#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 3.05 0.02 2.12 0.52 -1.26 -1.83 118.95 121.57 3hpq s ARG 2 Ca 0.00 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3hpq s ARG 2 Cb 0.00 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3hpq s ARG 2 CO 0.00 0.21 -0.10 0.42 0.02 0.00 0.00 175.30 175.85 3hpq s ILE 3 N 0.28 0.79 -0.09 1.52 1.01 -0.98 -0.43 121.20 123.32 3hpq s ILE 3 Ca -0.16 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3hpq s ILE 3 Cb -0.17 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3hpq s ILE 3 CO 0.08 0.03 -0.16 -0.63 0.00 0.00 0.00 174.94 174.26 3hpq s ILE 4 N -0.62 2.85 -0.21 2.92 1.01 -0.27 -0.37 121.20 126.51 3hpq s ILE 4 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 3hpq s ILE 4 Cb -0.06 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3hpq s ILE 4 CO 0.00 0.56 0.07 -0.76 0.00 0.00 0.00 174.94 174.81 3hpq s LEU 5 N -0.16 3.72 0.00 2.97 1.43 -0.70 -0.62 118.68 125.33 3hpq s LEU 5 Ca -0.01 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3hpq s LEU 5 Cb -0.14 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3hpq s LEU 5 CO 0.03 0.11 -0.22 -0.22 0.23 0.00 0.00 176.35 176.28 3hpq s LEU 6 N 0.78 2.36 0.00 1.79 2.96 0.12 -4.23 118.68 122.45 3hpq s LEU 6 Ca 0.04 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3hpq s LEU 6 Cb -0.13 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.14 3hpq s LEU 6 CO 0.02 0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 3hpq n GLY 7 N 2.05 3.22 3.68 7.98 0.00 -1.26 0.39 105.19 121.26 3hpq n GLY 7 Ca -0.16 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 1.37 0.05 4.61 0.00 -1.26 -4.87 121.76 119.66 3hpq s ALA 8 Ca 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 51.96 51.74 3hpq s ALA 8 Cb 0.00 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.67 3hpq s ALA 8 CO 0.00 -2.56 1.31 -2.30 0.00 0.00 0.00 175.76 172.21 3hpq n PRO 9 N -4.05 0.92 -0.99 0.00 -0.02 -1.26 -1.72 135.00 127.87 3hpq n PRO 9 Ca 0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hpq n PRO 9 Cb 0.54 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 2.43 0.49 0.29 -1.23 0.00 -1.26 -4.84 105.19 101.06 3hpq n GLY 10 Ca 0.19 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.40 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 1.00 0.00 4.61 0.00 -1.67 -3.46 119.26 119.74 3hpq h ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hpq h ALA 11 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hpq h ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hpq n GLY 12 N -0.56 1.42 0.31 0.00 0.00 -1.26 -4.78 105.19 100.32 3hpq n GLY 12 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.46 -0.67 -0.40 1.61 1.57 -1.92 -2.81 116.57 114.41 3hpq h LYS 13 Ca 0.00 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hpq h LYS 13 Cb 0.00 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hpq h LYS 13 CO 0.00 -0.45 0.16 0.78 -0.57 0.00 0.00 179.45 179.37 3hpq h GLY 14 N -0.70 0.60 0.98 3.86 0.00 -1.96 -0.61 103.07 105.24 3hpq h GLY 14 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3hpq h GLY 14 CO 0.07 0.27 0.26 -0.84 0.00 0.00 0.00 176.54 176.30 3hpq h THR 15 N 0.56 1.15 0.00 4.70 2.02 -1.91 -2.89 112.91 116.54 3hpq h THR 15 Ca 0.14 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3hpq h THR 15 Cb 0.12 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hpq h THR 15 CO -0.01 0.16 -0.40 1.56 0.37 0.00 0.00 175.52 177.19 3hpq h GLN 16 N 0.59 0.00 -0.88 6.66 1.08 -1.11 -3.16 115.11 118.28 3hpq h GLN 16 Ca 0.16 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3hpq h GLN 16 Cb 0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 3hpq h GLN 16 CO -0.03 0.40 0.58 0.00 -0.95 0.00 0.00 178.83 178.83 3hpq h ALA 17 N 1.60 1.15 -0.96 3.87 0.00 -0.93 -1.47 119.26 122.52 3hpq h ALA 17 Ca -0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3hpq h ALA 17 Cb 1.22 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3hpq h ALA 17 CO 0.05 0.45 0.62 1.96 0.00 0.00 0.00 179.25 182.33 3hpq h GLN 18 N 1.14 0.95 0.02 0.00 4.20 -1.50 -0.02 115.11 119.90 3hpq h GLN 18 Ca 0.34 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3hpq h GLN 18 Cb -0.04 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.52 3hpq h GLN 18 CO -0.10 0.63 -0.01 0.74 -0.67 0.00 0.00 178.83 179.41 3hpq h PHE 19 N 0.98 -0.03 -0.93 2.96 0.04 -1.46 0.19 116.94 118.68 3hpq h PHE 19 Ca 0.46 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.35 3hpq h PHE 19 Cb 0.42 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 3hpq h PHE 19 CO -0.00 0.56 0.59 0.82 -0.60 0.00 0.00 178.31 179.68 3hpq h ILE 20 N -0.65 0.90 0.12 -0.55 2.04 -1.00 0.17 117.51 118.54 3hpq h ILE 20 Ca -0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3hpq h ILE 20 Cb 0.60 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3hpq h ILE 20 CO 0.01 0.15 -0.06 -0.03 0.00 0.00 0.00 178.15 178.22 3hpq h MET 21 N 0.84 -0.15 -0.40 2.37 1.85 -1.00 -1.21 114.93 117.23 3hpq h MET 21 Ca 0.45 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 59.67 3hpq h MET 21 Cb 0.56 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.60 3hpq h MET 21 CO -0.22 0.34 0.56 0.93 -0.40 0.00 0.00 176.91 178.11 3hpq h GLU 22 N -0.80 0.00 0.00 0.39 5.08 -0.16 -1.84 114.58 117.25 3hpq h GLU 22 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3hpq h GLU 22 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3hpq h GLU 22 CO 0.03 0.00 -1.57 1.17 -1.00 0.00 0.00 179.01 177.63 3hpq n LYS 23 N -3.43 0.55 -0.28 2.33 0.00 0.01 -4.64 118.16 112.70 3hpq n LYS 23 Ca 0.07 0.25 0.10 0.00 0.00 0.00 0.00 58.31 58.74 3hpq n LYS 23 Cb 0.72 -1.47 0.27 0.00 0.00 0.00 0.00 35.03 34.54 3hpq n LYS 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hpq n TYR 24 N -4.39 0.75 -3.38 5.64 4.01 -0.46 -4.96 117.16 114.37 3hpq n TYR 24 Ca -0.30 -0.37 -0.24 0.00 -0.16 0.00 0.00 57.90 56.83 3hpq n TYR 24 Cb 0.65 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.73 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 1.45 -0.53 3.48 2.72 0.00 -0.70 -5.01 105.19 106.60 3hpq n GLY 25 Ca 0.20 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.22 2.81 0.44 -0.61 -4.36 -1.26 -5.02 121.20 109.99 3hpq s ILE 26 Ca 0.46 -1.42 -0.22 0.00 -0.26 0.00 0.00 60.65 59.21 3hpq s ILE 26 Cb -0.21 -2.26 -0.09 0.00 1.25 0.00 0.00 42.46 41.15 3hpq s ILE 26 CO 0.57 0.17 1.05 -2.84 0.24 0.00 0.00 174.94 174.13 3hpq s PRO 27 N -1.94 3.97 -0.13 0.37 0.02 -1.26 -4.48 135.00 131.55 3hpq s PRO 27 Ca 0.17 1.44 -0.22 0.00 0.02 0.00 0.00 61.00 62.41 3hpq s PRO 27 Cb -0.11 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.07 3hpq s PRO 27 CO 0.09 -0.30 0.68 -1.14 -0.33 0.00 0.00 177.00 176.00 3hpq s GLN 28 N -2.87 4.33 -0.65 5.54 0.74 -1.26 -0.86 119.66 124.63 3hpq s GLN 28 Ca 0.63 0.77 -0.03 0.00 0.05 0.00 0.00 55.36 56.77 3hpq s GLN 28 Cb -0.19 -3.51 0.17 0.00 1.10 0.00 0.00 33.01 30.57 3hpq s GLN 28 CO 0.24 -0.09 0.47 0.42 -0.55 0.00 0.00 175.29 175.78 3hpq s ILE 29 N 1.38 3.84 -0.37 -2.34 1.01 0.18 -4.93 121.20 119.96 3hpq s ILE 29 Ca 0.34 -2.99 -0.13 0.00 0.00 0.00 0.00 60.65 57.87 3hpq s ILE 29 Cb -0.17 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3hpq s ILE 29 CO 0.14 -0.90 0.25 -0.55 0.00 0.00 0.00 174.94 173.88 3hpq s SER 30 N 0.70 5.96 0.30 3.58 0.15 -1.26 -1.36 113.70 121.77 3hpq s SER 30 Ca 0.17 -0.73 0.02 0.00 0.70 0.00 0.00 55.95 56.11 3hpq s SER 30 Cb -0.19 -2.11 0.47 0.00 -1.71 0.00 0.00 66.02 62.47 3hpq s SER 30 CO -0.04 -0.35 1.79 0.71 1.20 0.00 0.00 173.24 176.55 3hpq h THR 31 N 5.64 1.23 -0.21 6.45 1.35 -1.84 -0.86 112.91 124.68 3hpq h THR 31 Ca -0.29 -1.03 0.01 0.00 -0.55 0.00 0.00 66.41 64.55 3hpq h THR 31 Cb 1.13 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3hpq h THR 31 CO 0.68 0.34 0.12 1.23 -0.25 0.00 0.00 175.52 177.64 3hpq h GLY 32 N 0.94 0.28 0.99 5.82 0.00 -1.88 0.18 103.07 109.39 3hpq h GLY 32 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3hpq h GLY 32 CO 0.03 0.09 0.33 -0.55 0.00 0.00 0.00 176.54 176.44 3hpq h ASP 33 N 0.25 0.57 -0.57 0.19 3.32 -1.88 -1.21 116.42 117.09 3hpq h ASP 33 Ca 0.08 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3hpq h ASP 33 Cb -0.01 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3hpq h ASP 33 CO -0.03 0.41 0.18 0.24 -1.72 0.00 0.00 179.24 178.32 3hpq h MET 34 N 0.68 0.88 -0.39 3.56 2.86 -0.79 -0.41 114.93 121.32 3hpq h MET 34 Ca 0.19 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3hpq h MET 34 Cb -0.07 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3hpq h MET 34 CO -0.05 0.80 -0.11 -0.07 1.06 0.00 0.00 176.91 178.54 3hpq h LEU 35 N 0.80 0.78 -0.46 1.22 3.38 -0.54 -0.49 115.31 120.00 3hpq h LEU 35 Ca 0.18 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3hpq h LEU 35 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hpq h LEU 35 CO -0.01 0.97 0.26 0.03 0.09 0.00 0.00 178.44 179.79 3hpq h ARG 36 N 0.58 0.64 -0.77 1.13 3.08 -1.12 -0.97 114.38 116.94 3hpq h ARG 36 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hpq h ARG 36 Cb 0.64 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3hpq h ARG 36 CO 0.04 0.49 0.49 0.00 -1.07 0.00 0.00 179.97 179.92 3hpq h ALA 37 N 1.11 0.99 -0.62 0.04 0.00 -0.93 -0.91 119.26 118.94 3hpq h ALA 37 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hpq h ALA 37 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3hpq h ALA 37 CO -0.03 0.43 0.30 0.00 0.00 0.00 0.00 179.25 179.96 3hpq h ALA 38 N 1.26 0.79 -0.36 0.00 0.00 -0.73 -0.89 119.26 119.33 3hpq h ALA 38 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hpq h ALA 38 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hpq h ALA 38 CO -0.06 0.35 0.20 0.28 0.00 0.00 0.00 179.25 180.02 3hpq h VAL 39 N 0.84 1.14 -0.40 0.00 2.07 -0.89 0.20 116.25 119.22 3hpq h VAL 39 Ca 0.21 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3hpq h VAL 39 Cb 0.10 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hpq h VAL 39 CO -0.03 0.14 0.25 0.50 0.02 0.00 0.00 177.57 178.46 3hpq h LYS 40 N 0.45 0.53 0.00 1.57 3.64 -0.79 -3.08 116.57 118.89 3hpq h LYS 40 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hpq h LYS 40 Cb 0.06 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hpq h LYS 40 CO -0.02 0.37 -0.57 -1.13 -2.27 0.00 0.00 179.45 175.83 3hpq n SER 41 N -4.79 0.55 -1.20 4.20 3.41 -0.37 -4.96 113.62 110.46 3hpq n SER 41 Ca 0.00 -0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 3hpq n SER 41 Cb 0.04 0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.47 0.10 3.75 5.00 0.00 0.64 -4.99 105.19 111.16 3hpq n GLY 42 Ca 0.05 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.75 6.52 0.45 1.61 0.01 -0.78 -4.90 113.70 113.87 3hpq s SER 43 Ca 0.07 2.82 0.14 0.00 1.31 0.00 0.00 55.95 60.29 3hpq s SER 43 Cb -0.03 -2.64 1.06 0.00 0.21 0.00 0.00 66.02 64.63 3hpq s SER 43 CO 0.08 -0.78 2.01 -0.08 0.41 0.00 0.00 173.24 174.88 3hpq h GLU 44 N 4.48 0.34 -4.58 12.44 4.57 -1.94 -2.54 114.58 127.36 3hpq h GLU 44 Ca -0.47 -0.02 -0.72 0.00 -1.18 0.00 0.00 59.36 56.96 3hpq h GLU 44 Cb 1.22 -0.08 -0.21 0.00 -0.16 0.00 0.00 28.75 29.53 3hpq h GLU 44 CO 0.75 0.23 0.46 -1.17 -1.18 0.00 0.00 179.01 178.09 3hpq s LEU 45 N -9.28 5.67 0.00 1.64 2.96 -1.26 -4.36 118.68 114.06 3hpq s LEU 45 Ca -0.07 -2.13 0.00 0.00 -0.22 0.00 0.00 54.13 51.70 3hpq s LEU 45 Cb 0.19 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.56 3hpq s LEU 45 CO 0.74 -0.92 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3hpq n GLY 46 N 4.94 1.84 0.30 7.98 0.00 -1.24 -4.87 105.19 114.14 3hpq n GLY 46 Ca 0.14 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.36 3hpq n GLY 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hpq h LYS 47 N 0.00 0.00 0.00 1.61 2.10 -1.63 -1.88 116.57 116.77 3hpq h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hpq h LYS 47 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hpq h LYS 47 CO 0.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.49 3hpq n GLN 48 N -2.99 0.11 0.13 0.07 3.00 -1.26 -2.68 117.38 113.76 3hpq n GLN 48 Ca -0.01 0.49 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 3hpq n GLN 48 Cb 0.15 -1.79 0.41 0.00 0.00 0.00 0.00 30.24 29.02 3hpq n GLN 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hpq h ALA 49 N 2.16 1.00 -0.21 -1.58 0.00 -1.69 -3.39 119.26 115.54 3hpq h ALA 49 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hpq h ALA 49 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hpq h ALA 49 CO 0.00 0.00 -0.22 -0.22 0.00 0.00 0.00 179.25 178.81 3hpq h LYS 50 N 0.00 -0.12 -0.25 0.00 3.64 -1.74 -0.27 116.57 117.83 3hpq h LYS 50 Ca 0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3hpq h LYS 50 Cb 0.68 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3hpq h LYS 50 CO 0.00 -0.08 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.52 3hpq h ASP 51 N -0.12 0.42 0.06 4.20 3.32 -1.87 -2.37 116.42 120.06 3hpq h ASP 51 Ca 0.04 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hpq h ASP 51 Cb 0.22 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hpq h ASP 51 CO -0.27 0.60 -0.03 0.40 -1.72 0.00 0.00 179.24 178.22 3hpq h ILE 52 N 0.40 1.06 -0.70 0.35 2.04 -1.62 -1.62 117.51 117.43 3hpq h ILE 52 Ca 0.07 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3hpq h ILE 52 Cb 0.50 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3hpq h ILE 52 CO 0.03 0.11 0.37 0.24 0.00 0.00 0.00 178.15 178.90 3hpq h MET 53 N -0.28 0.97 -0.14 2.37 2.86 -0.98 -1.06 114.93 118.67 3hpq h MET 53 Ca -0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3hpq h MET 53 Cb 0.24 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3hpq h MET 53 CO 0.01 0.72 0.05 -0.44 1.06 0.00 0.00 176.91 178.32 3hpq h ASP 54 N 0.97 0.17 0.22 1.22 5.19 -1.21 -0.31 116.42 122.68 3hpq h ASP 54 Ca 0.25 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3hpq h ASP 54 Cb 0.05 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hpq h ASP 54 CO -0.04 0.16 -0.10 0.00 -3.12 0.00 0.00 179.24 176.15 3hpq n ALA 55 N -2.51 2.76 -1.20 3.45 0.00 -0.46 -4.90 120.51 117.65 3hpq n ALA 55 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 3hpq n ALA 55 Cb 0.11 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 1.23 0.92 3.93 0.00 0.00 -0.13 -4.86 105.19 106.29 3hpq n GLY 56 Ca 0.16 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.56 3.03 0.19 1.61 1.02 -0.87 -3.34 119.74 118.82 3hpq s LYS 57 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 3hpq s LYS 57 Cb 0.00 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 3hpq s LYS 57 CO 0.00 0.15 0.96 -0.51 -0.92 0.00 0.00 175.35 175.03 3hpq s LEU 58 N -4.07 4.58 0.74 3.17 1.43 -1.26 -4.26 118.68 119.01 3hpq s LEU 58 Ca 0.41 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.30 3hpq s LEU 58 Cb -0.08 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.57 3hpq s LEU 58 CO 0.29 0.04 1.09 -0.69 0.23 0.00 0.00 176.35 177.32 3hpq s VAL 59 N -0.66 3.38 0.38 -1.59 1.01 -1.26 -4.95 120.40 116.70 3hpq s VAL 59 Ca 0.44 0.49 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 3hpq s VAL 59 Cb -0.25 -3.01 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 3hpq s VAL 59 CO 0.31 -0.54 1.38 0.35 0.00 0.00 0.00 175.10 176.60 3hpq n THR 60 N -3.22 2.16 -0.20 3.92 -2.24 -1.26 -4.88 114.28 108.55 3hpq n THR 60 Ca 0.09 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 3hpq n THR 60 Cb 0.53 -1.75 0.10 0.00 -2.10 0.00 0.00 70.33 67.11 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 2.61 -0.28 -0.53 3.42 3.32 -2.00 -2.30 116.42 120.65 3hpq h ASP 61 Ca -0.49 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 3hpq h ASP 61 Cb 1.27 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 41.06 3hpq h ASP 61 CO 0.62 -0.12 0.29 -0.33 -1.72 0.00 0.00 179.24 177.99 3hpq h GLU 62 N 0.12 0.77 -0.14 3.56 3.07 -1.99 0.42 114.58 120.39 3hpq h GLU 62 Ca 0.32 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 3hpq h GLU 62 Cb 0.52 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3hpq h GLU 62 CO -0.53 0.58 -0.02 1.25 -1.40 0.00 0.00 179.01 178.89 3hpq h LEU 63 N 0.78 0.27 -0.59 1.33 5.85 -1.79 -2.50 115.31 118.65 3hpq h LEU 63 Ca 0.20 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.42 3hpq h LEU 63 Cb 0.04 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hpq h LEU 63 CO -0.03 0.55 -0.57 0.58 -0.34 0.00 0.00 178.44 178.63 3hpq h VAL 64 N -0.02 1.35 -0.44 1.05 2.07 -1.18 -2.34 116.25 116.74 3hpq h VAL 64 Ca 0.04 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3hpq h VAL 64 Cb 0.42 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3hpq h VAL 64 CO 0.01 0.57 0.23 0.40 0.02 0.00 0.00 177.57 178.79 3hpq h ILE 65 N 0.31 1.17 -0.90 4.57 2.04 -0.94 -1.26 117.51 122.50 3hpq h ILE 65 Ca 0.00 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3hpq h ILE 65 Cb 1.09 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3hpq h ILE 65 CO 0.10 0.19 0.54 0.00 0.00 0.00 0.00 178.15 178.97 3hpq h ALA 66 N 1.07 1.15 -0.17 1.87 0.00 -1.32 -0.42 119.26 121.45 3hpq h ALA 66 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hpq h ALA 66 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3hpq h ALA 66 CO -0.02 0.61 0.11 -0.07 0.00 0.00 0.00 179.25 179.88 3hpq h LEU 67 N 1.24 0.20 -0.37 0.00 3.38 -1.03 -1.65 115.31 117.08 3hpq h LEU 67 Ca 0.32 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hpq h LEU 67 Cb -0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hpq h LEU 67 CO -0.06 0.16 0.10 0.58 0.09 0.00 0.00 178.44 179.31 3hpq h VAL 68 N 0.21 1.22 -0.82 1.22 2.07 -0.97 -1.54 116.25 117.64 3hpq h VAL 68 Ca 0.06 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3hpq h VAL 68 Cb -0.00 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3hpq h VAL 68 CO -0.01 0.25 0.52 0.11 0.02 0.00 0.00 177.57 178.46 3hpq h LYS 69 N 0.45 0.95 -0.61 1.57 1.57 -1.01 0.28 116.57 119.77 3hpq h LYS 69 Ca 0.12 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hpq h LYS 69 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3hpq h LYS 69 CO -0.00 0.63 0.26 1.49 -0.57 0.00 0.00 179.45 181.26 3hpq h GLU 70 N 0.98 0.90 -0.30 3.15 4.81 -1.08 -2.87 114.58 120.18 3hpq h GLU 70 Ca 0.34 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 3hpq h GLU 70 Cb 0.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3hpq h GLU 70 CO -0.14 0.76 -0.54 -0.09 -0.73 0.00 0.00 179.01 178.27 3hpq h ARG 71 N 0.85 0.89 0.00 1.92 9.65 -0.59 -3.18 114.38 123.91 3hpq h ARG 71 Ca 0.21 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 3hpq h ARG 71 Cb 0.18 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3hpq h ARG 71 CO -0.02 1.19 0.00 1.51 2.80 0.00 0.00 179.97 185.45 3hpq n ILE 72 N -4.01 0.79 0.79 1.20 0.13 0.93 -2.07 119.36 117.12 3hpq n ILE 72 Ca -0.04 0.16 0.13 0.00 -1.10 0.00 0.00 62.75 61.90 3hpq n ILE 72 Cb 0.63 -1.10 0.45 0.00 -0.84 0.00 0.00 39.64 38.78 3hpq n ILE 72 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hpq n ALA 73 N -1.79 2.45 -1.72 1.51 0.00 -1.09 -4.72 120.51 115.15 3hpq n ALA 73 Ca 0.02 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 3hpq n ALA 73 Cb 0.26 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.36 3hpq n ALA 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hpq n GLN 74 N -1.90 1.15 0.12 0.00 3.00 -0.88 -4.89 117.38 113.98 3hpq n GLN 74 Ca 0.06 0.45 0.06 0.00 -0.01 0.00 0.00 57.00 57.55 3hpq n GLN 74 Cb 0.39 -2.51 0.52 0.00 0.00 0.00 0.00 30.24 28.64 3hpq n GLN 74 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3hpq h GLU 75 N 0.60 0.28 0.00 -1.09 4.22 -1.90 -2.12 114.58 114.57 3hpq h GLU 75 Ca -0.51 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.91 3hpq h GLU 75 Cb 1.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3hpq h GLU 75 CO 0.53 0.20 0.00 -0.40 -2.18 0.00 0.00 179.01 177.16 3hpq n ASP 76 N -4.49 0.00 -0.56 1.04 3.85 -1.26 -1.94 116.55 113.18 3hpq n ASP 76 Ca 0.00 0.11 0.10 0.00 -0.71 0.00 0.00 54.79 54.29 3hpq n ASP 76 Cb 0.08 -0.32 0.02 0.00 -1.35 0.00 0.00 41.12 39.56 3hpq n ASP 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hpq h ARG 78 N 2.76 0.74 -0.53 0.00 2.43 -1.48 -1.42 114.38 116.88 3hpq h ARG 78 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hpq h ARG 78 Cb 0.73 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3hpq h ARG 78 CO 0.00 0.49 0.00 0.09 -1.51 0.00 0.00 179.97 179.04 3hpq n ASN 79 N -4.77 4.61 0.00 -3.80 3.02 -1.26 -5.04 115.26 108.02 3hpq n ASN 79 Ca 0.21 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 3hpq n ASN 79 Cb 0.51 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.67 3.20 3.54 7.41 0.00 -0.53 -2.06 105.19 117.42 3hpq n GLY 80 Ca 0.24 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.04 -0.26 -0.25 1.61 -0.71 -0.76 -4.32 117.98 111.26 3hpq s PHE 81 Ca 0.00 0.16 -0.04 0.00 -1.04 0.00 0.00 56.93 56.02 3hpq s PHE 81 Cb 0.00 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.35 3hpq s PHE 81 CO 0.00 -0.40 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.28 3hpq s LEU 82 N -2.34 3.19 -0.38 -1.99 2.96 -0.04 -2.31 118.68 117.78 3hpq s LEU 82 Ca 0.07 -0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 53.11 3hpq s LEU 82 Cb -0.01 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3hpq s LEU 82 CO -0.07 -0.10 0.74 -0.76 -1.32 0.00 0.00 176.35 174.84 3hpq s LEU 83 N 1.42 4.19 -0.36 -0.68 1.43 0.50 0.48 118.68 125.67 3hpq s LEU 83 Ca 0.03 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 3hpq s LEU 83 Cb -0.16 -2.94 0.10 0.00 0.03 0.00 0.00 46.19 43.22 3hpq s LEU 83 CO -0.03 -0.72 0.08 -0.62 0.23 0.00 0.00 176.35 175.29 3hpq s ASP 84 N 1.87 4.65 0.00 2.29 2.15 -0.46 -1.71 116.67 125.45 3hpq s ASP 84 Ca 0.29 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 51.05 3hpq s ASP 84 Cb -0.13 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 3hpq s ASP 84 CO 0.17 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 3hpq n GLY 85 N 4.16 0.84 3.10 2.66 0.00 -1.26 -3.39 105.19 111.31 3hpq n GLY 85 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.05 -0.23 0.79 1.61 2.19 -1.26 -4.43 117.98 114.61 3hpq s PHE 86 Ca 0.00 0.56 -0.11 0.00 0.33 0.00 0.00 56.93 57.71 3hpq s PHE 86 Cb 0.00 0.08 0.07 0.00 -1.31 0.00 0.00 43.02 41.86 3hpq s PHE 86 CO 0.00 -0.12 1.09 -1.25 1.83 0.00 0.00 175.22 176.76 3hpq s PRO 87 N 0.06 2.12 0.00 10.12 0.04 -1.26 -4.70 135.00 141.37 3hpq s PRO 87 Ca -0.01 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3hpq s PRO 87 Cb -0.02 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3hpq s PRO 87 CO 0.00 -1.66 0.15 -2.13 0.04 0.00 0.00 177.00 173.41 3hpq n ARG 88 N -3.49 2.32 -3.97 4.56 3.00 -1.26 -4.97 116.66 112.85 3hpq n ARG 88 Ca 0.08 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.85 57.68 3hpq n ARG 88 Cb 0.55 -0.57 -0.07 0.00 0.00 0.00 0.00 32.46 32.37 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 -0.38 0.06 0.11 5.15 -4.23 -1.26 -3.73 115.64 111.37 3hpq s THR 89 Ca 0.00 -1.39 -0.25 0.00 -1.18 0.00 0.00 61.69 58.86 3hpq s THR 89 Cb 0.00 -1.88 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 3hpq s THR 89 CO 0.00 -0.27 1.67 0.40 -0.54 0.00 0.00 174.62 175.88 3hpq h ILE 90 N 2.52 0.60 -0.89 2.99 1.08 -1.94 -1.64 117.51 120.24 3hpq h ILE 90 Ca -0.31 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.30 3hpq h ILE 90 Cb 1.23 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 35.51 3hpq h ILE 90 CO 0.47 0.00 0.57 -0.65 -0.69 0.00 0.00 178.15 177.86 3hpq h PRO 91 N -0.32 0.67 -0.72 2.37 0.11 -1.97 0.37 132.00 132.51 3hpq h PRO 91 Ca 0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3hpq h PRO 91 Cb 0.36 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3hpq h PRO 91 CO -0.11 0.44 0.34 1.96 -0.21 0.00 0.00 178.00 180.42 3hpq h GLN 92 N 0.69 1.03 -0.30 1.05 4.20 -1.85 -0.87 115.11 119.07 3hpq h GLN 92 Ca 0.44 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3hpq h GLN 92 Cb 0.71 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3hpq h GLN 92 CO -0.20 0.81 0.13 0.00 -0.67 0.00 0.00 178.83 178.90 3hpq h ALA 93 N 1.17 0.39 -0.93 3.87 0.00 0.36 -2.93 119.26 121.19 3hpq h ALA 93 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hpq h ALA 93 Cb 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3hpq h ALA 93 CO -0.03 -0.03 0.62 -0.44 0.00 0.00 0.00 179.25 179.37 3hpq h ASP 94 N 0.34 1.04 -0.78 0.00 3.32 -0.22 -2.14 116.42 117.99 3hpq h ASP 94 Ca 0.10 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3hpq h ASP 94 Cb 0.15 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3hpq h ASP 94 CO -0.01 0.73 0.40 0.00 -1.72 0.00 0.00 179.24 178.64 3hpq h ALA 95 N 1.44 1.22 -0.19 3.45 0.00 -1.05 -0.13 119.26 124.00 3hpq h ALA 95 Ca 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hpq h ALA 95 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3hpq h ALA 95 CO -0.10 0.61 0.11 0.52 0.00 0.00 0.00 179.25 180.39 3hpq h MET 96 N 1.11 0.27 0.08 0.00 2.86 -1.22 -1.11 114.93 116.92 3hpq h MET 96 Ca 0.27 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 3hpq h MET 96 Cb 0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3hpq h MET 96 CO -0.04 0.25 -0.23 -0.22 1.06 0.00 0.00 176.91 177.73 3hpq h LYS 97 N 0.21 -0.39 -0.42 1.72 1.63 -0.93 0.32 116.57 118.71 3hpq h LYS 97 Ca 0.07 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 3hpq h LYS 97 Cb 0.06 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3hpq h LYS 97 CO -0.01 -0.26 0.29 0.93 -3.45 0.00 0.00 179.45 176.94 3hpq h GLU 98 N -0.41 0.34 -0.05 1.90 4.39 -0.94 -0.13 114.58 119.68 3hpq h GLU 98 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3hpq h GLU 98 Cb 0.45 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3hpq h GLU 98 CO -0.15 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 177.92 3hpq n ALA 99 N -2.52 2.59 -2.50 3.43 0.00 -0.43 -4.91 120.51 116.16 3hpq n ALA 99 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 3hpq n ALA 99 Cb 0.24 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 1.06 0.16 3.30 0.00 0.00 -0.06 -4.98 105.19 104.66 3hpq n GLY 100 Ca 0.18 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.73 5.64 0.57 -0.61 -1.09 0.10 -5.01 121.20 118.07 3hpq s ILE 101 Ca 0.10 -3.34 -0.09 0.00 -2.23 0.00 0.00 60.65 55.09 3hpq s ILE 101 Cb -0.05 -4.42 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 3hpq s ILE 101 CO 0.13 -1.14 0.95 0.54 -1.23 0.00 0.00 174.94 174.19 3hpq s ASN 102 N 1.20 6.25 0.22 3.58 4.22 -1.26 -4.44 114.94 124.71 3hpq s ASN 102 Ca 0.28 1.28 0.07 0.00 -2.14 0.00 0.00 52.86 52.35 3hpq s ASN 102 Cb -0.10 -2.40 -0.05 0.00 1.28 0.00 0.00 41.25 39.98 3hpq s ASN 102 CO -0.09 -0.77 -0.12 0.68 -2.04 0.00 0.00 177.10 174.76 3hpq s VAL 103 N -3.03 1.65 -0.10 3.54 -7.23 -1.26 -4.90 120.40 109.06 3hpq s VAL 103 Ca 0.53 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3hpq s VAL 103 Cb -0.11 -2.12 -0.25 0.00 0.56 0.00 0.00 36.38 34.47 3hpq s VAL 103 CO 0.51 -0.54 0.42 0.47 -0.31 0.00 0.00 175.10 175.65 3hpq n ASP 104 N -0.41 1.60 -3.92 4.85 8.00 0.43 -4.41 116.55 122.69 3hpq n ASP 104 Ca -0.07 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 3hpq n ASP 104 Cb 0.61 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.57 0.45 -0.18 1.24 2.02 -1.03 -0.82 117.35 116.46 3hpq s TYR 105 Ca -0.16 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3hpq s TYR 105 Cb 0.07 -0.36 -0.00 0.00 -0.40 0.00 0.00 41.96 41.27 3hpq s TYR 105 CO 0.78 -0.06 -0.12 0.08 -1.57 0.00 0.00 175.55 174.67 3hpq s VAL 106 N 0.25 2.86 -0.22 0.71 1.01 0.12 -1.12 120.40 124.01 3hpq s VAL 106 Ca -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3hpq s VAL 106 Cb -0.06 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3hpq s VAL 106 CO -0.00 0.49 -0.10 -0.76 0.00 0.00 0.00 175.10 174.73 3hpq s LEU 107 N 1.10 2.76 -0.27 3.92 1.43 0.21 -1.21 118.68 126.61 3hpq s LEU 107 Ca 0.00 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3hpq s LEU 107 Cb -0.14 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3hpq s LEU 107 CO -0.03 -0.05 0.20 -0.70 0.23 0.00 0.00 176.35 176.00 3hpq s GLU 108 N 1.37 3.98 -0.51 1.70 2.12 0.70 0.12 118.70 128.17 3hpq s GLU 108 Ca 0.04 -0.27 -0.18 0.00 0.36 0.00 0.00 54.97 54.91 3hpq s GLU 108 Cb -0.15 -3.64 0.07 0.00 0.26 0.00 0.00 34.13 30.67 3hpq s GLU 108 CO -0.07 -0.15 0.57 -0.06 -0.54 0.00 0.00 175.26 175.01 3hpq s PHE 109 N 1.69 3.10 -0.16 5.30 0.40 0.16 -0.16 117.98 128.31 3hpq s PHE 109 Ca 0.08 -0.71 -0.20 0.00 -0.60 0.00 0.00 56.93 55.50 3hpq s PHE 109 Cb -0.16 -3.51 -0.03 0.00 0.51 0.00 0.00 43.02 39.83 3hpq s PHE 109 CO 0.10 -1.01 0.59 0.34 0.70 0.00 0.00 175.22 175.94 3hpq s ASP 110 N 2.81 6.72 -0.06 1.36 2.15 -0.47 -4.22 116.67 124.95 3hpq s ASP 110 Ca 0.12 0.86 -0.04 0.00 0.43 0.00 0.00 52.55 53.92 3hpq s ASP 110 Cb -0.21 -2.34 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 3hpq s ASP 110 CO 0.10 -0.17 0.16 -0.69 -0.17 0.00 0.00 175.17 174.39 3hpq s VAL 111 N 1.40 -0.02 0.52 1.11 1.01 -1.26 -0.87 120.40 122.29 3hpq s VAL 111 Ca 0.29 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 3hpq s VAL 111 Cb -0.16 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 3hpq s VAL 111 CO 0.11 0.04 1.38 -2.84 0.00 0.00 0.00 175.10 173.79 3hpq s PRO 112 N 0.64 3.28 0.29 2.72 0.02 -1.26 -4.88 135.00 135.81 3hpq s PRO 112 Ca -0.05 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3hpq s PRO 112 Cb -0.06 -2.36 0.69 0.00 0.02 0.00 0.00 34.50 32.78 3hpq s PRO 112 CO -0.03 -1.09 1.72 -0.44 -0.33 0.00 0.00 177.00 176.83 3hpq h ASP 113 N 1.69 0.44 0.49 2.53 3.32 -2.01 -2.30 116.42 120.58 3hpq h ASP 113 Ca -0.51 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3hpq h ASP 113 Cb 1.29 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3hpq h ASP 113 CO 0.58 0.09 0.00 -0.33 -1.72 0.00 0.00 179.24 177.86 3hpq h GLU 114 N 0.50 0.00 0.00 3.56 3.07 -2.03 -1.85 114.58 117.83 3hpq h GLU 114 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3hpq h GLU 114 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 3hpq h GLU 114 CO -0.47 0.00 -0.89 1.28 -1.40 0.00 0.00 179.01 177.53 3hpq n LEU 115 N -2.58 0.63 0.33 1.33 4.32 -0.87 -4.61 117.00 115.55 3hpq n LEU 115 Ca -0.00 -0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.82 3hpq n LEU 115 Cb 0.17 -0.12 -0.07 0.00 -1.62 0.00 0.00 43.42 41.78 3hpq n LEU 115 CO 0.19 0.07 0.36 0.40 -1.22 0.00 0.00 177.39 177.19 3hpq h ILE 116 N 0.00 0.04 -0.40 -0.08 2.04 -1.40 -1.64 117.51 116.07 3hpq h ILE 116 Ca 0.00 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.54 3hpq h ILE 116 Cb 0.67 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3hpq h ILE 116 CO 0.00 0.01 0.16 0.58 0.00 0.00 0.00 178.15 178.89 3hpq h VAL 117 N -1.21 0.91 -0.73 1.67 2.07 -1.82 -0.55 116.25 116.59 3hpq h VAL 117 Ca -0.09 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3hpq h VAL 117 Cb 0.68 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3hpq h VAL 117 CO 0.15 0.06 0.40 -0.78 0.02 0.00 0.00 177.57 177.41 3hpq h ASP 118 N 0.33 0.92 -0.52 0.57 3.58 -1.82 -2.66 116.42 116.82 3hpq h ASP 118 Ca 0.18 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 3hpq h ASP 118 Cb 0.14 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3hpq h ASP 118 CO -0.17 0.75 0.15 -0.09 -2.88 0.00 0.00 179.24 177.00 3hpq h ARG 119 N 1.01 0.82 0.00 0.28 2.43 -0.54 -3.19 114.38 115.19 3hpq h ARG 119 Ca 0.26 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3hpq h ARG 119 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3hpq h ARG 119 CO -0.04 0.77 -0.26 0.82 -1.51 0.00 0.00 179.97 179.75 3hpq h ILE 120 N 0.72 0.79 -0.36 1.20 1.08 -0.80 -2.67 117.51 117.46 3hpq h ILE 120 Ca 0.17 -1.08 0.09 0.00 -0.39 0.00 0.00 64.86 63.65 3hpq h ILE 120 Cb 0.30 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 3hpq h ILE 120 CO -0.00 0.26 0.26 -0.37 -0.69 0.00 0.00 178.15 177.60 3hpq h VAL 121 N 0.00 0.85 -0.01 1.67 -1.51 -1.47 -0.94 116.25 114.83 3hpq h VAL 121 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3hpq h VAL 121 Cb 0.64 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 3hpq h VAL 121 CO 0.03 0.01 -0.09 0.61 -1.23 0.00 0.00 177.57 176.91 3hpq n GLY 122 N -1.59 -0.58 3.72 5.19 0.00 -1.01 -4.91 105.19 106.01 3hpq n GLY 122 Ca 0.05 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.26 4.40 0.05 1.61 3.52 -0.36 -1.90 118.95 124.01 3hpq s ARG 123 Ca 0.34 1.92 0.05 0.00 -0.13 0.00 0.00 55.73 57.90 3hpq s ARG 123 Cb 0.20 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3hpq s ARG 123 CO 0.42 -0.28 -0.14 1.03 -0.81 0.00 0.00 175.30 175.52 3hpq s ARG 124 N 0.70 0.87 0.12 5.12 1.81 -0.68 -4.67 118.95 122.23 3hpq s ARG 124 Ca 0.59 -0.82 0.03 0.00 -1.72 0.00 0.00 55.73 53.80 3hpq s ARG 124 Cb -0.33 -0.88 -0.04 0.00 -0.45 0.00 0.00 34.95 33.25 3hpq s ARG 124 CO 0.32 0.21 -0.07 0.14 -0.68 0.00 0.00 175.30 175.22 3hpq s VAL 125 N -1.01 0.85 -0.58 3.52 -7.23 0.46 -0.08 120.40 116.34 3hpq s VAL 125 Ca -0.00 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 3hpq s VAL 125 Cb -0.09 -1.79 0.15 0.00 0.56 0.00 0.00 36.38 35.21 3hpq s VAL 125 CO 0.02 -0.79 0.38 -2.28 -0.31 0.00 0.00 175.10 172.12 3hpq s HIS 126 N -3.53 3.43 0.25 2.82 2.46 0.13 -1.27 115.29 119.58 3hpq s HIS 126 Ca 0.15 -2.70 -0.03 0.00 0.47 0.00 0.00 55.06 52.95 3hpq s HIS 126 Cb 0.04 -3.18 0.45 0.00 -0.13 0.00 0.00 32.58 29.77 3hpq s HIS 126 CO -0.02 -0.86 1.79 0.00 -2.47 0.00 0.00 174.74 173.19 3hpq h ALA 127 N 7.17 1.22 -0.90 1.58 0.00 -1.93 0.34 119.26 126.74 3hpq h ALA 127 Ca -0.04 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3hpq h ALA 127 Cb 0.96 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3hpq h ALA 127 CO 0.71 0.03 0.58 -1.35 0.00 0.00 0.00 179.25 179.22 3hpq h PRO 128 N 0.73 0.74 0.00 0.00 0.11 -1.97 -3.01 132.00 128.60 3hpq h PRO 128 Ca 0.42 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.36 3hpq h PRO 128 Cb 0.47 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3hpq h PRO 128 CO -0.29 0.49 -1.95 -1.13 -0.21 0.00 0.00 178.00 174.91 3hpq n SER 129 N -4.56 0.93 0.00 -2.05 3.41 -0.82 -4.99 113.62 105.54 3hpq n SER 129 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3hpq n SER 129 Cb 0.42 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 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 1.70 0.74 3.77 5.00 0.00 0.11 -5.04 105.19 111.47 3hpq n GLY 130 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3hpq n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpq s ARG 131 N -0.54 3.99 0.04 1.61 0.52 -1.17 -4.81 118.95 118.60 3hpq s ARG 131 Ca 0.00 2.38 0.08 0.00 -0.52 0.00 0.00 55.73 57.67 3hpq s ARG 131 Cb 0.00 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 3hpq s ARG 131 CO 0.00 -0.56 -0.22 0.54 0.02 0.00 0.00 175.30 175.09 3hpq s VAL 132 N -1.18 1.76 0.25 3.52 0.11 -1.26 -0.69 120.40 122.91 3hpq s VAL 132 Ca 0.55 -1.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 3hpq s VAL 132 Cb -0.43 -1.52 -0.05 0.00 -1.53 0.00 0.00 36.38 32.85 3hpq s VAL 132 CO 0.57 0.25 0.06 -0.31 -3.33 0.00 0.00 175.10 172.33 3hpq s TYR 133 N -0.79 1.58 -0.04 1.54 1.51 0.88 -4.97 117.35 117.07 3hpq s TYR 133 Ca 0.08 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.07 3hpq s TYR 133 Cb -0.09 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 3hpq s TYR 133 CO 0.02 -0.21 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.65 3hpq s HIS 134 N -3.60 0.57 0.65 2.71 2.46 -0.42 -1.69 115.29 115.96 3hpq s HIS 134 Ca 0.34 -0.12 0.36 0.00 0.47 0.00 0.00 55.06 56.11 3hpq s HIS 134 Cb 0.07 -0.58 1.97 0.00 -0.13 0.00 0.00 32.58 33.91 3hpq s HIS 134 CO 0.12 -0.18 2.16 -0.39 -2.47 0.00 0.00 174.74 173.98 3hpq h VAL 135 N 6.20 0.14 0.00 0.89 -1.51 -1.66 -0.88 116.25 119.42 3hpq h VAL 135 Ca -0.38 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 64.98 3hpq h VAL 135 Cb 1.14 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 3hpq h VAL 135 CO 0.45 0.00 -1.39 0.29 -1.23 0.00 0.00 177.57 175.69 3hpq n LYS 136 N -3.23 0.16 0.04 5.19 5.02 -1.26 -4.67 118.16 119.41 3hpq n LYS 136 Ca -0.01 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.45 3hpq n LYS 136 Cb 0.24 -0.88 0.08 0.00 -0.02 0.00 0.00 35.03 34.44 3hpq n LYS 136 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hpq n PHE 137 N -3.11 0.38 -2.72 2.13 3.72 -1.21 -4.56 117.46 112.10 3hpq n PHE 137 Ca -0.13 0.11 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 3hpq n PHE 137 Cb 0.61 -0.53 0.08 0.00 -0.94 0.00 0.00 39.48 38.70 3hpq n PHE 137 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3hpq n ASN 138 N -2.03 -2.29 -4.78 4.37 4.05 -0.85 -4.74 115.26 109.00 3hpq n ASN 138 Ca 0.02 -3.26 -0.34 0.00 0.45 0.00 0.00 54.58 51.46 3hpq n ASN 138 Cb 0.44 1.74 0.03 0.00 1.23 0.00 0.00 39.78 43.22 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 0.34 3.06 0.73 1.20 0.02 -0.39 -1.30 135.00 138.67 3hpq s PRO 139 Ca 0.25 1.44 -0.15 0.00 0.02 0.00 0.00 61.00 62.56 3hpq s PRO 139 Cb 0.27 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.85 3hpq s PRO 139 CO -0.12 -1.05 1.19 -1.25 -0.33 0.00 0.00 177.00 175.44 3hpq s PRO 140 N -3.81 2.15 0.44 5.54 0.04 -1.26 -4.89 135.00 133.21 3hpq s PRO 140 Ca 0.68 1.71 0.18 0.00 0.04 0.00 0.00 61.00 63.62 3hpq s PRO 140 Cb -0.21 -1.84 1.04 0.00 0.04 0.00 0.00 34.50 33.53 3hpq s PRO 140 CO 0.36 -1.81 1.95 0.87 0.04 0.00 0.00 177.00 178.40 3hpq h LYS 141 N -0.34 0.00 -5.04 4.56 1.57 -1.95 -3.39 116.57 111.98 3hpq h LYS 141 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 3hpq h LYS 141 Cb 1.29 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.26 3hpq h LYS 141 CO 0.50 0.23 -0.86 0.08 -0.57 0.00 0.00 179.45 178.83 3hpq s VAL 142 N -4.30 1.87 -0.13 0.50 1.01 -1.26 -5.08 120.40 113.01 3hpq s VAL 142 Ca -0.03 -0.87 -0.38 0.00 0.00 0.00 0.00 61.98 60.70 3hpq s VAL 142 Cb 0.14 -1.67 -0.16 0.00 0.00 0.00 0.00 36.38 34.69 3hpq s VAL 142 CO 0.67 0.51 1.60 1.21 0.00 0.00 0.00 175.10 179.10 3hpq n GLU 143 N 4.13 1.23 -0.93 2.72 2.13 -1.26 -1.13 120.64 127.53 3hpq n GLU 143 Ca -0.20 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3hpq n GLU 143 Cb 0.51 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.10 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 3.59 0.69 3.36 8.31 0.00 -1.26 -5.01 105.19 114.87 3hpq n GLY 144 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 2.03 0.33 1.61 -0.14 -0.28 -0.41 119.74 122.64 3hpq s LYS 145 Ca 0.00 -0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 53.34 3hpq s LYS 145 Cb 0.00 -2.07 -0.10 0.00 -1.68 0.00 0.00 37.83 33.98 3hpq s LYS 145 CO 0.00 0.55 1.36 0.34 -0.76 0.00 0.00 175.35 176.84 3hpq s ASP 146 N -0.94 6.67 0.38 2.83 2.15 0.09 -4.51 116.67 123.34 3hpq s ASP 146 Ca 0.11 2.76 0.07 0.00 0.43 0.00 0.00 52.55 55.92 3hpq s ASP 146 Cb -0.10 -2.65 0.76 0.00 -0.30 0.00 0.00 42.92 40.63 3hpq s ASP 146 CO 0.01 -0.62 1.95 0.44 -0.17 0.00 0.00 175.17 176.77 3hpq h ASP 147 N 3.52 0.37 0.00 -0.34 3.32 -1.93 -1.46 116.42 119.90 3hpq h ASP 147 Ca -0.49 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 3hpq h ASP 147 Cb 1.23 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3hpq h ASP 147 CO 0.67 0.42 -0.48 0.58 -1.72 0.00 0.00 179.24 178.70 3hpq h VAL 148 N 0.39 0.12 0.00 -1.35 2.07 -1.98 -3.41 116.25 112.09 3hpq h VAL 148 Ca 0.09 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3hpq h VAL 148 Cb 0.24 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3hpq h VAL 148 CO 0.00 0.04 -0.76 0.35 0.02 0.00 0.00 177.57 177.22 3hpq n THR 149 N -4.63 0.18 -1.00 2.57 -2.24 -1.25 -4.95 114.28 102.96 3hpq n THR 149 Ca -0.08 -0.18 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3hpq n THR 149 Cb 0.26 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.40 0.27 3.79 3.38 0.00 -0.55 -4.97 105.19 108.51 3hpq n GLY 150 Ca 0.03 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.98 3.74 0.15 1.61 2.02 -1.26 -4.51 118.70 119.48 3hpq s GLU 151 Ca 0.00 1.45 -0.31 0.00 0.02 0.00 0.00 54.97 56.12 3hpq s GLU 151 Cb 0.00 -2.13 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 3hpq s GLU 151 CO 0.00 -0.50 1.68 -2.00 0.02 0.00 0.00 175.26 174.46 3hpq s GLU 152 N -3.15 4.17 0.58 1.61 2.56 -1.26 -0.73 118.70 122.48 3hpq s GLU 152 Ca 0.67 2.48 -0.16 0.00 0.00 0.00 0.00 54.97 57.96 3hpq s GLU 152 Cb -0.19 -3.29 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 3hpq s GLU 152 CO 0.23 -0.72 1.06 -0.51 -0.56 0.00 0.00 175.26 174.75 3hpq s LEU 153 N 1.71 3.54 0.40 2.70 1.43 0.45 -4.87 118.68 124.05 3hpq s LEU 153 Ca 0.74 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.74 3hpq s LEU 153 Cb -0.45 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.15 3hpq s LEU 153 CO 0.33 -1.11 -0.00 0.42 0.23 0.00 0.00 176.35 176.21 3hpq s THR 154 N -2.39 1.99 -0.15 5.49 -4.23 -0.40 -4.89 115.64 111.05 3hpq s THR 154 Ca 0.64 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 3hpq s THR 154 Cb -0.16 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 3hpq s THR 154 CO 0.35 -0.03 0.08 0.42 -0.54 0.00 0.00 174.62 174.89 3hpq s THR 155 N -2.73 4.93 0.42 3.99 -4.23 -1.26 -0.40 115.64 116.36 3hpq s THR 155 Ca 0.35 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.60 3hpq s THR 155 Cb 0.09 -3.19 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 3hpq s THR 155 CO 0.18 0.52 1.47 -0.13 -0.54 0.00 0.00 174.62 176.11 3hpq s ARG 156 N -0.14 3.88 0.59 3.99 0.52 -1.26 -4.87 118.95 121.65 3hpq s ARG 156 Ca 0.08 2.53 0.32 0.00 -0.52 0.00 0.00 55.73 58.14 3hpq s ARG 156 Cb -0.12 -2.81 1.84 0.00 0.52 0.00 0.00 34.95 34.38 3hpq s ARG 156 CO 0.01 -0.70 2.23 0.87 0.02 0.00 0.00 175.30 177.72 3hpq h LYS 157 N 2.64 0.00 -0.50 3.54 6.56 -2.00 -2.21 116.57 124.60 3hpq h LYS 157 Ca -0.51 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 3hpq h LYS 157 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 3hpq h LYS 157 CO 0.63 0.03 0.00 -0.40 -2.06 0.00 0.00 179.45 177.65 3hpq n ASP 158 N -3.62 4.54 -1.04 0.86 5.75 -1.26 -4.55 116.55 117.22 3hpq n ASP 158 Ca -0.03 -2.64 0.08 0.00 -0.01 0.00 0.00 54.79 52.19 3hpq n ASP 158 Cb 0.13 -0.55 0.24 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.53 3.02 -4.81 -1.12 8.00 -0.83 -4.22 116.55 117.11 3hpq n ASP 159 Ca 0.23 -2.10 -0.33 0.00 0.71 0.00 0.00 54.79 53.30 3hpq n ASP 159 Cb 0.90 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 3hpq n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hpq s GLN 160 N -1.44 3.99 0.15 -1.24 0.00 -1.26 -4.65 119.66 115.20 3hpq s GLN 160 Ca 0.35 1.20 -0.29 0.00 -0.00 0.00 0.00 55.36 56.62 3hpq s GLN 160 Cb 0.20 -2.13 -0.07 0.00 0.00 0.00 0.00 33.01 31.01 3hpq s GLN 160 CO 0.22 -0.25 1.51 1.49 0.00 0.00 0.00 175.29 178.25 3hpq h GLU 161 N 1.60 -0.01 -0.68 9.60 4.81 -1.94 -0.10 114.58 127.86 3hpq h GLU 161 Ca -0.49 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.87 3hpq h GLU 161 Cb 1.20 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 3hpq h GLU 161 CO 0.60 -0.01 0.20 1.49 -0.73 0.00 0.00 179.01 180.57 3hpq h GLU 162 N -0.01 0.33 -0.18 1.92 4.81 -1.97 -1.01 114.58 118.47 3hpq h GLU 162 Ca 0.15 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 3hpq h GLU 162 Cb 0.39 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3hpq h GLU 162 CO -0.87 0.22 -0.54 1.15 -0.73 0.00 0.00 179.01 178.23 3hpq h THR 163 N 0.34 1.32 -0.61 0.32 2.02 -1.51 -2.62 112.91 112.16 3hpq h THR 163 Ca 0.37 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.73 3hpq h THR 163 Cb 0.56 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3hpq h THR 163 CO -0.41 0.56 0.30 0.58 0.37 0.00 0.00 175.52 176.91 3hpq h VAL 164 N 0.42 1.21 -0.85 3.16 2.07 -0.35 -1.17 116.25 120.74 3hpq h VAL 164 Ca 0.01 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3hpq h VAL 164 Cb 1.08 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3hpq h VAL 164 CO 0.10 0.24 0.44 0.03 0.02 0.00 0.00 177.57 178.40 3hpq h ARG 165 N 0.84 1.20 -0.42 1.57 3.08 -1.07 -0.97 114.38 118.61 3hpq h ARG 165 Ca 0.21 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3hpq h ARG 165 Cb 0.11 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3hpq h ARG 165 CO -0.03 0.90 0.16 0.87 -1.07 0.00 0.00 179.97 180.80 3hpq h LYS 166 N 1.19 0.62 -0.94 0.04 1.57 -1.24 -2.00 116.57 115.82 3hpq h LYS 166 Ca 0.30 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 3hpq h LYS 166 Cb 0.07 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 3hpq h LYS 166 CO -0.04 0.59 0.59 0.00 -0.57 0.00 0.00 179.45 180.01 3hpq h ARG 167 N 0.53 1.01 -0.72 3.15 3.08 -0.83 -0.73 114.38 119.86 3hpq h ARG 167 Ca 0.14 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3hpq h ARG 167 Cb 0.20 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3hpq h ARG 167 CO -0.01 0.67 0.27 1.25 -1.07 0.00 0.00 179.97 181.08 3hpq h LEU 168 N 1.04 1.01 -0.06 3.04 6.46 -0.81 0.82 115.31 126.82 3hpq h LEU 168 Ca 0.42 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3hpq h LEU 168 Cb 0.25 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 3hpq h LEU 168 CO -0.20 0.92 0.03 0.58 -0.62 0.00 0.00 178.44 179.15 3hpq h VAL 169 N 1.05 1.11 -0.86 1.05 2.07 -0.64 -2.37 116.25 117.65 3hpq h VAL 169 Ca 0.24 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3hpq h VAL 169 Cb 0.24 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3hpq h VAL 169 CO -0.02 0.09 0.56 -0.33 0.02 0.00 0.00 177.57 177.90 3hpq h GLU 170 N -0.03 0.98 0.03 1.57 4.39 -0.83 -0.98 114.58 119.71 3hpq h GLU 170 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hpq h GLU 170 Cb 0.12 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3hpq h GLU 170 CO -0.00 0.65 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.56 3hpq h TYR 171 N 1.01 -0.03 -0.21 4.33 3.20 -0.64 0.90 116.97 125.53 3hpq h TYR 171 Ca 0.36 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.13 3hpq h TYR 171 Cb 0.13 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3hpq h TYR 171 CO -0.00 -0.02 -0.30 0.45 -1.64 0.00 0.00 178.16 176.65 3hpq h HIS 172 N -0.04 0.46 -0.26 -3.82 3.86 -1.05 0.27 115.15 114.57 3hpq h HIS 172 Ca -0.00 -0.11 -0.16 0.00 -1.16 0.00 0.00 60.37 58.94 3hpq h HIS 172 Cb 0.03 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3hpq h HIS 172 CO -0.08 0.67 -0.45 1.96 0.86 0.00 0.00 177.93 180.90 3hpq h GLN 173 N 0.36 0.77 0.00 2.45 4.20 -0.98 -3.40 115.11 118.51 3hpq h GLN 173 Ca 0.05 -0.47 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 3hpq h GLN 173 Cb 0.71 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3hpq h GLN 173 CO 0.05 1.10 -1.27 -1.33 -0.67 0.00 0.00 178.83 176.71 3hpq n MET 174 N -4.13 2.79 -0.09 1.46 2.81 0.29 -4.88 117.12 115.36 3hpq n MET 174 Ca -0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.72 3hpq n MET 174 Cb 0.57 -1.10 -0.08 0.00 -0.71 0.00 0.00 33.22 31.90 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 -2.23 1.02 -0.33 2.03 -1.04 0.61 -4.32 114.28 110.03 3hpq n THR 175 Ca -0.07 -0.38 0.21 0.00 -2.04 0.00 0.00 64.05 61.77 3hpq n THR 175 Cb 0.62 -1.18 0.48 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.05 2.13 0.00 2.41 0.00 -0.85 0.68 119.26 123.57 3hpq h ALA 176 Ca -0.40 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hpq h ALA 176 Cb 1.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3hpq h ALA 176 CO -0.08 -0.54 0.06 -1.35 0.00 0.00 0.00 179.25 177.34 3hpq h PRO 177 N 0.45 0.00 0.00 0.00 0.11 -1.83 -1.38 132.00 129.35 3hpq h PRO 177 Ca 0.60 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.68 3hpq h PRO 177 Cb 1.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.52 3hpq h PRO 177 CO -0.33 0.00 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.28 3hpq h LEU 178 N 0.00 0.00 0.03 2.35 3.38 -1.14 -1.67 115.31 118.25 3hpq h LEU 178 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hpq h LEU 178 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hpq h LEU 178 CO 0.00 0.12 -0.02 0.40 0.09 0.00 0.00 178.44 179.03 3hpq h ILE 179 N 0.00 0.96 -0.53 1.22 2.04 -1.43 0.09 117.51 119.86 3hpq h ILE 179 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3hpq h ILE 179 Cb 0.32 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3hpq h ILE 179 CO 0.02 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.31 3hpq h GLY 180 N -0.04 1.07 0.55 5.37 0.00 -1.65 -0.46 103.07 107.91 3hpq h GLY 180 Ca -0.00 -0.86 0.03 0.00 0.00 0.00 0.00 47.33 46.50 3hpq h GLY 180 CO -0.00 0.79 -0.17 -1.82 0.00 0.00 0.00 176.54 175.34 3hpq h TYR 181 N 0.86 -0.44 0.00 5.60 5.03 -1.13 -0.99 116.97 125.90 3hpq h TYR 181 Ca 0.14 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 3hpq h TYR 181 Cb 0.65 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.11 3hpq h TYR 181 CO 0.05 -0.24 -0.45 1.88 -1.32 0.00 0.00 178.16 178.08 3hpq h TYR 182 N -0.26 0.00 -0.73 -3.82 0.05 -0.95 -2.24 116.97 109.01 3hpq h TYR 182 Ca 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 3hpq h TYR 182 Cb 0.35 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 3hpq h TYR 182 CO -0.23 0.45 0.26 0.77 -1.05 0.00 0.00 178.16 178.35 3hpq h SER 183 N 0.00 1.04 -0.56 3.88 0.02 -0.89 -0.40 113.55 116.63 3hpq h SER 183 Ca -0.00 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 3hpq h SER 183 Cb 1.25 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3hpq h SER 183 CO 0.06 0.95 0.11 0.50 -1.14 0.00 0.00 176.83 177.31 3hpq h LYS 184 N 1.08 0.92 -0.65 3.45 3.64 -0.95 -1.05 116.57 123.02 3hpq h LYS 184 Ca 0.24 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3hpq h LYS 184 Cb 0.26 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 3hpq h LYS 184 CO -0.01 0.87 0.38 0.93 -2.27 0.00 0.00 179.45 179.34 3hpq h GLU 185 N 0.82 0.70 -0.74 1.90 4.39 -1.05 -1.42 114.58 119.17 3hpq h GLU 185 Ca 0.17 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3hpq h GLU 185 Cb 0.38 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3hpq h GLU 185 CO 0.01 0.46 0.36 0.00 -1.16 0.00 0.00 179.01 178.68 3hpq h ALA 186 N 1.31 0.95 0.00 3.43 0.00 -0.80 -0.84 119.26 123.32 3hpq h ALA 186 Ca 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hpq h ALA 186 Cb 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hpq h ALA 186 CO -0.14 0.51 -0.02 0.93 0.00 0.00 0.00 179.25 180.53 3hpq h GLU 187 N 1.03 0.00 -0.02 0.00 5.08 -0.40 -0.44 114.58 119.83 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 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hpq h GLU 187 CO -0.03 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 3hpq n ALA 188 N -2.11 2.52 -1.37 3.43 0.00 -0.61 -4.95 120.51 117.41 3hpq n ALA 188 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 3hpq n ALA 188 Cb 0.19 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 1.26 0.57 0.13 0.00 0.00 -0.17 -4.93 105.19 102.04 3hpq n GLY 189 Ca 0.16 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.47 3hpq n GLY 189 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hpq h ASN 190 N 0.00 0.00 -5.21 1.61 -0.26 -1.37 -3.48 115.58 106.86 3hpq h ASN 190 Ca -0.09 -0.05 0.13 0.00 -0.56 0.00 0.00 56.30 55.74 3hpq h ASN 190 Cb 0.48 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.68 3hpq h ASN 190 CO 0.12 0.02 0.40 0.28 -1.06 0.00 0.00 177.43 177.19 3hpq s THR 191 N -3.28 0.00 -0.10 2.81 -1.32 -1.25 -4.60 115.64 107.90 3hpq s THR 191 Ca 0.03 -0.79 -0.09 0.00 -1.21 0.00 0.00 61.69 59.63 3hpq s THR 191 Cb 0.09 -2.10 -0.04 0.00 -1.51 0.00 0.00 72.50 68.95 3hpq s THR 191 CO 0.74 0.00 0.20 -0.54 -2.21 0.00 0.00 174.62 172.81 3hpq s LYS 192 N -3.38 3.58 -0.05 7.08 1.02 -0.00 -4.28 119.74 123.71 3hpq s LYS 192 Ca 0.13 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.16 3hpq s LYS 192 Cb -0.03 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3hpq s LYS 192 CO 0.04 0.74 -0.24 -0.47 -0.92 0.00 0.00 175.35 174.50 3hpq s TYR 193 N -0.97 2.45 -0.10 3.18 6.14 -1.26 0.14 117.35 126.93 3hpq s TYR 193 Ca 0.17 -0.62 -0.08 0.00 0.64 0.00 0.00 57.07 57.18 3hpq s TYR 193 Cb -0.13 -1.59 0.03 0.00 0.42 0.00 0.00 41.96 40.69 3hpq s TYR 193 CO 0.06 -0.15 0.26 0.00 0.64 0.00 0.00 175.55 176.36 3hpq s ALA 194 N -0.28 -0.63 -0.15 3.97 0.00 -0.35 -4.96 121.76 119.36 3hpq s ALA 194 Ca 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 3hpq s ALA 194 Cb -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3hpq s ALA 194 CO 0.03 -0.15 -0.08 0.21 0.00 0.00 0.00 175.76 175.77 3hpq s LYS 195 N 0.51 3.54 0.16 0.00 2.20 -1.26 -0.22 119.74 124.67 3hpq s LYS 195 Ca -0.03 -0.59 0.10 0.00 -0.36 0.00 0.00 55.97 55.08 3hpq s LYS 195 Cb -0.04 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 3hpq s LYS 195 CO -0.03 0.22 -0.17 0.14 -0.36 0.00 0.00 175.35 175.15 3hpq s VAL 196 N 0.38 2.78 -0.71 4.02 -7.23 0.78 -4.94 120.40 115.49 3hpq s VAL 196 Ca -0.07 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.11 3hpq s VAL 196 Cb -0.15 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.51 3hpq s VAL 196 CO 0.04 -0.04 1.14 -0.62 -0.31 0.00 0.00 175.10 175.31 3hpq s ASP 197 N -2.55 6.18 0.00 4.85 2.15 -1.26 -1.36 116.67 124.67 3hpq s ASP 197 Ca 0.21 -0.74 0.10 0.00 0.43 0.00 0.00 52.55 52.56 3hpq s ASP 197 Cb -0.09 -2.49 0.62 0.00 -0.30 0.00 0.00 42.92 40.65 3hpq s ASP 197 CO 0.12 -1.64 1.23 0.61 -0.17 0.00 0.00 175.17 175.31 3hpq n GLY 198 N 5.39 -0.79 0.09 2.66 0.00 -0.05 -2.82 105.19 109.68 3hpq n GLY 198 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3hpq n GLY 198 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hpq h THR 199 N 0.00 0.00 -4.28 2.61 1.35 -1.90 -3.47 112.91 107.21 3hpq h THR 199 Ca 0.00 -0.58 -0.51 0.00 -0.55 0.00 0.00 66.41 64.77 3hpq h THR 199 Cb 0.00 1.27 0.13 0.00 -1.73 0.00 0.00 68.15 67.82 3hpq h THR 199 CO 0.00 0.00 0.33 -0.54 -0.25 0.00 0.00 175.52 175.06 3hpq s LYS 200 N -3.18 2.29 0.71 4.72 1.02 -1.13 -4.99 119.74 119.19 3hpq s LYS 200 Ca 0.06 1.26 -0.16 0.00 0.02 0.00 0.00 55.97 57.15 3hpq s LYS 200 Cb 0.12 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 3hpq s LYS 200 CO 0.70 -1.63 0.80 -2.30 -0.92 0.00 0.00 175.35 172.00 3hpq n PRO 201 N -3.31 0.46 -0.27 -1.68 -0.02 -1.26 -4.69 135.00 124.23 3hpq n PRO 201 Ca 0.10 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 3hpq n PRO 201 Cb 0.53 -2.06 0.21 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.23 0.58 -0.55 -1.45 2.07 -1.94 -0.81 116.25 113.91 3hpq h VAL 202 Ca -0.47 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3hpq h VAL 202 Cb 1.34 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3hpq h VAL 202 CO 0.46 0.07 0.12 0.00 0.02 0.00 0.00 177.57 178.23 3hpq h ALA 203 N 1.60 1.16 -0.17 1.67 0.00 -1.95 -1.64 119.26 119.94 3hpq h ALA 203 Ca 0.45 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3hpq h ALA 203 Cb 0.75 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hpq h ALA 203 CO -0.46 0.56 -0.58 0.93 0.00 0.00 0.00 179.25 179.70 3hpq h GLU 204 N 0.83 0.55 -0.55 0.00 5.08 -1.52 -1.95 114.58 117.02 3hpq h GLU 204 Ca 0.18 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 3hpq h GLU 204 Cb 0.33 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3hpq h GLU 204 CO 0.00 0.98 -0.01 0.28 -1.00 0.00 0.00 179.01 179.26 3hpq h VAL 205 N 0.42 1.26 -0.62 3.13 2.07 -1.06 -0.38 116.25 121.06 3hpq h VAL 205 Ca 0.00 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3hpq h VAL 205 Cb 1.13 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3hpq h VAL 205 CO 0.11 0.40 0.38 -0.09 0.02 0.00 0.00 177.57 178.39 3hpq h ARG 206 N 0.87 0.84 -0.64 1.57 2.43 -1.15 -0.26 114.38 118.04 3hpq h ARG 206 Ca 0.16 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3hpq h ARG 206 Cb 0.52 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3hpq h ARG 206 CO 0.03 0.59 0.24 0.00 -1.51 0.00 0.00 179.97 179.32 3hpq h ALA 207 N 1.20 0.83 -0.73 2.80 0.00 -0.98 -0.14 119.26 122.24 3hpq h ALA 207 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hpq h ALA 207 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3hpq h ALA 207 CO -0.04 0.47 0.41 -0.44 0.00 0.00 0.00 179.25 179.65 3hpq h ASP 208 N 0.90 0.90 0.24 0.00 3.32 -0.61 -1.81 116.42 119.37 3hpq h ASP 208 Ca 0.21 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3hpq h ASP 208 Cb 0.24 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3hpq h ASP 208 CO -0.01 0.73 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.80 3hpq h LEU 209 N 1.01 0.19 -0.20 1.55 3.38 -0.73 -2.47 115.31 118.04 3hpq h LEU 209 Ca 0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3hpq h LEU 209 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hpq h LEU 209 CO -0.04 0.55 0.08 -0.08 0.09 0.00 0.00 178.44 179.04 3hpq h GLU 210 N 0.16 0.29 -0.33 1.13 4.57 -0.46 -0.45 114.58 119.49 3hpq h GLU 210 Ca 0.02 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3hpq h GLU 210 Cb 0.73 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 3hpq h GLU 210 CO 0.05 0.34 0.01 0.87 -1.18 0.00 0.00 179.01 179.11 3hpq h LYS 211 N 0.17 0.10 -0.28 1.92 1.57 -1.15 -0.25 116.57 118.66 3hpq h LYS 211 Ca 0.07 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3hpq h LYS 211 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hpq h LYS 211 CO -0.01 0.07 0.10 0.82 -0.57 0.00 0.00 179.45 179.86 3hpq h ILE 212 N 0.10 1.19 0.00 1.86 2.04 -1.22 -3.17 117.51 118.32 3hpq h ILE 212 Ca 0.16 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hpq h ILE 212 Cb 0.21 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3hpq h ILE 212 CO -0.26 0.21 -0.27 -0.07 0.00 0.00 0.00 178.15 177.75 3hpq h LEU 213 N 0.30 0.00 0.00 1.44 3.38 -0.96 -3.52 115.31 115.95 3hpq h LEU 213 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hpq h LEU 213 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hpq h LEU 213 CO -0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18