77 -0.01 0.00 -1.06 0.00 0.00 42.46 39.43 1hqe s ILE 326 CO 0.20 0.31 -0.16 0.00 -0.10 0.00 0.00 174.94 175.19 1hqe s ALA 327 N -0.83 1.33 -0.04 9.38 0.00 0.48 -1.18 121.76 130.90 1hqe s ALA 327 Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1hqe s ALA 327 Cb -0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1hqe s ALA 327 CO 0.02 0.29 -0.15 -1.21 0.00 0.00 0.00 175.76 174.71 1hqe s GLU 328 N -0.20 1.60 0.11 0.00 2.02 -0.66 -0.14 118.70 121.42 1hqe s GLU 328 Ca 0.02 -0.55 0.10 0.00 0.02 0.00 0.00 54.97 54.56 1hqe s GLU 328 Cb -0.08 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 1hqe s GLU 328 CO 0.00 0.22 -0.25 0.42 0.02 0.00 0.00 175.26 175.68 1hqe s ILE 329 N 0.06 2.03 -0.01 -1.63 1.01 -1.23 -1.56 121.20 119.87 1hqe s ILE 329 Ca -0.03 -1.61 0.03 0.00 0.00 0.00 0.00 60.65 59.03 1hqe s ILE 329 Cb -0.11 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.56 1hqe s ILE 329 CO 0.02 0.08 -0.09 -1.10 0.00 0.00 0.00 174.94 173.85 1hqe s GLN 330 N -1.86 0.77 0.00 2.79 1.11 0.24 -4.43 119.66 118.28 1hqe s GLN 330 Ca 0.11 -0.31 0.00 0.00 0.01 0.00 0.00 55.36 55.17 1hqe s GLN 330 Cb -0.10 -0.74 0.00 0.00 -1.01 0.00 0.00 33.01 31.16 1hqe s GLN 330 CO 0.05 0.17 0.76 1.17 0.01 0.00 0.00 175.29 177.44 1hqe n LYS 331 N 2.98 0.91 -0.86 2.91 4.81 -1.26 -0.27 118.16 127.37 1hqe n LYS 331 Ca -0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.22 1hqe n LYS 331 Cb 0.56 -1.18 -0.02 0.00 0.02 0.00 0.00 35.03 34.41 1hqe n LYS 331 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1hqe n GLN 332 N 0.38 0.00 0.00 1.64 6.02 -1.25 -4.58 117.38 119.58 1hqe n GLN 332 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1hqe n GLN 332 Cb 0.38 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1hqe n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hqe n GLY 333 N 3.67 4.11 0.19 1.08 0.00 -1.24 -4.32 105.19 108.68 1hqe n GLY 333 Ca 0.07 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.60 1hqe n GLY 333 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1hqe h GLN 334 N 0.00 0.00 0.00 1.61 3.07 -2.03 -3.25 115.11 114.51 1hqe h GLN 334 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 1hqe h GLN 334 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 1hqe h GLN 334 CO 0.00 0.35 -1.79 0.41 0.09 0.00 0.00 178.83 177.89 1hqe n GLY 335 N -0.45 -0.37 3.85 0.06 0.00 -1.26 -5.01 105.19 102.01 1hqe n GLY 335 Ca -0.02 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1hqe n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqe s GLN 336 N -2.28 3.31 -0.16 1.61 -0.21 -1.23 -4.28 119.66 116.44 1hqe s GLN 336 Ca -0.12 0.85 -0.10 0.00 0.02 0.00 0.00 55.36 56.00 1hqe s GLN 336 Cb 0.04 -2.04 0.05 0.00 1.00 0.00 0.00 33.01 32.06 1hqe s GLN 336 CO 0.39 -0.80 0.39 -1.58 -2.12 0.00 0.00 175.29 171.57 1hqe s TRP 337 N -3.10 -0.52 0.23 0.91 0.52 0.14 -3.73 118.94 113.39 1hqe s TRP 337 Ca 0.57 1.15 0.10 0.00 0.02 0.00 0.00 56.10 57.94 1hqe s TRP 337 Cb -0.12 0.20 -0.04 0.00 -1.15 0.00 0.00 33.47 32.36 1hqe s TRP 337 CO 0.54 -0.29 -0.12 0.95 0.02 0.00 0.00 176.95 178.05 1hqe s THR 338 N 0.98 2.97 0.12 2.01 -4.23 0.63 0.71 115.64 118.82 1hqe s THR 338 Ca -0.06 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.37 1hqe s THR 338 Cb -0.07 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1hqe s THR 338 CO -0.08 -0.25 0.30 -0.72 -0.54 0.00 0.00 174.62 173.34 1hqe s TYR 339 N -2.05 0.03 -0.00 3.99 -0.85 -0.97 -0.59 117.35 116.91 1hqe s TYR 339 Ca 0.27 -0.40 -0.06 0.00 -0.52 0.00 0.00 57.07 56.36 1hqe s TYR 339 Cb -0.07 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.36 1hqe s TYR 339 CO 0.16 -0.65 0.12 -0.65 -1.52 0.00 0.00 175.55 173.01 1hqe s GLN 340 N -3.85 0.43 -0.04 -3.49 1.11 -0.60 -1.53 119.66 111.68 1hqe s GLN 340 Ca 0.06 -0.34 0.02 0.00 0.01 0.00 0.00 55.36 55.10 1hqe s GLN 340 Cb 0.03 0.18 0.01 0.00 -1.01 0.00 0.00 33.01 32.22 1hqe s GLN 340 CO -0.10 -0.10 -0.09 0.42 0.01 0.00 0.00 175.29 175.44 1hqe s ILE 341 N -1.21 0.81 0.34 1.08 1.09 -0.02 -1.66 121.20 121.64 1hqe s ILE 341 Ca -0.13 -0.33 -0.09 0.00 -1.10 0.00 0.00 60.65 59.01 1hqe s ILE 341 Cb -0.07 -0.76 0.04 0.00 -1.06 0.00 0.00 42.46 40.61 1hqe s ILE 341 CO 0.01 0.27 0.60 0.00 -0.10 0.00 0.00 174.94 175.73 1hqe n TYR 342 N 3.65 -1.89 0.00 3.97 0.18 -0.33 -0.33 117.16 122.41 1hqe n TYR 342 Ca -0.22 -1.85 0.00 0.00 1.88 0.00 0.00 57.90 57.71 1hqe n TYR 342 Cb 0.52 0.70 0.00 0.00 -0.38 0.00 0.00 39.34 40.19 1hqe n TYR 342 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1hqe n GLN 343 N -0.50 1.35 -5.08 -3.48 6.02 -1.26 0.44 117.38 114.88 1hqe n GLN 343 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.65 1hqe n GLN 343 Cb 0.53 -0.81 -0.17 0.00 1.02 0.00 0.00 30.24 30.81 1hqe n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1hqe s GLU 344 N -1.63 2.43 0.13 -1.09 8.01 -1.26 -4.83 118.70 120.46 1hqe s GLU 344 Ca 0.00 -0.78 -0.34 0.00 0.01 0.00 0.00 54.97 53.87 1hqe s GLU 344 Cb 0.00 -1.98 -0.17 0.00 -4.31 0.00 0.00 34.13 27.67 1hqe s GLU 344 CO 0.00 0.25 1.06 -0.35 0.01 0.00 0.00 175.26 176.23 1hqe n PRO 345 N 3.25 0.74 0.00 0.39 -0.04 -1.26 -1.19 135.00 136.90 1hqe n PRO 345 Ca -0.19 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1hqe n PRO 345 Cb 0.52 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1hqe n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1hqe n PHE 346 N 1.33 0.00 -2.18 0.54 3.01 -1.26 -4.84 117.46 114.06 1hqe n PHE 346 Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 1hqe n PHE 346 Cb 0.21 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1hqe n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1hqe n LYS 347 N -1.79 3.37 -2.17 -1.08 4.76 -0.33 -4.79 118.16 116.13 1hqe n LYS 347 Ca 0.00 -3.25 -0.36 0.00 -2.87 0.00 0.00 58.31 51.83 1hqe n LYS 347 Cb 0.00 -3.05 0.01 0.00 -1.84 0.00 0.00 35.03 30.15 1hqe n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1hqe s ASN 348 N 1.71 5.71 -0.05 4.39 0.01 -1.26 -4.08 114.94 121.37 1hqe s ASN 348 Ca 0.42 2.31 0.02 0.00 -0.71 0.00 0.00 52.86 54.90 1hqe s ASN 348 Cb 0.10 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1hqe s ASN 348 CO -0.02 -1.23 -0.03 0.18 -1.51 0.00 0.00 177.10 174.48 1hqe n LEU 349 N -1.09 2.10 -3.73 0.60 4.77 0.55 -4.91 117.00 115.29 1hqe n LEU 349 Ca 0.11 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1hqe n LEU 349 Cb 0.49 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1hqe n LEU 349 CO 0.45 0.45 0.08 -0.75 -1.33 0.00 0.00 177.39 176.30 1hqe s LYS 350 N -2.11 0.57 -0.04 3.23 2.47 -1.14 -5.00 119.74 117.72 1hqe s LYS 350 Ca -0.06 0.30 -0.02 0.00 -1.56 0.00 0.00 55.97 54.63 1hqe s LYS 350 Cb 0.02 0.27 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 1hqe s LYS 350 CO 0.15 -0.11 0.06 0.95 0.16 0.00 0.00 175.35 176.56 1hqe s THR 351 N -0.37 -0.11 0.00 3.43 -4.23 -1.26 -0.84 115.64 112.26 1hqe s THR 351 Ca -0.05 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1hqe s THR 351 Cb -0.03 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.66 1hqe s THR 351 CO 0.02 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1hqe n GLY 352 N 5.11 4.34 2.99 3.99 0.00 -0.58 -0.17 105.19 120.88 1hqe n GLY 352 Ca -0.07 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1hqe n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hqe s LYS 353 N -1.39 0.33 -0.07 1.61 2.36 -1.26 -2.29 119.74 119.02 1hqe s LYS 353 Ca 0.00 -0.57 -0.01 0.00 -2.55 0.00 0.00 55.97 52.84 1hqe s LYS 353 Cb 0.00 0.12 0.03 0.00 -1.05 0.00 0.00 37.83 36.93 1hqe s LYS 353 CO 0.00 -0.06 -0.02 -0.47 1.55 0.00 0.00 175.35 176.35 1hqe s TYR 354 N -1.42 0.82 -0.35 4.03 5.04 0.22 -4.98 117.35 120.71 1hqe s TYR 354 Ca -0.15 -0.27 0.15 0.00 -2.44 0.00 0.00 57.07 54.36 1hqe s TYR 354 Cb -0.09 -0.85 0.45 0.00 0.35 0.00 0.00 41.96 41.82 1hqe s TYR 354 CO -0.01 -0.33 0.98 0.00 -1.34 0.00 0.00 175.55 174.85 1hqe n ALA 355 N 4.90 3.74 -1.48 3.97 0.00 -1.26 -0.68 120.51 129.70 1hqe n ALA 355 Ca -0.11 -3.41 -0.34 0.00 0.00 0.00 0.00 53.44 49.58 1hqe n ALA 355 Cb 0.50 -0.85 0.05 0.00 0.00 0.00 0.00 19.45 19.15 1hqe n ALA 355 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1hqe n ARG 356 N -0.14 2.59 0.00 0.00 1.85 -1.26 -4.16 116.66 115.53 1hqe n ARG 356 Ca 0.16 -3.10 0.09 0.00 -1.00 0.00 0.00 57.85 54.01 1hqe n ARG 356 Cb 0.78 -2.20 -0.09 0.00 -1.05 0.00 0.00 32.46 29.90 1hqe n ARG 356 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1hqe n MET 357 N -0.51 0.67 0.00 2.89 0.00 -1.26 -2.63 117.12 116.28 1hqe n MET 357 Ca 0.55 -0.19 -0.07 0.00 0.00 0.00 0.00 57.70 57.99 1hqe n MET 357 Cb 0.51 -1.43 -0.13 0.00 0.00 0.00 0.00 33.22 32.17 1hqe n MET 357 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 1hqe h ARG 358 N 0.45 0.00 0.00 0.03 -0.00 -1.90 -3.40 114.38 109.56 1hqe h ARG 358 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1hqe h ARG 358 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 1hqe h ARG 358 CO 0.00 0.59 -0.09 0.78 -0.00 0.00 0.00 179.97 181.24 1hqe h GLY 359 N 3.41 0.00 -2.91 0.08 0.00 -1.85 -3.47 103.07 98.34 1hqe h GLY 359 Ca -0.21 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.64 1hqe h GLY 359 CO 0.09 0.00 0.22 0.00 0.00 0.00 0.00 176.54 176.84 1hqe s ALA 360 N -2.74 3.25 0.63 3.60 0.00 -1.08 -5.03 121.76 120.38 1hqe s ALA 360 Ca -0.03 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1hqe s ALA 360 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1hqe s ALA 360 CO 0.04 0.25 0.94 -2.39 0.00 0.00 0.00 175.76 174.60 1hqe n HIS 361 N 0.06 0.72 -1.85 0.00 1.44 -1.26 -4.42 115.22 109.90 1hqe n HIS 361 Ca 0.02 0.42 -0.21 0.00 -2.01 0.00 0.00 57.72 55.94 1hqe n HIS 361 Cb 0.52 -2.12 -0.07 0.00 0.12 0.00 0.00 29.99 28.44 1hqe n HIS 361 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1hqe s THR 362 N -1.57 3.29 -0.03 0.61 2.01 -1.26 -4.85 115.64 113.83 1hqe s THR 362 Ca 0.76 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 1hqe s THR 362 Cb -0.40 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.13 1hqe s THR 362 CO 0.47 -0.55 0.05 0.21 -0.69 0.00 0.00 174.62 174.11 1hqe s ASN 363 N 8.20 0.23 -0.04 3.53 3.84 -1.26 -5.09 114.94 124.35 1hqe s ASN 363 Ca 0.77 0.07 -0.24 0.00 0.21 0.00 0.00 52.86 53.67 1hqe s ASN 363 Cb -0.05 -0.05 -0.18 0.00 -0.55 0.00 0.00 41.25 40.41 1hqe s ASN 363 CO 0.10 -0.15 1.05 0.44 -2.79 0.00 0.00 177.10 175.76 1hqe h ASP 364 N 7.49 -0.12 -0.26 -4.21 5.19 -1.99 -2.61 116.42 119.91 1hqe h ASP 364 Ca -0.40 -0.43 0.04 0.00 -0.62 0.00 0.00 57.03 55.63 1hqe h ASP 364 Cb 1.12 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 1hqe h ASP 364 CO 0.42 0.42 -0.00 0.58 -3.12 0.00 0.00 179.24 177.53 1hqe h VAL 365 N -0.72 0.81 -0.40 -1.35 2.07 -1.98 0.18 116.25 114.87 1hqe h VAL 365 Ca -0.01 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1hqe h VAL 365 Cb 0.54 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1hqe h VAL 365 CO 0.02 0.01 -0.06 0.50 0.02 0.00 0.00 177.57 178.07 1hqe h LYS 366 N 0.07 0.04 -0.51 1.57 3.64 -1.97 0.55 116.57 119.97 1hqe h LYS 366 Ca 0.12 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1hqe h LYS 366 Cb 0.16 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1hqe h LYS 366 CO -0.21 0.02 0.21 1.96 -2.27 0.00 0.00 179.45 179.16 1hqe h GLN 367 N 0.04 0.40 0.18 1.90 4.20 -0.90 0.28 115.11 121.21 1hqe h GLN 367 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1hqe h GLN 367 Cb 0.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1hqe h GLN 367 CO -0.38 0.26 -0.09 1.25 -0.67 0.00 0.00 178.83 179.21 1hqe h LEU 368 N 0.41 -0.20 0.17 1.46 5.85 0.11 -0.45 115.31 122.66 1hqe h LEU 368 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1hqe h LEU 368 Cb 0.22 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1hqe h LEU 368 CO -0.21 -0.14 -0.16 0.74 -0.34 0.00 0.00 178.44 178.33 1hqe h THR 369 N -0.25 0.65 -0.94 1.05 2.02 0.48 0.48 112.91 116.40 1hqe h THR 369 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1hqe h THR 369 Cb 0.19 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 1hqe h THR 369 CO 0.04 0.00 0.58 -0.33 0.37 0.00 0.00 175.52 176.18 1hqe h GLU 370 N -0.35 0.93 -0.44 6.66 5.08 -0.36 -1.23 114.58 124.86 1hqe h GLU 370 Ca 0.00 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1hqe h GLU 370 Cb 0.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1hqe h GLU 370 CO -0.04 0.61 -0.25 0.00 -1.00 0.00 0.00 179.01 178.34 1hqe h ALA 371 N 1.49 0.71 -0.45 3.43 0.00 -0.13 -0.90 119.26 123.41 1hqe h ALA 371 Ca 0.45 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1hqe h ALA 371 Cb 0.38 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1hqe h ALA 371 CO -0.24 0.67 0.17 0.28 0.00 0.00 0.00 179.25 180.13 1hqe h VAL 372 N 0.80 0.88 0.47 0.00 2.07 0.11 0.71 116.25 121.29 1hqe h VAL 372 Ca 0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1hqe h VAL 372 Cb 0.82 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1hqe h VAL 372 CO 0.07 0.07 -0.23 1.56 0.02 0.00 0.00 177.57 179.06 1hqe h GLN 373 N 0.36 -0.61 -0.91 1.57 4.20 -1.19 -0.49 115.11 118.03 1hqe h GLN 373 Ca 0.21 0.04 0.26 0.00 0.06 0.00 0.00 58.65 59.22 1hqe h GLN 373 Cb 0.18 0.14 -0.15 0.00 0.30 0.00 0.00 27.48 27.95 1hqe h GLN 373 CO -0.20 -0.32 0.22 -0.22 -0.67 0.00 0.00 178.83 177.64 1hqe h LYS 374 N -0.84 0.14 -0.34 1.46 3.64 -0.75 0.60 116.57 120.49 1hqe h LYS 374 Ca -0.06 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1hqe h LYS 374 Cb 0.57 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1hqe h LYS 374 CO 0.11 0.09 -0.14 0.82 -2.27 0.00 0.00 179.45 178.06 1hqe h ILE 375 N 0.15 1.29 -0.36 2.00 2.04 -0.75 -1.48 117.51 120.38 1hqe h ILE 375 Ca 0.59 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1hqe h ILE 375 Cb 1.25 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1hqe h ILE 375 CO -0.72 0.40 0.04 0.74 0.00 0.00 0.00 178.15 178.61 1hqe h THR 376 N 0.47 1.25 -0.45 -0.27 2.02 0.18 0.26 112.91 116.36 1hqe h THR 376 Ca 0.08 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1hqe h THR 376 Cb 0.67 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1hqe h THR 376 CO 0.05 0.30 0.26 0.71 0.37 0.00 0.00 175.52 177.20 1hqe h THR 377 N 0.44 1.15 -0.37 3.16 1.35 -0.96 0.11 112.91 117.79 1hqe h THR 377 Ca 0.11 -0.37 0.07 0.00 -0.55 0.00 0.00 66.41 65.66 1hqe h THR 377 Cb 0.40 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 1hqe h THR 377 CO 0.01 0.16 0.25 -0.08 -0.25 0.00 0.00 175.52 175.61 1hqe h GLU 378 N 0.59 0.19 0.01 4.72 4.81 -0.98 0.19 114.58 124.11 1hqe h GLU 378 Ca 0.16 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.12 1hqe h GLU 378 Cb 0.03 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1hqe h GLU 378 CO -0.03 0.13 -1.02 1.03 -0.73 0.00 0.00 179.01 178.39 1hqe h SER 379 N 0.20 0.76 0.79 1.04 0.87 0.16 -2.93 113.55 114.44 1hqe h SER 379 Ca 0.17 -0.62 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1hqe h SER 379 Cb 0.41 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1hqe h SER 379 CO -0.03 1.42 -0.38 0.40 -0.53 0.00 0.00 176.83 177.71 1hqe h ILE 380 N 0.32 0.08 -1.09 2.23 2.04 0.10 0.21 117.51 121.40 1hqe h ILE 380 Ca -0.11 -0.18 0.30 0.00 1.00 0.00 0.00 64.86 65.87 1hqe h ILE 380 Cb 1.67 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1hqe h ILE 380 CO 0.19 0.01 0.75 0.58 0.00 0.00 0.00 178.15 179.68 1hqe h VAL 381 N -1.23 0.47 0.08 1.67 2.07 -1.25 1.12 116.25 119.18 1hqe h VAL 381 Ca -0.11 -0.05 -0.35 0.00 0.82 0.00 0.00 66.70 67.01 1hqe h VAL 381 Cb 0.83 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1hqe h VAL 381 CO 0.18 0.03 -1.95 -0.38 0.02 0.00 0.00 177.57 175.47 1hqe n ILE 382 N -4.37 1.68 0.01 4.57 5.41 -1.10 -4.01 119.36 121.56 1hqe n ILE 382 Ca 0.25 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1hqe n ILE 382 Cb 1.07 -1.76 -0.01 0.00 -0.71 0.00 0.00 39.64 38.23 1hqe n ILE 382 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1hqe n TRP 383 N -3.69 0.00 -2.46 1.39 8.01 0.70 -4.97 117.44 116.42 1hqe n TRP 383 Ca -0.35 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.84 1hqe n TRP 383 Cb 0.96 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 30.25 1hqe n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1hqe n GLY 384 N 1.90 0.92 3.54 6.99 0.00 0.38 -4.94 105.19 113.99 1hqe n GLY 384 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1hqe n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hqe s LYS 385 N -4.91 1.36 0.05 1.61 2.20 -1.25 -4.95 119.74 113.85 1hqe s LYS 385 Ca 0.00 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 1hqe s LYS 385 Cb 0.00 0.57 -0.05 0.00 -1.51 0.00 0.00 37.83 36.84 1hqe s LYS 385 CO 0.00 -0.61 0.29 0.95 -0.36 0.00 0.00 175.35 175.63 1hqe s THR 386 N -3.73 5.27 0.23 3.43 -4.23 -1.26 -2.99 115.64 112.37 1hqe s THR 386 Ca 0.04 0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1hqe s THR 386 Cb -0.02 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1hqe s THR 386 CO -0.07 0.24 0.43 -2.84 -0.54 0.00 0.00 174.62 171.84 1hqe s PRO 387 N -2.12 3.52 -0.30 3.99 0.02 -1.26 -4.57 135.00 134.28 1hqe s PRO 387 Ca 0.32 -0.33 -0.27 0.00 0.02 0.00 0.00 61.00 60.74 1hqe s PRO 387 Cb -0.13 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.61 1hqe s PRO 387 CO 0.20 0.35 0.97 0.21 -0.33 0.00 0.00 177.00 178.40 1hqe s LYS 388 N -3.54 4.06 0.15 5.54 2.36 0.67 -4.09 119.74 124.89 1hqe s LYS 388 Ca 0.39 0.95 -0.14 0.00 -2.55 0.00 0.00 55.97 54.62 1hqe s LYS 388 Cb -0.11 -3.72 -0.07 0.00 -1.05 0.00 0.00 37.83 32.89 1hqe s LYS 388 CO 0.30 -0.78 0.55 -0.06 1.55 0.00 0.00 175.35 176.91 1hqe s PHE 389 N 3.33 3.60 -0.39 4.03 0.40 0.56 -0.39 117.98 129.12 1hqe s PHE 389 Ca 0.41 1.06 -0.04 0.00 -0.60 0.00 0.00 56.93 57.75 1hqe s PHE 389 Cb -0.13 -2.37 0.09 0.00 0.51 0.00 0.00 43.02 41.12 1hqe s PHE 389 CO 0.13 0.43 0.18 0.15 0.70 0.00 0.00 175.22 176.80 1hqe s LYS 390 N -1.97 2.23 -0.34 0.44 1.02 0.80 0.14 119.74 122.05 1hqe s LYS 390 Ca 0.38 -1.63 -0.16 0.00 0.02 0.00 0.00 55.97 54.58 1hqe s LYS 390 Cb -0.15 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1hqe s LYS 390 CO 0.19 -0.96 0.40 -0.51 -0.92 0.00 0.00 175.35 173.55 1hqe s LEU 391 N 1.23 4.40 -0.39 3.17 1.43 0.25 -3.48 118.68 125.29 1hqe s LEU 391 Ca 0.04 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1hqe s LEU 391 Cb -0.22 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1hqe s LEU 391 CO -0.02 -0.37 1.49 -0.81 0.23 0.00 0.00 176.35 176.87 1hqe n PRO 392 N 5.48 0.92 -3.61 1.29 -0.04 -1.26 -2.79 135.00 134.99 1hqe n PRO 392 Ca -0.08 -0.89 -0.11 0.00 -0.04 0.00 0.00 63.50 62.39 1hqe n PRO 392 Cb 0.49 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 1hqe n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1hqe s ILE 393 N 4.13 0.04 0.08 0.52 2.07 -1.26 -5.02 121.20 121.77 1hqe s ILE 393 Ca 0.18 -0.48 -0.24 0.00 -1.41 0.00 0.00 60.65 58.70 1hqe s ILE 393 Cb 0.05 -1.23 -0.06 0.00 0.13 0.00 0.00 42.46 41.34 1hqe s ILE 393 CO -0.01 -0.18 0.74 -1.10 -1.91 0.00 0.00 174.94 172.47 1hqe s GLN 394 N -3.81 4.48 0.00 3.50 -1.52 -1.26 -4.41 119.66 116.64 1hqe s GLN 394 Ca 0.04 1.04 0.00 0.00 -1.95 0.00 0.00 55.36 54.49 1hqe s GLN 394 Cb 0.00 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.48 1hqe s GLN 394 CO -0.10 0.42 0.69 1.17 -0.25 0.00 0.00 175.29 177.22 1hqe n LYS 395 N 2.31 0.00 -0.52 2.91 4.81 -1.26 -0.11 118.16 126.30 1hqe n LYS 395 Ca -0.05 0.69 0.44 0.00 -0.87 0.00 0.00 58.31 58.53 1hqe n LYS 395 Cb 0.50 -1.16 0.78 0.00 0.02 0.00 0.00 35.03 35.17 1hqe n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1hqe h GLU 396 N 0.00 0.01 0.36 1.64 3.07 -1.98 -0.29 114.58 117.39 1hqe h GLU 396 Ca 0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1hqe h GLU 396 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1hqe h GLU 396 CO 0.00 0.01 -0.17 1.15 -1.40 0.00 0.00 179.01 178.59 1hqe h THR 397 N 0.01 0.46 0.15 1.13 2.02 -0.91 -3.07 112.91 112.70 1hqe h THR 397 Ca 0.76 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1hqe h THR 397 Cb 3.01 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 70.12 1hqe h THR 397 CO -0.03 0.09 -0.15 -0.25 0.37 0.00 0.00 175.52 175.55 1hqe h TRP 398 N -0.95 -0.40 -0.14 3.16 2.91 -0.49 -2.57 115.95 117.48 1hqe h TRP 398 Ca -0.05 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.01 1hqe h TRP 398 Cb 0.53 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1hqe h TRP 398 CO 0.03 -0.24 0.55 0.93 -1.03 0.00 0.00 178.44 178.69 1hqe h GLU 399 N -0.33 0.00 -0.37 2.65 5.08 -1.35 0.00 114.58 120.25 1hqe h GLU 399 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1hqe h GLU 399 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1hqe h GLU 399 CO -0.05 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.21 1hqe n THR 400 N -2.96 0.58 0.00 1.13 -2.24 -0.97 -4.77 114.28 105.05 1hqe n THR 400 Ca 0.02 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1hqe n THR 400 Cb 0.63 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1hqe n THR 400 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1hqe n TRP 401 N 1.23 0.00 -0.32 4.78 7.02 -0.05 -4.94 117.44 125.16 1hqe n TRP 401 Ca 0.17 0.00 0.23 0.00 -1.02 0.00 0.00 57.50 56.88 1hqe n TRP 401 Cb 0.54 0.00 0.45 0.00 -2.42 0.00 0.00 31.31 29.87 1hqe n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 1hqe h TRP 402 N 0.00 0.65 -0.72 -5.99 5.08 -1.77 0.15 115.95 113.35 1hqe h TRP 402 Ca 0.00 0.05 0.08 0.00 1.08 0.00 0.00 58.89 60.10 1hqe h TRP 402 Cb 0.00 -0.13 -0.07 0.00 -3.00 0.00 0.00 29.16 25.97 1hqe h TRP 402 CO 0.00 -0.31 0.38 1.79 -1.28 0.00 0.00 178.44 179.03 1hqe h THR 403 N 0.16 0.90 0.00 0.12 1.35 -1.92 0.25 112.91 113.77 1hqe h THR 403 Ca 0.71 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1hqe h THR 403 Cb 1.68 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1hqe h THR 403 CO -0.71 0.12 0.01 -0.08 -0.25 0.00 0.00 175.52 174.62 1hqe h GLU 404 N 0.67 0.00 0.00 4.72 4.57 -1.06 -2.39 114.58 121.09 1hqe h GLU 404 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1hqe h GLU 404 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1hqe h GLU 404 CO -0.24 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.25 1hqe n TYR 405 N -2.35 0.00 -2.41 0.92 4.02 -0.41 -5.06 117.16 111.87 1hqe n TYR 405 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.48 1hqe n TYR 405 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1hqe n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1hqe s TRP 406 N -0.24 3.34 0.00 -0.72 -0.11 0.74 -4.78 118.94 117.17 1hqe s TRP 406 Ca 0.00 1.63 0.00 0.00 1.22 0.00 0.00 56.10 58.95 1hqe s TRP 406 Cb 0.00 -3.31 0.00 0.00 -1.50 0.00 0.00 33.47 28.66 1hqe s TRP 406 CO 0.00 -0.87 0.06 1.04 -4.62 0.00 0.00 176.95 172.56 1hqe n GLN 407 N 0.61 0.35 -3.06 5.86 6.02 -1.26 -4.87 117.38 121.03 1hqe n GLN 407 Ca 0.02 -0.06 -0.26 0.00 -0.01 0.00 0.00 57.00 56.69 1hqe n GLN 407 Cb 0.46 -0.40 -0.01 0.00 1.02 0.00 0.00 30.24 31.31 1hqe n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hqe s ALA 408 N -0.07 3.56 -0.55 -1.58 0.00 -1.26 -4.99 121.76 116.87 1hqe s ALA 408 Ca 0.00 -0.70 0.26 0.00 0.00 0.00 0.00 51.96 51.52 1hqe s ALA 408 Cb 0.00 -2.34 0.78 0.00 0.00 0.00 0.00 23.12 21.56 1hqe s ALA 408 CO 0.00 -0.13 1.75 1.79 0.00 0.00 0.00 175.76 179.16 1hqe h THR 409 N 0.60 0.00 -1.27 0.00 1.35 -2.00 -3.45 112.91 108.14 1hqe h THR 409 Ca -0.48 -0.55 -0.58 0.00 -0.55 0.00 0.00 66.41 64.24 1hqe h THR 409 Cb 1.21 1.51 -0.09 0.00 -1.73 0.00 0.00 68.15 69.05 1hqe h THR 409 CO 0.62 0.00 -0.47 -1.66 -0.25 0.00 0.00 175.52 173.76 1hqe s TRP 410 N -3.21 2.35 -0.18 4.73 1.48 -1.26 -4.76 118.94 118.09 1hqe s TRP 410 Ca 0.08 -0.68 -0.04 0.00 -1.06 0.00 0.00 56.10 54.40 1hqe s TRP 410 Cb 0.10 -1.91 0.08 0.00 -1.16 0.00 0.00 33.47 30.58 1hqe s TRP 410 CO 0.57 0.09 0.20 0.42 -4.06 0.00 0.00 176.95 174.17 1hqe s ILE 411 N -2.67 -0.30 1.09 0.66 1.01 -1.26 -5.02 121.20 114.72 1hqe s ILE 411 Ca 0.35 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.82 1hqe s ILE 411 Cb 0.03 -0.60 0.24 0.00 0.01 0.00 0.00 42.46 42.13 1hqe s ILE 411 CO 0.20 -0.15 1.09 -2.16 0.00 0.00 0.00 174.94 173.92 1hqe s PRO 412 N 2.31 -0.34 0.10 2.79 0.04 -1.26 -4.84 135.00 133.80 1hqe s PRO 412 Ca 0.06 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.15 1hqe s PRO 412 Cb -0.15 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1hqe s PRO 412 CO -0.11 -3.21 0.89 -2.00 0.04 0.00 0.00 177.00 172.62 1hqe s GLU 413 N -5.06 4.64 0.03 4.56 2.56 -1.26 -4.99 118.70 119.19 1hqe s GLU 413 Ca 0.67 1.32 0.01 0.00 0.00 0.00 0.00 54.97 56.97 1hqe s GLU 413 Cb -0.16 -3.36 -0.02 0.00 2.00 0.00 0.00 34.13 32.58 1hqe s GLU 413 CO 0.58 0.27 -0.04 1.67 -0.56 0.00 0.00 175.26 177.17 1hqe s TRP 414 N -0.15 0.38 0.36 5.30 -2.14 -1.26 -0.32 118.94 121.10 1hqe s TRP 414 Ca 0.43 -0.52 0.06 0.00 2.66 0.00 0.00 56.10 58.74 1hqe s TRP 414 Cb -0.23 -0.25 -0.07 0.00 -3.10 0.00 0.00 33.47 29.82 1hqe s TRP 414 CO 0.28 -0.16 -0.00 -1.21 -2.66 0.00 0.00 176.95 173.19 1hqe s GLU 415 N -1.50 1.79 -0.12 3.25 2.02 0.12 -4.93 118.70 119.34 1hqe s GLU 415 Ca -0.14 -1.98 0.02 0.00 0.02 0.00 0.00 54.97 52.89 1hqe s GLU 415 Cb -0.10 -1.37 0.01 0.00 0.10 0.00 0.00 34.13 32.77 1hqe s GLU 415 CO -0.01 -0.05 -0.19 -0.06 0.02 0.00 0.00 175.26 174.97 1hqe s PHE 416 N -2.90 2.36 0.17 1.61 0.40 -1.26 -0.58 117.98 117.78 1hqe s PHE 416 Ca 0.34 -1.12 0.09 0.00 -0.60 0.00 0.00 56.93 55.64 1hqe s PHE 416 Cb 0.08 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1hqe s PHE 416 CO 0.16 -0.52 -0.12 0.14 0.70 0.00 0.00 175.22 175.58 1hqe s VAL 417 N 0.80 3.05 -0.87 -0.44 -7.23 -1.12 -4.91 120.40 109.68 1hqe s VAL 417 Ca -0.09 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1hqe s VAL 417 Cb -0.16 -2.49 0.32 0.00 0.56 0.00 0.00 36.38 34.61 1hqe s VAL 417 CO 0.00 -0.08 1.42 0.59 -0.31 0.00 0.00 175.10 176.72 1hqe n ASN 418 N 0.17 6.05 0.00 4.85 3.02 -1.26 -4.30 115.26 123.78 1hqe n ASN 418 Ca -0.12 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1hqe n ASN 418 Cb 0.55 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1hqe n ASN 418 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1hqe n THR 419 N 0.22 0.00 0.38 3.41 -1.04 -1.26 -5.00 114.28 110.99 1hqe n THR 419 Ca 0.37 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.49 1hqe n THR 419 Cb 0.32 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.77 1hqe n THR 419 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1hqe n PRO 420 N 0.00 0.41 -1.56 -2.82 -0.04 -1.26 -4.83 135.00 124.90 1hqe n PRO 420 Ca 0.00 -0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 1hqe n PRO 420 Cb 0.00 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 1hqe n PRO 420 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1hqe n PRO 421 N -2.08 1.54 0.13 0.54 -0.04 -1.26 -4.74 135.00 129.08 1hqe n PRO 421 Ca -0.00 -2.12 0.08 0.00 -0.04 0.00 0.00 63.50 61.42 1hqe n PRO 421 Cb 0.48 -3.27 0.42 0.00 -0.04 0.00 0.00 33.50 31.09 1hqe n PRO 421 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hqe n LEU 422 N 10.56 0.40 -0.07 1.53 4.77 -1.26 -2.42 117.00 130.51 1hqe n LEU 422 Ca 0.47 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 57.25 1hqe n LEU 422 Cb 0.43 -0.70 0.54 0.00 -2.33 0.00 0.00 43.42 41.37 1hqe n LEU 422 CO 0.88 -0.80 0.81 0.55 -1.33 0.00 0.00 177.39 177.50 1hqe n VAL 423 N -2.05 0.00 -2.95 4.08 3.14 -1.26 -4.92 118.33 114.37 1hqe n VAL 423 Ca -0.01 -0.03 -0.12 0.00 -2.96 0.00 0.00 64.34 61.22 1hqe n VAL 423 Cb 0.09 -0.12 0.06 0.00 -1.06 0.00 0.00 33.84 32.81 1hqe n VAL 423 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1hqe n LYS 424 N -1.18 -3.90 0.08 1.45 5.02 -1.02 -4.87 118.16 113.74 1hqe n LYS 424 Ca 0.11 0.61 0.12 0.00 -2.02 0.00 0.00 58.31 57.13 1hqe n LYS 424 Cb 0.30 -4.82 0.19 0.00 -0.02 0.00 0.00 35.03 30.69 1hqe n LYS 424 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1hqe n LEU 425 N -3.10 0.00 0.00 -0.35 -0.00 -1.26 -3.81 117.00 108.48 1hqe n LEU 425 Ca -0.17 0.61 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1hqe n LEU 425 Cb 0.61 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1hqe n LEU 425 CO 0.43 -0.61 0.00 0.79 -0.00 0.00 0.00 177.39 178.00 1hqe n TRP 426 N -2.81 0.00 -1.65 1.47 7.02 -1.26 -4.83 117.44 115.38 1hqe n TRP 426 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1hqe n TRP 426 Cb 1.23 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 30.12 1hqe n TRP 426 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65