#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpq s ARG 2 N 0.00 2.44 0.03 2.12 0.52 -1.26 -2.56 118.95 120.25 3hpq s ARG 2 Ca 0.00 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 3hpq s ARG 2 Cb 0.00 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 3hpq s ARG 2 CO 0.00 0.26 -0.08 0.42 0.02 0.00 0.00 175.30 175.92 3hpq s ILE 3 N 0.10 0.61 -0.07 1.52 1.01 -0.71 -1.08 121.20 122.57 3hpq s ILE 3 Ca -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3hpq s ILE 3 Cb -0.15 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3hpq s ILE 3 CO 0.05 -0.24 -0.17 -0.63 0.00 0.00 0.00 174.94 173.95 3hpq s ILE 4 N -1.07 1.50 -0.24 2.92 1.01 -0.27 0.05 121.20 125.09 3hpq s ILE 4 Ca -0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 3hpq s ILE 4 Cb -0.08 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 3hpq s ILE 4 CO 0.00 0.43 0.14 -0.76 0.00 0.00 0.00 174.94 174.76 3hpq s LEU 5 N 0.47 3.99 0.01 2.97 1.43 -0.42 -0.28 118.68 126.86 3hpq s LEU 5 Ca -0.15 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3hpq s LEU 5 Cb -0.16 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3hpq s LEU 5 CO 0.05 0.05 -0.05 -0.76 0.23 0.00 0.00 176.35 175.87 3hpq s LEU 6 N 1.17 3.25 0.00 1.79 1.02 0.88 -4.40 118.68 122.39 3hpq s LEU 6 Ca 0.07 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.08 3hpq s LEU 6 Cb -0.14 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.19 3hpq s LEU 6 CO 0.05 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.30 3hpq n GLY 7 N 1.42 3.40 3.56 -3.19 0.00 -1.26 -0.25 105.19 108.87 3hpq n GLY 7 Ca -0.15 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3hpq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpq s ALA 8 N -2.00 0.29 0.27 4.61 0.00 -1.26 -4.89 121.76 118.77 3hpq s ALA 8 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 3hpq s ALA 8 Cb 0.00 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 3hpq s ALA 8 CO 0.00 -3.42 1.64 -2.30 0.00 0.00 0.00 175.76 171.69 3hpq n PRO 9 N -4.65 2.75 -1.02 0.00 -0.02 -1.26 -2.37 135.00 128.43 3hpq n PRO 9 Ca 0.06 0.98 -0.01 0.00 -2.02 0.00 0.00 63.50 62.52 3hpq n PRO 9 Cb 0.53 -2.79 -0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3hpq n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpq n GLY 10 N 2.72 0.48 0.24 -1.23 0.00 -1.26 -4.86 105.19 101.28 3hpq n GLY 10 Ca 0.11 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3hpq n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpq h ALA 11 N 0.00 1.01 0.00 4.61 0.00 -1.81 -3.47 119.26 119.60 3hpq h ALA 11 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hpq h ALA 11 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hpq h ALA 11 CO 0.02 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3hpq n GLY 12 N 0.18 1.45 0.10 0.00 0.00 -1.26 -4.84 105.19 100.82 3hpq n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3hpq n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpq h LYS 13 N 0.74 -0.17 -0.92 1.61 1.57 -1.91 -1.58 116.57 115.91 3hpq h LYS 13 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hpq h LYS 13 Cb 0.00 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3hpq h LYS 13 CO 0.00 -0.11 0.53 0.78 -0.57 0.00 0.00 179.45 180.08 3hpq h GLY 14 N -0.18 1.35 0.84 3.86 0.00 -1.96 0.07 103.07 107.05 3hpq h GLY 14 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.74 3hpq h GLY 14 CO 0.03 0.56 -0.00 -0.84 0.00 0.00 0.00 176.54 176.29 3hpq h THR 15 N 1.27 0.93 0.00 4.70 2.02 -1.85 -2.86 112.91 117.13 3hpq h THR 15 Ca 0.33 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.39 3hpq h THR 15 Cb -0.02 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3hpq h THR 15 CO -0.06 0.01 -0.50 1.56 0.37 0.00 0.00 175.52 176.90 3hpq h GLN 16 N 0.04 0.00 -0.42 6.66 1.08 -1.07 -3.11 115.11 118.28 3hpq h GLN 16 Ca 0.05 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 3hpq h GLN 16 Cb 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3hpq h GLN 16 CO -0.08 0.50 0.28 0.00 -0.95 0.00 0.00 178.83 178.58 3hpq h ALA 17 N 1.50 1.80 -0.77 3.87 0.00 -0.75 -2.18 119.26 122.74 3hpq h ALA 17 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hpq h ALA 17 Cb 1.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3hpq h ALA 17 CO 0.06 0.15 0.47 1.96 0.00 0.00 0.00 179.25 181.90 3hpq h GLN 18 N 0.48 0.87 -0.31 0.00 1.08 -1.46 -1.18 115.11 114.59 3hpq h GLN 18 Ca 0.17 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.19 3hpq h GLN 18 Cb 0.09 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3hpq h GLN 18 CO -0.04 0.57 -0.30 0.74 -0.95 0.00 0.00 178.83 178.85 3hpq h PHE 19 N 0.89 0.89 -0.42 2.96 0.04 -1.57 -2.74 116.94 117.01 3hpq h PHE 19 Ca 0.33 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3hpq h PHE 19 Cb 0.10 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3hpq h PHE 19 CO -0.04 1.03 0.17 0.82 -0.60 0.00 0.00 178.31 179.69 3hpq h ILE 20 N 0.50 1.19 -0.27 -0.55 2.04 -1.32 -1.68 117.51 117.42 3hpq h ILE 20 Ca 0.05 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3hpq h ILE 20 Cb 0.87 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3hpq h ILE 20 CO 0.07 0.22 0.06 -0.03 0.00 0.00 0.00 178.15 178.47 3hpq h MET 21 N 0.53 0.16 -0.48 2.37 4.05 -1.21 -0.30 114.93 120.05 3hpq h MET 21 Ca 0.14 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 3hpq h MET 21 Cb 0.18 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 3hpq h MET 21 CO -0.01 0.10 -0.17 1.05 0.23 0.00 0.00 176.91 178.11 3hpq h GLU 22 N 0.16 0.95 -0.14 0.39 4.11 -1.39 -0.72 114.58 117.94 3hpq h GLU 22 Ca 0.12 -0.38 -0.20 0.00 0.07 0.00 0.00 59.36 58.98 3hpq h GLU 22 Cb 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hpq h GLU 22 CO -0.16 1.04 -0.71 -0.22 0.07 0.00 0.00 179.01 179.03 3hpq h LYS 23 N 0.83 0.63 -0.02 1.06 3.64 -1.04 -3.32 116.57 118.34 3hpq h LYS 23 Ca 0.12 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3hpq h LYS 23 Cb 0.73 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3hpq h LYS 23 CO 0.06 1.11 0.00 0.66 -2.27 0.00 0.00 179.45 179.01 3hpq n TYR 24 N -3.91 0.00 -2.79 1.91 4.01 -0.15 -4.98 117.16 111.27 3hpq n TYR 24 Ca -0.05 -0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.47 3hpq n TYR 24 Cb 0.70 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.75 3hpq n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hpq n GLY 25 N 0.98 -0.50 3.40 2.72 0.00 -0.29 -4.98 105.19 106.53 3hpq n GLY 25 Ca 0.10 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hpq n GLY 25 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hpq s ILE 26 N -3.12 2.55 0.27 -0.61 -4.36 -1.16 -4.96 121.20 109.80 3hpq s ILE 26 Ca 0.19 -1.09 -0.30 0.00 -0.26 0.00 0.00 60.65 59.20 3hpq s ILE 26 Cb -0.08 -2.00 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 3hpq s ILE 26 CO 0.24 0.47 1.08 -2.84 0.24 0.00 0.00 174.94 174.12 3hpq s PRO 27 N -1.02 4.66 0.01 0.37 0.02 -1.26 -4.31 135.00 133.47 3hpq s PRO 27 Ca 0.12 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 62.60 3hpq s PRO 27 Cb -0.10 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3hpq s PRO 27 CO 0.02 0.24 1.11 -1.14 -0.33 0.00 0.00 177.00 176.90 3hpq s GLN 28 N -1.31 4.46 -0.62 5.54 0.74 -1.26 -1.28 119.66 125.93 3hpq s GLN 28 Ca 0.44 1.61 -0.06 0.00 0.05 0.00 0.00 55.36 57.41 3hpq s GLN 28 Cb -0.31 -3.43 0.16 0.00 1.10 0.00 0.00 33.01 30.53 3hpq s GLN 28 CO 0.39 -0.22 0.48 0.42 -0.55 0.00 0.00 175.29 175.81 3hpq s ILE 29 N 1.27 4.17 -0.35 -2.34 1.01 0.19 -4.93 121.20 120.22 3hpq s ILE 29 Ca 0.55 -2.58 -0.11 0.00 0.00 0.00 0.00 60.65 58.51 3hpq s ILE 29 Cb -0.25 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.53 3hpq s ILE 29 CO 0.27 -0.88 0.21 -0.55 0.00 0.00 0.00 174.94 173.99 3hpq s SER 30 N 1.44 5.79 0.36 3.58 0.15 -1.26 -0.83 113.70 122.92 3hpq s SER 30 Ca 0.14 -0.72 0.10 0.00 0.70 0.00 0.00 55.95 56.18 3hpq s SER 30 Cb -0.19 -2.06 0.67 0.00 -1.71 0.00 0.00 66.02 62.73 3hpq s SER 30 CO -0.04 -0.30 1.82 0.71 1.20 0.00 0.00 173.24 176.62 3hpq h THR 31 N 5.70 1.25 -0.60 6.45 1.35 -1.85 -1.94 112.91 123.27 3hpq h THR 31 Ca -0.29 -1.19 -0.10 0.00 -0.55 0.00 0.00 66.41 64.28 3hpq h THR 31 Cb 1.13 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 3hpq h THR 31 CO 0.65 0.35 -0.01 1.23 -0.25 0.00 0.00 175.52 177.50 3hpq h GLY 32 N 1.03 1.14 1.41 5.82 0.00 -1.91 -1.37 103.07 109.19 3hpq h GLY 32 Ca 0.02 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.35 3hpq h GLY 32 CO 0.04 0.78 -0.47 -0.55 0.00 0.00 0.00 176.54 176.35 3hpq h ASP 33 N 0.95 0.69 -0.03 0.19 3.32 -1.86 -2.41 116.42 117.27 3hpq h ASP 33 Ca 0.17 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3hpq h ASP 33 Cb 0.57 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3hpq h ASP 33 CO 0.03 1.05 0.00 0.24 -1.72 0.00 0.00 179.24 178.84 3hpq h MET 34 N 0.50 0.06 -0.68 3.56 2.86 -1.26 -1.99 114.93 117.99 3hpq h MET 34 Ca 0.03 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 3hpq h MET 34 Cb 1.01 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.61 3hpq h MET 34 CO 0.09 0.34 0.38 -0.07 1.06 0.00 0.00 176.91 178.71 3hpq h LEU 35 N -0.24 0.57 -0.94 1.22 3.38 -1.26 0.17 115.31 118.21 3hpq h LEU 35 Ca 0.01 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hpq h LEU 35 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hpq h LEU 35 CO 0.00 0.37 -0.28 0.03 0.09 0.00 0.00 178.44 178.65 3hpq h ARG 36 N 0.70 0.44 -0.12 1.13 3.08 -1.43 -1.75 114.38 116.43 3hpq h ARG 36 Ca 0.30 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 3hpq h ARG 36 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hpq h ARG 36 CO -0.18 0.68 -0.70 0.00 -1.07 0.00 0.00 179.97 178.70 3hpq h ALA 37 N 1.32 0.55 -0.40 0.04 0.00 -0.56 -1.46 119.26 118.76 3hpq h ALA 37 Ca 0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3hpq h ALA 37 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hpq h ALA 37 CO 0.05 0.73 0.13 0.00 0.00 0.00 0.00 179.25 180.16 3hpq h ALA 38 N 0.85 0.52 -0.16 0.00 0.00 -0.48 0.78 119.26 120.77 3hpq h ALA 38 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hpq h ALA 38 Cb 1.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3hpq h ALA 38 CO 0.13 0.16 0.02 0.28 0.00 0.00 0.00 179.25 179.83 3hpq h VAL 39 N 0.50 0.91 -0.12 0.00 2.07 -1.30 0.47 116.25 118.78 3hpq h VAL 39 Ca 0.13 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3hpq h VAL 39 Cb 0.24 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3hpq h VAL 39 CO -0.01 0.01 -0.09 0.50 0.02 0.00 0.00 177.57 178.01 3hpq h LYS 40 N 0.08 -0.10 0.00 1.57 3.64 -0.84 -2.95 116.57 117.96 3hpq h LYS 40 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hpq h LYS 40 Cb 0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3hpq h LYS 40 CO -0.11 -0.07 -0.70 -1.13 -2.27 0.00 0.00 179.45 175.17 3hpq n SER 41 N -5.23 0.66 -0.47 4.20 3.41 0.23 -4.96 113.62 111.46 3hpq n SER 41 Ca -0.04 0.02 -0.03 0.00 -0.26 0.00 0.00 58.87 58.57 3hpq n SER 41 Cb 0.16 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3hpq n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hpq n GLY 42 N 1.36 0.37 3.75 5.00 0.00 0.15 -5.00 105.19 110.83 3hpq n GLY 42 Ca 0.03 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3hpq n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hpq s SER 43 N -2.91 6.35 0.19 1.61 0.01 -0.52 -4.84 113.70 113.58 3hpq s SER 43 Ca 0.02 2.98 -0.21 0.00 1.31 0.00 0.00 55.95 60.05 3hpq s SER 43 Cb -0.01 -2.64 0.13 0.00 0.21 0.00 0.00 66.02 63.71 3hpq s SER 43 CO 0.02 -0.93 1.57 -0.08 0.41 0.00 0.00 173.24 174.24 3hpq h GLU 44 N 4.65 -0.13 -5.28 12.44 4.57 -1.94 -1.31 114.58 127.58 3hpq h GLU 44 Ca -0.47 0.01 -0.65 0.00 -1.18 0.00 0.00 59.36 57.06 3hpq h GLU 44 Cb 1.22 0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 29.68 3hpq h GLU 44 CO 0.78 -0.08 0.63 -1.17 -1.18 0.00 0.00 179.01 177.98 3hpq s LEU 45 N -10.73 4.64 0.00 1.64 2.96 -1.26 -3.82 118.68 112.10 3hpq s LEU 45 Ca -0.14 -1.36 0.00 0.00 -0.22 0.00 0.00 54.13 52.41 3hpq s LEU 45 Cb 0.16 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.44 3hpq s LEU 45 CO 0.69 -1.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.02 3hpq n GLY 46 N 5.42 1.90 0.39 7.98 0.00 -1.24 -4.91 105.19 114.73 3hpq n GLY 46 Ca 0.05 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.27 3hpq n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hpq h LYS 47 N 0.00 0.47 0.00 1.61 3.64 -1.33 -0.93 116.57 120.03 3hpq h LYS 47 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hpq h LYS 47 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3hpq h LYS 47 CO 0.00 0.31 0.00 1.04 -2.27 0.00 0.00 179.45 178.53 3hpq n GLN 48 N -4.67 0.18 0.00 1.90 3.00 -1.26 -3.58 117.38 112.95 3hpq n GLN 48 Ca 0.25 0.16 0.13 0.00 -0.01 0.00 0.00 57.00 57.52 3hpq n GLN 48 Cb 0.79 -1.50 0.60 0.00 0.00 0.00 0.00 30.24 30.12 3hpq n GLN 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hpq n ALA 49 N -1.30 2.23 0.42 -1.58 0.00 -0.35 -4.28 120.51 115.65 3hpq n ALA 49 Ca 0.06 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 3hpq n ALA 49 Cb 0.12 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 3hpq n ALA 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hpq h LYS 50 N 0.00 -1.13 -0.49 0.00 3.64 -1.80 -2.59 116.57 114.20 3hpq h LYS 50 Ca 0.00 0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3hpq h LYS 50 Cb 0.36 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3hpq h LYS 50 CO 0.00 -0.75 0.12 -0.44 -2.27 0.00 0.00 179.45 176.11 3hpq h ASP 51 N -1.17 0.69 -0.09 4.20 5.19 -1.91 -2.50 116.42 120.83 3hpq h ASP 51 Ca -0.10 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 3hpq h ASP 51 Cb 0.94 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 3hpq h ASP 51 CO 0.10 0.68 0.02 0.40 -3.12 0.00 0.00 179.24 177.32 3hpq h ILE 52 N 0.72 1.20 -0.21 0.35 2.04 -1.78 -2.10 117.51 117.73 3hpq h ILE 52 Ca 0.16 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3hpq h ILE 52 Cb 0.26 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3hpq h ILE 52 CO -0.00 0.18 -0.03 0.24 0.00 0.00 0.00 178.15 178.54 3hpq h MET 53 N -0.06 0.31 -0.69 2.37 2.86 -1.40 -1.93 114.93 116.39 3hpq h MET 53 Ca 0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3hpq h MET 53 Cb 0.26 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3hpq h MET 53 CO 0.00 0.36 0.45 0.22 1.06 0.00 0.00 176.91 179.00 3hpq h ASP 54 N 0.30 0.78 0.15 1.22 3.58 -1.05 -2.28 116.42 119.12 3hpq h ASP 54 Ca 0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3hpq h ASP 54 Cb 0.25 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3hpq h ASP 54 CO 0.01 0.56 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 3hpq n ALA 55 N -2.29 2.60 -1.06 -0.78 0.00 -0.83 -4.86 120.51 113.30 3hpq n ALA 55 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3hpq n ALA 55 Cb 0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.97 3hpq n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpq n GLY 56 N 1.02 0.55 3.92 0.00 0.00 -0.86 -4.89 105.19 104.93 3hpq n GLY 56 Ca 0.21 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 3hpq n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpq s LYS 57 N -1.36 3.57 0.34 1.61 1.02 -0.78 -3.61 119.74 120.54 3hpq s LYS 57 Ca 0.00 -0.17 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 3hpq s LYS 57 Cb 0.00 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 3hpq s LYS 57 CO 0.00 0.31 1.04 -0.51 -0.92 0.00 0.00 175.35 175.26 3hpq s LEU 58 N -3.45 4.31 0.61 3.17 1.43 -1.26 -4.15 118.68 119.35 3hpq s LEU 58 Ca 0.41 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.43 3hpq s LEU 58 Cb -0.11 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 3hpq s LEU 58 CO 0.29 -0.28 1.04 -0.69 0.23 0.00 0.00 176.35 176.94 3hpq s VAL 59 N -1.49 4.18 0.55 -1.59 1.01 -1.26 -4.99 120.40 116.81 3hpq s VAL 59 Ca 0.52 0.89 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 3hpq s VAL 59 Cb -0.24 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3hpq s VAL 59 CO 0.31 -0.75 1.19 0.35 0.00 0.00 0.00 175.10 176.20 3hpq n THR 60 N -2.34 3.65 -0.18 3.92 -2.24 -1.26 -4.89 114.28 110.95 3hpq n THR 60 Ca 0.07 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.34 3hpq n THR 60 Cb 0.53 -1.43 0.09 0.00 -2.10 0.00 0.00 70.33 67.42 3hpq n THR 60 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hpq h ASP 61 N 1.12 0.06 -0.54 3.42 3.32 -2.00 -2.90 116.42 118.90 3hpq h ASP 61 Ca -0.49 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 3hpq h ASP 61 Cb 1.33 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.97 3hpq h ASP 61 CO 0.55 0.05 0.02 1.05 -1.72 0.00 0.00 179.24 179.19 3hpq h GLU 62 N 0.29 0.98 -0.05 3.56 4.11 -1.99 -0.91 114.58 120.56 3hpq h GLU 62 Ca 0.28 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 3hpq h GLU 62 Cb 0.37 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hpq h GLU 62 CO -0.33 0.95 0.02 1.25 0.07 0.00 0.00 179.01 180.97 3hpq h LEU 63 N 0.90 0.07 -0.45 3.06 5.85 -1.89 -2.13 115.31 120.73 3hpq h LEU 63 Ca 0.17 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3hpq h LEU 63 Cb 0.50 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3hpq h LEU 63 CO 0.02 0.22 -0.16 0.58 -0.34 0.00 0.00 178.44 178.76 3hpq h VAL 64 N -0.08 1.27 -0.52 1.05 2.07 -1.42 -1.99 116.25 116.64 3hpq h VAL 64 Ca 0.02 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.32 3hpq h VAL 64 Cb 0.17 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3hpq h VAL 64 CO -0.00 0.44 0.18 0.40 0.02 0.00 0.00 177.57 178.61 3hpq h ILE 65 N 0.73 0.81 -0.74 4.57 2.04 -1.15 0.06 117.51 123.84 3hpq h ILE 65 Ca 0.11 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hpq h ILE 65 Cb 0.71 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3hpq h ILE 65 CO 0.05 0.07 0.41 0.00 0.00 0.00 0.00 178.15 178.68 3hpq h ALA 66 N 1.35 0.95 -0.68 1.87 0.00 -1.18 -0.25 119.26 121.32 3hpq h ALA 66 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hpq h ALA 66 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hpq h ALA 66 CO -0.26 0.45 0.33 -0.07 0.00 0.00 0.00 179.25 179.70 3hpq h LEU 67 N 1.02 0.89 -0.09 0.00 3.38 -0.63 -1.33 115.31 118.54 3hpq h LEU 67 Ca 0.26 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3hpq h LEU 67 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hpq h LEU 67 CO -0.04 0.77 -0.08 0.58 0.09 0.00 0.00 178.44 179.75 3hpq h VAL 68 N 0.94 1.35 -0.25 1.22 2.07 -0.64 -0.88 116.25 120.07 3hpq h VAL 68 Ca 0.23 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 3hpq h VAL 68 Cb 0.12 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3hpq h VAL 68 CO -0.03 0.34 -0.08 0.07 0.02 0.00 0.00 177.57 177.89 3hpq h LYS 69 N -0.19 0.40 0.17 1.57 2.10 -1.01 0.41 116.57 120.02 3hpq h LYS 69 Ca 0.02 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 3hpq h LYS 69 Cb 0.58 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3hpq h LYS 69 CO 0.02 0.49 -0.08 1.49 -2.00 0.00 0.00 179.45 179.37 3hpq h GLU 70 N 0.38 -0.22 -0.60 0.07 4.81 -1.21 -2.92 114.58 114.88 3hpq h GLU 70 Ca 0.08 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3hpq h GLU 70 Cb 0.39 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3hpq h GLU 70 CO 0.02 0.09 0.27 -0.09 -0.73 0.00 0.00 179.01 178.56 3hpq h ARG 71 N -0.54 0.86 0.00 1.92 9.65 -0.72 -3.00 114.38 122.56 3hpq h ARG 71 Ca -0.02 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3hpq h ARG 71 Cb 0.41 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3hpq h ARG 71 CO 0.04 0.69 -0.16 1.51 2.80 0.00 0.00 179.97 184.85 3hpq n ILE 72 N -4.34 0.20 0.72 1.20 3.06 0.14 -2.41 119.36 117.93 3hpq n ILE 72 Ca 0.05 -0.11 0.13 0.00 -2.50 0.00 0.00 62.75 60.33 3hpq n ILE 72 Cb 0.15 -0.35 0.47 0.00 0.54 0.00 0.00 39.64 40.44 3hpq n ILE 72 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hpq n ALA 73 N -1.61 2.26 -1.62 1.51 0.00 -1.10 -4.77 120.51 115.18 3hpq n ALA 73 Ca 0.06 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3hpq n ALA 73 Cb 0.37 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.42 3hpq n ALA 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hpq n GLN 74 N -2.04 0.86 -0.10 0.00 -0.06 -1.01 -4.90 117.38 110.12 3hpq n GLN 74 Ca 0.06 0.34 0.00 0.00 -2.00 0.00 0.00 57.00 55.40 3hpq n GLN 74 Cb 0.39 -2.20 0.28 0.00 -4.06 0.00 0.00 30.24 24.65 3hpq n GLN 74 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3hpq h GLU 75 N 0.39 0.76 0.00 3.69 4.57 -1.90 -2.46 114.58 119.63 3hpq h GLU 75 Ca -0.49 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 3hpq h GLU 75 Cb 1.36 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3hpq h GLU 75 CO 0.50 0.60 0.00 -0.40 -1.18 0.00 0.00 179.01 178.53 3hpq n ASP 76 N -4.36 0.08 -1.43 1.04 5.75 -1.26 -1.24 116.55 115.12 3hpq n ASP 76 Ca 0.05 0.53 0.09 0.00 -0.01 0.00 0.00 54.79 55.45 3hpq n ASP 76 Cb 0.13 -0.54 0.32 0.00 -1.03 0.00 0.00 41.12 40.00 3hpq n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hpq h ARG 78 N 3.80 -0.22 -0.61 0.00 3.08 -1.36 -3.10 114.38 115.98 3hpq h ARG 78 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hpq h ARG 78 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3hpq h ARG 78 CO 0.17 -0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.01 3hpq n ASN 79 N -5.26 3.57 0.00 7.04 3.02 -1.26 -5.01 115.26 117.36 3hpq n ASN 79 Ca -0.06 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 3hpq n ASN 79 Cb 0.18 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3hpq n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpq n GLY 80 N 1.09 1.56 3.56 7.41 0.00 -1.17 -1.77 105.19 115.86 3hpq n GLY 80 Ca 0.20 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.03 3hpq n GLY 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hpq s PHE 81 N -1.33 -0.28 -0.21 1.61 -0.71 -1.06 -4.33 117.98 111.68 3hpq s PHE 81 Ca 0.00 0.12 -0.00 0.00 -1.04 0.00 0.00 56.93 56.01 3hpq s PHE 81 Cb 0.00 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 3hpq s PHE 81 CO 0.00 -0.54 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.03 3hpq s LEU 82 N -2.54 2.56 -0.18 -1.99 0.20 -0.40 -1.74 118.68 114.59 3hpq s LEU 82 Ca 0.07 -0.67 -0.24 0.00 0.69 0.00 0.00 54.13 53.98 3hpq s LEU 82 Cb -0.01 -1.58 -0.02 0.00 -0.43 0.00 0.00 46.19 44.16 3hpq s LEU 82 CO -0.07 -0.04 0.78 -0.76 -0.29 0.00 0.00 176.35 175.98 3hpq s LEU 83 N 1.33 4.16 -0.37 -0.68 1.43 0.11 0.55 118.68 125.20 3hpq s LEU 83 Ca 0.04 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3hpq s LEU 83 Cb -0.14 -3.14 0.12 0.00 0.03 0.00 0.00 46.19 43.06 3hpq s LEU 83 CO -0.09 -0.38 0.17 -0.62 0.23 0.00 0.00 176.35 175.66 3hpq s ASP 84 N 1.19 3.81 0.00 2.29 2.15 -0.01 -1.31 116.67 124.79 3hpq s ASP 84 Ca 0.35 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 51.21 3hpq s ASP 84 Cb -0.16 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 3hpq s ASP 84 CO 0.11 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 3hpq n GLY 85 N 4.20 1.00 3.04 2.66 0.00 -1.26 -3.06 105.19 111.77 3hpq n GLY 85 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3hpq n GLY 85 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hpq s PHE 86 N -2.01 1.01 0.67 1.61 2.19 -1.26 -3.95 117.98 116.25 3hpq s PHE 86 Ca 0.00 -0.22 -0.13 0.00 0.33 0.00 0.00 56.93 56.91 3hpq s PHE 86 Cb 0.00 -0.68 -0.00 0.00 -1.31 0.00 0.00 43.02 41.03 3hpq s PHE 86 CO 0.00 -0.06 1.07 -2.14 1.83 0.00 0.00 175.22 175.92 3hpq s PRO 87 N -0.07 2.97 -0.00 10.12 0.02 -1.26 -4.75 135.00 142.02 3hpq s PRO 87 Ca 0.01 1.09 0.02 0.00 0.02 0.00 0.00 61.00 62.14 3hpq s PRO 87 Cb -0.06 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3hpq s PRO 87 CO 0.00 -1.08 0.06 -2.13 -0.33 0.00 0.00 177.00 173.51 3hpq n ARG 88 N -2.78 0.90 -4.30 5.54 3.00 -1.25 -4.97 116.66 112.79 3hpq n ARG 88 Ca 0.08 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.85 57.75 3hpq n ARG 88 Cb 0.53 -0.99 -0.10 0.00 0.00 0.00 0.00 32.46 31.90 3hpq n ARG 88 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3hpq s THR 89 N -2.03 0.70 0.08 5.15 -4.23 -1.26 -3.81 115.64 110.24 3hpq s THR 89 Ca -0.01 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 3hpq s THR 89 Cb 0.01 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.27 3hpq s THR 89 CO 0.09 -0.19 1.64 0.40 -0.54 0.00 0.00 174.62 176.03 3hpq h ILE 90 N 2.47 1.11 -0.34 2.99 1.08 -1.95 -2.06 117.51 120.81 3hpq h ILE 90 Ca -0.38 -0.32 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 3hpq h ILE 90 Cb 1.23 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 3hpq h ILE 90 CO 0.62 0.09 0.23 -0.65 -0.69 0.00 0.00 178.15 177.76 3hpq h PRO 91 N -0.01 0.27 -0.47 2.37 0.11 -1.97 0.60 132.00 132.90 3hpq h PRO 91 Ca 0.02 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3hpq h PRO 91 Cb 0.12 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3hpq h PRO 91 CO -0.00 0.18 0.08 1.96 -0.21 0.00 0.00 178.00 180.01 3hpq h GLN 92 N 0.28 0.78 -0.43 1.05 4.20 -1.87 -0.13 115.11 118.99 3hpq h GLN 92 Ca 0.15 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3hpq h GLN 92 Cb 0.23 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3hpq h GLN 92 CO -0.03 0.78 0.16 0.00 -0.67 0.00 0.00 178.83 179.07 3hpq h ALA 93 N 0.96 0.56 -0.40 3.87 0.00 -0.49 -2.70 119.26 121.06 3hpq h ALA 93 Ca 0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3hpq h ALA 93 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hpq h ALA 93 CO 0.01 0.18 -0.12 -0.44 0.00 0.00 0.00 179.25 178.87 3hpq h ASP 94 N 0.55 0.71 -0.89 0.00 3.32 -0.81 -1.20 116.42 118.10 3hpq h ASP 94 Ca 0.14 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.04 3hpq h ASP 94 Cb 0.21 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 3hpq h ASP 94 CO -0.01 0.85 0.56 0.00 -1.72 0.00 0.00 179.24 178.92 3hpq h ALA 95 N 1.21 1.21 -0.15 3.45 0.00 -0.87 -1.82 119.26 122.29 3hpq h ALA 95 Ca 0.11 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3hpq h ALA 95 Cb 0.58 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hpq h ALA 95 CO 0.04 0.33 -0.67 1.98 0.00 0.00 0.00 179.25 180.93 3hpq h MET 96 N 1.03 0.60 -0.30 0.00 1.85 -1.13 -2.91 114.93 114.07 3hpq h MET 96 Ca 0.38 -0.44 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 3hpq h MET 96 Cb 0.15 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 3hpq h MET 96 CO -0.16 1.06 0.04 -0.22 -0.40 0.00 0.00 176.91 177.23 3hpq h LYS 97 N 0.43 0.50 -0.00 0.39 3.64 -0.81 -2.45 116.57 118.27 3hpq h LYS 97 Ca -0.02 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3hpq h LYS 97 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3hpq h LYS 97 CO 0.13 0.61 -0.03 -0.85 -2.27 0.00 0.00 179.45 177.03 3hpq n GLU 98 N -4.62 0.68 0.00 1.90 0.28 -0.72 -1.68 120.64 116.48 3hpq n GLU 98 Ca -0.02 -0.10 0.14 0.00 -0.16 0.00 0.00 57.16 57.02 3hpq n GLU 98 Cb 0.22 -1.50 0.57 0.00 1.43 0.00 0.00 31.44 32.16 3hpq n GLU 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hpq n ALA 99 N -1.07 2.81 -1.68 -1.84 0.00 -1.10 -4.93 120.51 112.69 3hpq n ALA 99 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3hpq n ALA 99 Cb 0.22 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3hpq n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpq n GLY 100 N 1.27 0.60 3.25 0.00 0.00 -0.67 -5.03 105.19 104.60 3hpq n GLY 100 Ca 0.15 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3hpq n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpq s ILE 101 N -2.00 4.43 0.01 -0.61 1.01 -0.94 -5.06 121.20 118.03 3hpq s ILE 101 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.06 3hpq s ILE 101 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3hpq s ILE 101 CO 0.00 -0.70 0.08 0.20 0.00 0.00 0.00 174.94 174.52 3hpq s ASN 102 N 2.64 5.67 0.37 3.58 0.01 -1.26 -4.47 114.94 121.47 3hpq s ASN 102 Ca 0.04 0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.40 3hpq s ASN 102 Cb -0.26 -1.62 -0.05 0.00 0.41 0.00 0.00 41.25 39.74 3hpq s ASN 102 CO 0.01 0.26 0.13 0.68 -1.51 0.00 0.00 177.10 176.67 3hpq s VAL 103 N -1.23 2.68 -0.15 1.60 -7.23 -1.26 -4.95 120.40 109.86 3hpq s VAL 103 Ca 0.24 -1.75 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 3hpq s VAL 103 Cb -0.12 -2.94 -0.23 0.00 0.56 0.00 0.00 36.38 33.65 3hpq s VAL 103 CO 0.15 -0.12 0.24 0.47 -0.31 0.00 0.00 175.10 175.53 3hpq n ASP 104 N -1.14 1.11 -3.96 4.85 8.00 -0.24 -4.44 116.55 120.72 3hpq n ASP 104 Ca -0.02 0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.42 3hpq n ASP 104 Cb 0.63 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.58 3hpq n ASP 104 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hpq s TYR 105 N -2.54 0.71 -0.21 1.24 2.02 -0.78 -1.56 117.35 116.22 3hpq s TYR 105 Ca -0.16 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3hpq s TYR 105 Cb 0.07 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.13 3hpq s TYR 105 CO 0.77 -0.08 -0.14 0.08 -1.57 0.00 0.00 175.55 174.61 3hpq s VAL 106 N 0.21 2.41 -0.28 0.71 1.01 0.03 -1.11 120.40 123.38 3hpq s VAL 106 Ca -0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3hpq s VAL 106 Cb -0.07 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.21 3hpq s VAL 106 CO -0.00 0.37 -0.01 -0.76 0.00 0.00 0.00 175.10 174.70 3hpq s LEU 107 N 1.29 3.64 -0.12 3.92 1.43 0.62 -1.68 118.68 127.79 3hpq s LEU 107 Ca 0.02 -1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 51.92 3hpq s LEU 107 Cb -0.15 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3hpq s LEU 107 CO -0.09 -0.21 0.36 -0.70 0.23 0.00 0.00 176.35 175.94 3hpq s GLU 108 N 1.32 4.19 -0.27 1.70 2.12 0.90 -0.08 118.70 128.57 3hpq s GLU 108 Ca -0.02 0.23 -0.11 0.00 0.36 0.00 0.00 54.97 55.44 3hpq s GLU 108 Cb -0.18 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3hpq s GLU 108 CO -0.02 0.31 0.18 -0.06 -0.54 0.00 0.00 175.26 175.13 3hpq s PHE 109 N 0.20 3.22 -0.40 5.30 0.40 0.65 -0.61 117.98 126.75 3hpq s PHE 109 Ca 0.20 0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.45 3hpq s PHE 109 Cb -0.14 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.05 3hpq s PHE 109 CO 0.07 -0.15 0.39 0.34 0.70 0.00 0.00 175.22 176.57 3hpq s ASP 110 N 1.66 6.17 -0.05 1.36 2.15 0.04 -4.49 116.67 123.51 3hpq s ASP 110 Ca 0.07 -0.60 -0.02 0.00 0.43 0.00 0.00 52.55 52.43 3hpq s ASP 110 Cb -0.16 -2.20 0.04 0.00 -0.30 0.00 0.00 42.92 40.29 3hpq s ASP 110 CO 0.10 -0.49 0.10 -0.69 -0.17 0.00 0.00 175.17 174.01 3hpq s VAL 111 N 2.02 -0.08 0.57 1.11 1.01 -1.26 -1.12 120.40 122.64 3hpq s VAL 111 Ca 0.11 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 3hpq s VAL 111 Cb -0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3hpq s VAL 111 CO 0.12 0.10 1.30 -2.84 0.00 0.00 0.00 175.10 173.79 3hpq s PRO 112 N 1.38 3.04 0.25 2.72 0.02 -1.26 -4.92 135.00 136.22 3hpq s PRO 112 Ca -0.06 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 3hpq s PRO 112 Cb -0.12 -2.13 0.38 0.00 0.02 0.00 0.00 34.50 32.65 3hpq s PRO 112 CO -0.05 -1.22 1.86 -0.44 -0.33 0.00 0.00 177.00 176.82 3hpq h ASP 113 N 1.22 0.90 0.03 2.53 5.19 -2.01 -2.79 116.42 121.50 3hpq h ASP 113 Ca -0.51 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3hpq h ASP 113 Cb 1.30 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3hpq h ASP 113 CO 0.56 0.57 0.00 -0.33 -3.12 0.00 0.00 179.24 176.92 3hpq h GLU 114 N 1.03 0.00 0.00 3.56 3.07 -2.04 -1.29 114.58 118.91 3hpq h GLU 114 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3hpq h GLU 114 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3hpq h GLU 114 CO -0.18 0.00 -1.01 1.28 -1.40 0.00 0.00 179.01 177.70 3hpq n LEU 115 N -2.39 0.64 -0.02 1.33 4.77 -1.05 -4.58 117.00 115.70 3hpq n LEU 115 Ca -0.02 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3hpq n LEU 115 Cb 0.05 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3hpq n LEU 115 CO 0.12 -0.04 0.70 0.40 -1.33 0.00 0.00 177.39 177.24 3hpq h ILE 116 N 0.00 1.29 0.24 -0.08 2.04 -1.36 -2.99 117.51 116.64 3hpq h ILE 116 Ca 0.00 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3hpq h ILE 116 Cb 0.82 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 3hpq h ILE 116 CO 0.00 0.24 -0.32 0.58 0.00 0.00 0.00 178.15 178.66 3hpq h VAL 117 N -0.23 0.33 0.00 1.67 2.07 -1.81 -1.08 116.25 117.20 3hpq h VAL 117 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hpq h VAL 117 Cb 0.39 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hpq h VAL 117 CO 0.01 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 177.98 3hpq h ASP 118 N -0.61 0.00 0.14 0.57 5.19 -1.85 -0.78 116.42 119.07 3hpq h ASP 118 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 3hpq h ASP 118 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 3hpq h ASP 118 CO -0.11 0.06 -0.07 0.03 -3.12 0.00 0.00 179.24 176.03 3hpq h ARG 119 N 0.00 -0.18 -0.39 3.56 3.08 -1.25 -3.22 114.38 115.97 3hpq h ARG 119 Ca -0.00 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3hpq h ARG 119 Cb 0.13 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3hpq h ARG 119 CO 0.01 0.19 -0.14 0.82 -1.07 0.00 0.00 179.97 179.78 3hpq h ILE 120 N -0.60 1.26 0.00 2.04 1.08 -0.35 -2.70 117.51 118.24 3hpq h ILE 120 Ca -0.02 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.23 3hpq h ILE 120 Cb 0.46 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 3hpq h ILE 120 CO 0.03 0.40 -0.19 -0.37 -0.69 0.00 0.00 178.15 177.33 3hpq h VAL 121 N 0.63 0.60 -0.31 1.67 -1.51 -1.29 -2.31 116.25 113.74 3hpq h VAL 121 Ca 0.11 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3hpq h VAL 121 Cb 0.60 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3hpq h VAL 121 CO 0.04 0.19 0.00 0.61 -1.23 0.00 0.00 177.57 177.18 3hpq n GLY 122 N -0.28 1.30 3.72 5.19 0.00 -1.04 -4.96 105.19 109.12 3hpq n GLY 122 Ca -0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3hpq n GLY 122 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hpq s ARG 123 N -1.61 4.51 -0.03 1.61 3.52 -0.87 -1.53 118.95 124.56 3hpq s ARG 123 Ca 0.36 1.70 0.03 0.00 -0.13 0.00 0.00 55.73 57.69 3hpq s ARG 123 Cb 0.21 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3hpq s ARG 123 CO 0.30 -0.10 -0.12 1.03 -0.81 0.00 0.00 175.30 175.60 3hpq s ARG 124 N 0.49 1.19 0.19 5.12 1.81 -0.60 -4.60 118.95 122.55 3hpq s ARG 124 Ca 0.54 -0.43 0.09 0.00 -1.72 0.00 0.00 55.73 54.22 3hpq s ARG 124 Cb -0.28 -1.09 -0.04 0.00 -0.45 0.00 0.00 34.95 33.08 3hpq s ARG 124 CO 0.31 0.19 -0.18 0.14 -0.68 0.00 0.00 175.30 175.08 3hpq s VAL 125 N 0.01 1.94 -0.61 3.52 -7.23 0.23 0.09 120.40 118.35 3hpq s VAL 125 Ca -0.01 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 3hpq s VAL 125 Cb -0.08 -1.96 0.15 0.00 0.56 0.00 0.00 36.38 35.05 3hpq s VAL 125 CO 0.01 -0.36 0.54 -2.28 -0.31 0.00 0.00 175.10 172.70 3hpq s HIS 126 N -2.23 3.43 0.24 2.82 2.46 0.30 -1.14 115.29 121.17 3hpq s HIS 126 Ca 0.19 -1.66 -0.05 0.00 0.47 0.00 0.00 55.06 54.01 3hpq s HIS 126 Cb -0.05 -3.72 0.45 0.00 -0.13 0.00 0.00 32.58 29.12 3hpq s HIS 126 CO 0.08 -1.00 1.71 0.00 -2.47 0.00 0.00 174.74 173.06 3hpq h ALA 127 N 8.41 0.99 0.00 1.58 0.00 -1.90 0.21 119.26 128.56 3hpq h ALA 127 Ca -0.16 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hpq h ALA 127 Cb 1.07 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hpq h ALA 127 CO 0.91 -0.27 -0.02 -1.35 0.00 0.00 0.00 179.25 178.52 3hpq h PRO 128 N 0.36 0.00 0.00 0.00 0.11 -1.97 -3.23 132.00 127.26 3hpq h PRO 128 Ca 0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.47 3hpq h PRO 128 Cb 0.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 3hpq h PRO 128 CO -0.44 0.02 -1.31 -1.13 -0.21 0.00 0.00 178.00 174.93 3hpq n SER 129 N -4.05 3.67 0.00 -2.05 3.41 -0.75 -5.01 113.62 108.84 3hpq n SER 129 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3hpq n SER 129 Cb 0.10 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 3hpq n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hpq n GLY 130 N 2.40 0.79 3.69 5.00 0.00 0.66 -5.04 105.19 112.68 3hpq n GLY 130 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3hpq n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpq n ARG 131 N -2.00 1.97 -4.51 1.61 1.74 -1.22 -4.74 116.66 109.50 3hpq n ARG 131 Ca 0.00 0.69 -0.24 0.00 -0.77 0.00 0.00 57.85 57.53 3hpq n ARG 131 Cb 0.00 -2.30 -0.14 0.00 -1.02 0.00 0.00 32.46 29.01 3hpq n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hpq s VAL 132 N -1.14 1.58 0.24 1.55 1.01 -1.26 -0.54 120.40 121.84 3hpq s VAL 132 Ca 0.58 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3hpq s VAL 132 Cb -0.56 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3hpq s VAL 132 CO 0.60 0.11 0.11 -0.31 0.00 0.00 0.00 175.10 175.61 3hpq s TYR 133 N -0.89 1.44 -0.04 5.22 1.51 0.11 -4.96 117.35 119.74 3hpq s TYR 133 Ca 0.06 -1.24 0.01 0.00 -1.01 0.00 0.00 57.07 54.89 3hpq s TYR 133 Cb -0.09 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3hpq s TYR 133 CO 0.02 -0.42 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.42 3hpq s HIS 134 N -3.86 0.73 0.63 2.71 2.46 0.19 -1.55 115.29 116.60 3hpq s HIS 134 Ca 0.38 -0.20 0.41 0.00 0.47 0.00 0.00 55.06 56.13 3hpq s HIS 134 Cb 0.08 -0.66 2.27 0.00 -0.13 0.00 0.00 32.58 34.14 3hpq s HIS 134 CO 0.13 -0.19 2.34 -0.39 -2.47 0.00 0.00 174.74 174.16 3hpq h VAL 135 N 6.15 0.11 0.00 0.89 -1.51 -1.55 -0.69 116.25 119.66 3hpq h VAL 135 Ca -0.37 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3hpq h VAL 135 Cb 1.15 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3hpq h VAL 135 CO 0.46 0.00 -0.99 0.29 -1.23 0.00 0.00 177.57 176.10 3hpq n LYS 136 N -3.24 0.00 0.06 5.19 5.02 -1.26 -4.71 118.16 119.21 3hpq n LYS 136 Ca -0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 3hpq n LYS 136 Cb 0.08 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 3hpq n LYS 136 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3hpq h PHE 137 N 0.00 0.00 -0.10 2.13 0.04 -1.94 -3.42 116.94 113.65 3hpq h PHE 137 Ca 0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 3hpq h PHE 137 Cb 0.99 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.99 3hpq h PHE 137 CO 0.00 0.55 -0.51 -1.71 -0.60 0.00 0.00 178.31 176.04 3hpq n ASN 138 N -2.96 -2.60 -4.80 2.17 4.05 -0.89 -4.95 115.26 105.28 3hpq n ASN 138 Ca -0.07 -3.39 -0.32 0.00 0.45 0.00 0.00 54.58 51.25 3hpq n ASN 138 Cb 0.81 1.75 0.02 0.00 1.23 0.00 0.00 39.78 43.59 3hpq n ASN 138 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3hpq s PRO 139 N 0.48 3.18 0.76 1.20 0.02 -0.32 -0.64 135.00 139.69 3hpq s PRO 139 Ca 0.30 1.16 -0.11 0.00 0.02 0.00 0.00 61.00 62.36 3hpq s PRO 139 Cb 0.25 -2.02 0.05 0.00 0.02 0.00 0.00 34.50 32.80 3hpq s PRO 139 CO -0.19 -0.92 1.09 -1.25 -0.33 0.00 0.00 177.00 175.41 3hpq s PRO 140 N -4.30 2.31 0.22 5.54 0.04 -1.26 -4.89 135.00 132.65 3hpq s PRO 140 Ca 0.62 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 3hpq s PRO 140 Cb -0.16 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.79 3hpq s PRO 140 CO 0.41 -1.61 1.74 -0.22 0.04 0.00 0.00 177.00 177.37 3hpq h LYS 141 N -0.99 0.42 -5.22 4.56 3.64 -1.95 -3.38 116.57 113.65 3hpq h LYS 141 Ca -0.44 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.24 3hpq h LYS 141 Cb 1.23 -0.10 -0.33 0.00 -0.41 0.00 0.00 32.23 32.63 3hpq h LYS 141 CO 0.52 0.28 -0.85 0.08 -2.27 0.00 0.00 179.45 177.20 3hpq s VAL 142 N -6.08 2.24 -0.12 2.00 1.01 -1.26 -5.08 120.40 113.11 3hpq s VAL 142 Ca -0.13 -0.93 -0.39 0.00 0.00 0.00 0.00 61.98 60.54 3hpq s VAL 142 Cb 0.18 -1.90 -0.17 0.00 0.00 0.00 0.00 36.38 34.49 3hpq s VAL 142 CO 0.75 0.54 1.52 1.21 0.00 0.00 0.00 175.10 179.13 3hpq n GLU 143 N 3.98 1.02 -0.99 2.72 2.13 -1.26 -1.29 120.64 126.95 3hpq n GLU 143 Ca -0.20 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3hpq n GLU 143 Cb 0.52 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3hpq n GLU 143 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hpq n GLY 144 N 3.31 0.43 3.25 8.31 0.00 -1.26 -5.01 105.19 114.22 3hpq n GLY 144 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3hpq n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpq s LYS 145 N -0.43 1.90 0.24 1.61 -0.14 -0.41 -0.78 119.74 121.72 3hpq s LYS 145 Ca 0.00 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.49 3hpq s LYS 145 Cb 0.00 -1.81 -0.10 0.00 -1.68 0.00 0.00 37.83 34.24 3hpq s LYS 145 CO 0.00 0.47 1.42 0.34 -0.76 0.00 0.00 175.35 176.82 3hpq s ASP 146 N -0.48 6.70 0.34 2.83 2.15 0.04 -4.55 116.67 123.69 3hpq s ASP 146 Ca 0.07 2.61 0.02 0.00 0.43 0.00 0.00 52.55 55.69 3hpq s ASP 146 Cb -0.09 -2.62 0.59 0.00 -0.30 0.00 0.00 42.92 40.50 3hpq s ASP 146 CO -0.00 -0.67 1.95 0.44 -0.17 0.00 0.00 175.17 176.71 3hpq h ASP 147 N 5.16 0.68 0.16 -0.34 3.32 -1.93 0.28 116.42 123.75 3hpq h ASP 147 Ca -0.46 -0.06 -0.32 0.00 0.02 0.00 0.00 57.03 56.21 3hpq h ASP 147 Cb 1.22 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.60 3hpq h ASP 147 CO 0.78 0.57 -1.60 0.58 -1.72 0.00 0.00 179.24 177.85 3hpq h VAL 148 N 0.76 0.99 0.00 -1.35 2.07 -1.98 -3.40 116.25 113.34 3hpq h VAL 148 Ca 0.19 -2.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 3hpq h VAL 148 Cb 0.07 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3hpq h VAL 148 CO -0.03 0.80 -1.56 0.35 0.02 0.00 0.00 177.57 177.16 3hpq n THR 149 N -3.73 0.03 -0.98 2.57 -2.24 -1.23 -5.00 114.28 103.69 3hpq n THR 149 Ca -0.25 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3hpq n THR 149 Cb 1.00 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3hpq n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hpq n GLY 150 N 1.84 0.87 3.79 3.38 0.00 0.98 -4.97 105.19 111.08 3hpq n GLY 150 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3hpq n GLY 150 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpq s GLU 151 N -0.02 3.48 0.15 1.61 2.02 -1.26 -4.37 118.70 120.31 3hpq s GLU 151 Ca 0.00 1.36 -0.31 0.00 0.02 0.00 0.00 54.97 56.04 3hpq s GLU 151 Cb 0.00 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 3hpq s GLU 151 CO 0.00 -0.70 1.67 -2.00 0.02 0.00 0.00 175.26 174.25 3hpq s GLU 152 N -3.59 4.18 0.64 1.61 2.56 -1.26 -0.78 118.70 122.05 3hpq s GLU 152 Ca 0.67 2.46 -0.13 0.00 0.00 0.00 0.00 54.97 57.97 3hpq s GLU 152 Cb -0.18 -3.31 -0.02 0.00 2.00 0.00 0.00 34.13 32.62 3hpq s GLU 152 CO 0.28 -0.71 1.05 -0.51 -0.56 0.00 0.00 175.26 174.81 3hpq s LEU 153 N 1.75 3.31 0.34 2.70 1.43 0.04 -4.86 118.68 123.40 3hpq s LEU 153 Ca 0.74 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.54 3hpq s LEU 153 Cb -0.45 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.21 3hpq s LEU 153 CO 0.33 -1.23 0.08 0.42 0.23 0.00 0.00 176.35 176.18 3hpq s THR 154 N -2.80 1.00 -0.11 5.49 -4.23 -0.29 -4.91 115.64 109.79 3hpq s THR 154 Ca 0.60 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3hpq s THR 154 Cb -0.14 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 3hpq s THR 154 CO 0.46 0.00 -0.10 0.42 -0.54 0.00 0.00 174.62 174.87 3hpq s THR 155 N -3.30 3.39 0.35 3.99 -4.23 -1.26 -0.60 115.64 113.98 3hpq s THR 155 Ca 0.33 -0.56 -0.28 0.00 -1.18 0.00 0.00 61.69 60.00 3hpq s THR 155 Cb 0.07 -2.41 -0.10 0.00 1.34 0.00 0.00 72.50 71.40 3hpq s THR 155 CO 0.15 0.55 1.32 -0.13 -0.54 0.00 0.00 174.62 175.97 3hpq s ARG 156 N -0.12 4.26 0.59 3.99 0.52 -1.26 -4.90 118.95 122.03 3hpq s ARG 156 Ca 0.00 2.24 0.37 0.00 -0.52 0.00 0.00 55.73 57.82 3hpq s ARG 156 Cb -0.13 -3.00 1.82 0.00 0.52 0.00 0.00 34.95 34.15 3hpq s ARG 156 CO 0.03 -0.28 2.16 0.87 0.02 0.00 0.00 175.30 178.11 3hpq h LYS 157 N 3.21 0.00 -0.46 3.54 6.56 -2.00 -2.41 116.57 125.01 3hpq h LYS 157 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3hpq h LYS 157 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3hpq h LYS 157 CO 0.65 0.03 0.00 -0.40 -2.06 0.00 0.00 179.45 177.67 3hpq n ASP 158 N -3.23 4.56 -2.15 0.86 5.75 -1.26 -4.57 116.55 116.51 3hpq n ASP 158 Ca -0.01 -2.73 -0.23 0.00 -0.01 0.00 0.00 54.79 51.80 3hpq n ASP 158 Cb 0.19 -0.56 0.16 0.00 -1.03 0.00 0.00 41.12 39.88 3hpq n ASP 158 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hpq n ASP 159 N 0.36 4.12 -4.91 -1.12 8.00 -0.91 -4.40 116.55 117.68 3hpq n ASP 159 Ca 0.23 -3.51 -0.28 0.00 0.71 0.00 0.00 54.79 51.95 3hpq n ASP 159 Cb 0.93 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3hpq n ASP 159 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3hpq s GLN 160 N -3.10 3.59 0.17 -1.24 0.74 -1.26 -4.06 119.66 114.50 3hpq s GLN 160 Ca 0.53 -0.11 -0.17 0.00 0.05 0.00 0.00 55.36 55.67 3hpq s GLN 160 Cb 0.45 -2.71 0.10 0.00 1.10 0.00 0.00 33.01 31.95 3hpq s GLN 160 CO 0.09 0.27 1.68 1.49 -0.55 0.00 0.00 175.29 178.26 3hpq h GLU 161 N 1.75 0.03 -0.59 1.67 4.81 -1.92 -0.04 114.58 120.28 3hpq h GLU 161 Ca -0.48 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3hpq h GLU 161 Cb 1.19 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 3hpq h GLU 161 CO 0.67 0.02 0.37 1.49 -0.73 0.00 0.00 179.01 180.82 3hpq h GLU 162 N 0.03 0.71 -0.65 1.92 4.57 -1.97 -0.91 114.58 118.26 3hpq h GLU 162 Ca 0.19 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3hpq h GLU 162 Cb 0.29 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3hpq h GLU 162 CO -0.39 0.47 0.13 1.15 -1.18 0.00 0.00 179.01 179.19 3hpq h THR 163 N 0.73 1.26 -0.73 0.32 2.02 -1.67 -2.78 112.91 112.05 3hpq h THR 163 Ca 0.24 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 3hpq h THR 163 Cb 0.01 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3hpq h THR 163 CO -0.09 0.37 0.38 0.58 0.37 0.00 0.00 175.52 177.13 3hpq h VAL 164 N 0.99 1.23 -0.82 3.16 2.07 -0.42 -2.22 116.25 120.24 3hpq h VAL 164 Ca 0.20 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.21 3hpq h VAL 164 Cb 0.39 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3hpq h VAL 164 CO 0.01 0.26 0.47 0.03 0.02 0.00 0.00 177.57 178.36 3hpq h ARG 165 N 1.01 0.78 -0.41 1.57 3.08 -0.92 -1.86 114.38 117.64 3hpq h ARG 165 Ca 0.25 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3hpq h ARG 165 Cb 0.07 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3hpq h ARG 165 CO -0.04 0.52 0.06 0.87 -1.07 0.00 0.00 179.97 180.31 3hpq h LYS 166 N 0.81 0.68 -0.89 0.04 1.57 -1.22 -2.26 116.57 115.29 3hpq h LYS 166 Ca 0.39 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3hpq h LYS 166 Cb 0.32 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3hpq h LYS 166 CO -0.23 0.73 0.58 0.00 -0.57 0.00 0.00 179.45 179.96 3hpq h ARG 167 N 0.53 1.11 -0.08 3.15 3.08 -1.00 -1.25 114.38 119.91 3hpq h ARG 167 Ca 0.12 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3hpq h ARG 167 Cb 0.39 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3hpq h ARG 167 CO 0.01 0.73 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.48 3hpq h LEU 168 N 1.14 -0.30 -0.56 3.04 3.38 -1.09 0.48 115.31 121.40 3hpq h LEU 168 Ca 0.35 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.44 3hpq h LEU 168 Cb -0.03 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3hpq h LEU 168 CO -0.11 -0.13 0.25 0.58 0.09 0.00 0.00 178.44 179.12 3hpq h VAL 169 N -0.13 0.88 -0.75 1.22 2.07 -0.89 -1.79 116.25 116.86 3hpq h VAL 169 Ca 0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3hpq h VAL 169 Cb 0.22 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3hpq h VAL 169 CO -0.16 0.09 0.48 -0.33 0.02 0.00 0.00 177.57 177.67 3hpq h GLU 170 N 0.48 1.00 0.32 1.57 4.39 -0.83 -2.74 114.58 118.77 3hpq h GLU 170 Ca 0.26 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 3hpq h GLU 170 Cb 0.24 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3hpq h GLU 170 CO -0.22 0.68 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.24 3hpq h TYR 171 N 1.02 -0.40 0.00 4.33 3.20 -0.10 0.37 116.97 125.39 3hpq h TYR 171 Ca 0.27 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 3hpq h TYR 171 Cb -0.09 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3hpq h TYR 171 CO -0.02 -0.19 -0.05 0.45 -1.64 0.00 0.00 178.16 176.71 3hpq h HIS 172 N -0.51 0.00 0.04 -3.82 3.86 -1.35 0.29 115.15 113.66 3hpq h HIS 172 Ca -0.04 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.98 3hpq h HIS 172 Cb 0.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3hpq h HIS 172 CO -0.03 0.05 -1.01 0.37 0.86 0.00 0.00 177.93 178.17 3hpq h GLN 173 N 0.00 0.08 0.00 2.45 4.15 -1.19 -3.40 115.11 117.20 3hpq h GLN 173 Ca -0.00 -0.13 -0.30 0.00 0.77 0.00 0.00 58.65 58.99 3hpq h GLN 173 Cb 0.11 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 3hpq h GLN 173 CO 0.01 1.06 -2.29 -1.33 -1.93 0.00 0.00 178.83 174.35 3hpq n MET 174 N -4.31 0.75 -0.05 1.69 2.81 0.13 -4.74 117.12 113.40 3hpq n MET 174 Ca -0.24 -0.04 -0.06 0.00 -1.81 0.00 0.00 57.70 55.54 3hpq n MET 174 Cb 0.70 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.64 3hpq n MET 174 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3hpq n THR 175 N -2.64 0.69 -0.32 2.03 -1.04 0.83 -4.27 114.28 109.55 3hpq n THR 175 Ca -0.27 -0.36 0.16 0.00 -2.04 0.00 0.00 64.05 61.54 3hpq n THR 175 Cb 1.04 -0.82 0.39 0.00 -1.82 0.00 0.00 70.33 69.11 3hpq n THR 175 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hpq h ALA 176 N 0.29 1.86 0.00 2.41 0.00 -1.20 -0.79 119.26 121.83 3hpq h ALA 176 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hpq h ALA 176 Cb 1.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3hpq h ALA 176 CO -0.01 -0.22 0.00 -2.30 0.00 0.00 0.00 179.25 176.72 3hpq n PRO 177 N -4.69 0.07 0.24 0.00 -0.02 -1.26 -1.71 135.00 127.62 3hpq n PRO 177 Ca 0.23 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 3hpq n PRO 177 Cb 0.64 -1.71 0.54 0.00 -0.02 0.00 0.00 33.50 32.95 3hpq n PRO 177 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hpq h LEU 178 N 0.00 0.00 0.16 2.45 3.38 -1.44 -2.35 115.31 117.50 3hpq h LEU 178 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hpq h LEU 178 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hpq h LEU 178 CO 0.00 0.17 -0.07 0.40 0.09 0.00 0.00 178.44 179.03 3hpq h ILE 179 N 0.00 0.85 -0.54 1.22 2.04 -1.53 -1.42 117.51 118.13 3hpq h ILE 179 Ca -0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 3hpq h ILE 179 Cb 0.64 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3hpq h ILE 179 CO 0.02 0.01 0.03 1.23 0.00 0.00 0.00 178.15 179.43 3hpq h GLY 180 N -0.22 0.98 0.41 5.37 0.00 -1.72 -0.64 103.07 107.25 3hpq h GLY 180 Ca -0.02 -0.66 0.06 0.00 0.00 0.00 0.00 47.33 46.71 3hpq h GLY 180 CO 0.04 0.61 -0.09 -1.82 0.00 0.00 0.00 176.54 175.28 3hpq h TYR 181 N 0.84 -0.20 0.00 5.60 5.03 -1.14 -0.79 116.97 126.31 3hpq h TYR 181 Ca 0.16 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.38 3hpq h TYR 181 Cb 0.46 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 3hpq h TYR 181 CO 0.03 -0.15 -0.87 1.88 -1.32 0.00 0.00 178.16 177.74 3hpq h TYR 182 N -0.03 0.00 -0.95 -3.82 0.05 -1.18 -1.95 116.97 109.09 3hpq h TYR 182 Ca 0.14 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.93 3hpq h TYR 182 Cb 0.24 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3hpq h TYR 182 CO -0.28 0.50 0.63 0.77 -1.05 0.00 0.00 178.16 178.73 3hpq h SER 183 N 0.00 1.08 -0.26 3.88 0.02 -0.94 0.26 113.55 117.59 3hpq h SER 183 Ca -0.06 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3hpq h SER 183 Cb 1.44 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3hpq h SER 183 CO 0.05 0.78 0.03 0.50 -1.14 0.00 0.00 176.83 177.05 3hpq h LYS 184 N 1.27 0.43 -0.66 3.45 3.64 -1.02 -1.59 116.57 122.10 3hpq h LYS 184 Ca 0.35 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 3hpq h LYS 184 Cb -0.12 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 3hpq h LYS 184 CO -0.08 0.56 0.33 0.93 -2.27 0.00 0.00 179.45 178.92 3hpq h GLU 185 N 0.24 0.56 -0.72 1.90 4.39 -0.93 -1.92 114.58 118.10 3hpq h GLU 185 Ca 0.08 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3hpq h GLU 185 Cb 0.35 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3hpq h GLU 185 CO 0.01 0.37 0.33 0.00 -1.16 0.00 0.00 179.01 178.56 3hpq h ALA 186 N 1.39 1.22 0.00 3.43 0.00 -0.20 -1.59 119.26 123.52 3hpq h ALA 186 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hpq h ALA 186 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hpq h ALA 186 CO -0.24 0.59 0.00 0.93 0.00 0.00 0.00 179.25 180.53 3hpq h GLU 187 N 1.03 0.00 -0.00 0.00 5.08 -0.71 -1.94 114.58 118.04 3hpq h GLU 187 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3hpq h GLU 187 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hpq h GLU 187 CO -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.93 3hpq n ALA 188 N -2.05 2.59 -1.31 3.43 0.00 -0.65 -4.89 120.51 117.62 3hpq n ALA 188 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3hpq n ALA 188 Cb 0.35 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 3hpq n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpq n GLY 189 N 1.32 0.50 0.07 0.00 0.00 -0.73 -4.93 105.19 101.43 3hpq n GLY 189 Ca 0.13 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.34 3hpq n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hpq n ASN 190 N 1.57 0.67 -3.48 1.61 3.02 -0.87 -5.00 115.26 112.78 3hpq n ASN 190 Ca -0.03 0.12 -0.05 0.00 -0.03 0.00 0.00 54.58 54.59 3hpq n ASN 190 Cb 0.19 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3hpq n ASN 190 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hpq s THR 191 N -3.30 0.00 -0.08 3.41 -1.32 -1.25 -4.58 115.64 108.52 3hpq s THR 191 Ca 0.01 -0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 59.68 3hpq s THR 191 Cb 0.12 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 3hpq s THR 191 CO 0.79 0.00 -0.01 -0.75 -2.21 0.00 0.00 174.62 172.44 3hpq s LYS 192 N -2.91 2.94 0.01 7.08 2.20 -0.60 -4.26 119.74 124.19 3hpq s LYS 192 Ca 0.15 -0.43 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 3hpq s LYS 192 Cb -0.04 -2.75 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 3hpq s LYS 192 CO 0.06 0.70 -0.24 -0.47 -0.36 0.00 0.00 175.35 175.03 3hpq s TYR 193 N -0.87 2.17 -0.05 4.03 6.14 -1.26 -0.79 117.35 126.71 3hpq s TYR 193 Ca 0.13 -0.41 -0.20 0.00 0.64 0.00 0.00 57.07 57.24 3hpq s TYR 193 Cb -0.11 -1.36 0.04 0.00 0.42 0.00 0.00 41.96 40.95 3hpq s TYR 193 CO 0.02 0.03 0.44 0.00 0.64 0.00 0.00 175.55 176.68 3hpq s ALA 194 N -0.67 -1.12 -0.02 3.97 0.00 -0.67 -4.97 121.76 118.27 3hpq s ALA 194 Ca 0.10 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.90 3hpq s ALA 194 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3hpq s ALA 194 CO 0.00 -0.28 -0.25 0.21 0.00 0.00 0.00 175.76 175.44 3hpq s LYS 195 N -1.02 2.12 0.23 0.00 2.20 -1.26 -0.07 119.74 121.94 3hpq s LYS 195 Ca -0.11 -0.90 0.11 0.00 -0.36 0.00 0.00 55.97 54.71 3hpq s LYS 195 Cb -0.03 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 3hpq s LYS 195 CO 0.05 0.52 -0.20 0.14 -0.36 0.00 0.00 175.35 175.50 3hpq s VAL 196 N -0.53 2.28 -0.67 4.02 -7.23 0.22 -4.95 120.40 113.55 3hpq s VAL 196 Ca 0.08 -2.23 -0.26 0.00 -1.81 0.00 0.00 61.98 57.76 3hpq s VAL 196 Cb -0.10 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.70 3hpq s VAL 196 CO -0.00 -0.34 1.17 -0.62 -0.31 0.00 0.00 175.10 174.99 3hpq s ASP 197 N -3.17 6.24 0.00 4.85 2.15 -1.26 -0.78 116.67 124.71 3hpq s ASP 197 Ca 0.25 -0.42 0.18 0.00 0.43 0.00 0.00 52.55 52.99 3hpq s ASP 197 Cb -0.05 -2.52 1.06 0.00 -0.30 0.00 0.00 42.92 41.11 3hpq s ASP 197 CO 0.12 -1.62 1.58 0.61 -0.17 0.00 0.00 175.17 175.68 3hpq n GLY 198 N 5.27 -0.84 0.46 2.66 0.00 -0.28 -2.80 105.19 109.66 3hpq n GLY 198 Ca 0.03 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3hpq n GLY 198 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hpq n THR 199 N -0.83 0.00 -1.23 2.61 -2.24 -1.26 -4.91 114.28 106.42 3hpq n THR 199 Ca 0.13 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 3hpq n THR 199 Cb 0.06 0.92 0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3hpq n THR 199 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hpq s LYS 200 N -2.40 2.03 0.68 -0.78 1.02 -1.12 -5.00 119.74 114.18 3hpq s LYS 200 Ca 0.23 1.12 -0.17 0.00 0.02 0.00 0.00 55.97 57.17 3hpq s LYS 200 Cb 0.19 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 3hpq s LYS 200 CO 0.51 -1.79 1.17 -2.30 -0.92 0.00 0.00 175.35 172.01 3hpq n PRO 201 N -3.62 0.81 -0.26 -1.68 -0.02 -1.26 -4.70 135.00 124.27 3hpq n PRO 201 Ca 0.09 0.33 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 3hpq n PRO 201 Cb 0.53 -2.40 0.21 0.00 -0.02 0.00 0.00 33.50 31.82 3hpq n PRO 201 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hpq h VAL 202 N 0.13 0.45 -1.00 -1.45 2.07 -1.94 -0.11 116.25 114.40 3hpq h VAL 202 Ca -0.49 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3hpq h VAL 202 Cb 1.34 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3hpq h VAL 202 CO 0.50 0.04 0.65 0.00 0.02 0.00 0.00 177.57 178.79 3hpq h ALA 203 N 1.66 1.37 -0.10 1.67 0.00 -1.99 -1.84 119.26 120.03 3hpq h ALA 203 Ca 0.45 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.13 3hpq h ALA 203 Cb 0.81 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hpq h ALA 203 CO -0.56 0.51 -0.69 0.93 0.00 0.00 0.00 179.25 179.43 3hpq h GLU 204 N 1.22 0.65 -0.82 0.00 5.08 -1.37 -1.85 114.58 117.49 3hpq h GLU 204 Ca 0.41 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3hpq h GLU 204 Cb 0.06 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3hpq h GLU 204 CO -0.14 1.18 0.44 0.28 -1.00 0.00 0.00 179.01 179.77 3hpq h VAL 205 N 0.31 1.25 -0.87 3.13 2.07 -1.29 0.35 116.25 121.19 3hpq h VAL 205 Ca -0.06 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.86 3hpq h VAL 205 Cb 1.34 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3hpq h VAL 205 CO 0.14 0.28 0.57 -0.09 0.02 0.00 0.00 177.57 178.49 3hpq h ARG 206 N 1.15 1.09 -0.54 1.57 2.43 -1.25 0.12 114.38 118.96 3hpq h ARG 206 Ca 0.29 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3hpq h ARG 206 Cb 0.05 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3hpq h ARG 206 CO -0.04 0.72 0.06 0.00 -1.51 0.00 0.00 179.97 179.20 3hpq h ALA 207 N 1.35 0.72 -0.40 2.80 0.00 -0.56 -1.58 119.26 121.59 3hpq h ALA 207 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hpq h ALA 207 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hpq h ALA 207 CO -0.10 0.48 0.19 -0.44 0.00 0.00 0.00 179.25 179.39 3hpq h ASP 208 N 0.79 0.53 -0.73 0.00 3.32 -0.39 -1.59 116.42 118.36 3hpq h ASP 208 Ca 0.16 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3hpq h ASP 208 Cb 0.44 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3hpq h ASP 208 CO 0.02 0.51 0.30 -0.07 -1.72 0.00 0.00 179.24 178.27 3hpq h LEU 209 N 0.51 1.01 -1.23 1.55 3.38 -0.89 -2.47 115.31 117.17 3hpq h LEU 209 Ca 0.14 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hpq h LEU 209 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hpq h LEU 209 CO -0.02 0.89 -0.32 -0.08 0.09 0.00 0.00 178.44 179.01 3hpq h GLU 210 N 1.08 0.11 -0.07 1.13 4.57 -0.96 -0.38 114.58 120.07 3hpq h GLU 210 Ca 0.25 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3hpq h GLU 210 Cb 0.19 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3hpq h GLU 210 CO -0.02 0.42 -0.24 -0.22 -1.18 0.00 0.00 179.01 177.77 3hpq h LYS 211 N 0.10 0.11 0.17 1.92 3.64 -0.83 0.12 116.57 121.80 3hpq h LYS 211 Ca 0.01 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 3hpq h LYS 211 Cb 0.62 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3hpq h LYS 211 CO 0.04 0.36 -1.47 0.82 -2.27 0.00 0.00 179.45 176.93 3hpq h ILE 212 N 0.10 1.25 0.10 2.00 2.04 -1.11 -3.39 117.51 118.51 3hpq h ILE 212 Ca 0.02 -2.80 -0.35 0.00 1.00 0.00 0.00 64.86 62.73 3hpq h ILE 212 Cb 0.49 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 3hpq h ILE 212 CO 0.03 0.84 -1.91 0.18 0.00 0.00 0.00 178.15 177.30 3hpq n LEU 213 N -3.57 2.52 0.00 1.44 4.77 -0.24 -5.12 117.00 116.80 3hpq n LEU 213 Ca -0.16 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3hpq n LEU 213 Cb 1.06 -1.08 0.68 0.00 -2.33 0.00 0.00 43.42 41.75 3hpq n LEU 213 CO 0.54 0.76 0.87 0.61 -1.33 0.00 0.00 177.39 178.84