#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgq n SER 28 N 0.00 1.19 -1.22 8.00 3.41 -1.26 -4.87 113.62 118.87 3hgq n SER 28 Ca 0.00 -1.46 -0.13 0.00 -0.26 0.00 0.00 58.87 57.03 3hgq n SER 28 Cb 0.00 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3hgq n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hgq n GLY 29 N 1.11 0.65 2.77 5.00 0.00 -1.26 -4.96 105.19 108.50 3hgq n GLY 29 Ca 0.19 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 3hgq n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hgq s ASP 30 N -2.65 0.89 0.25 1.61 -1.08 -1.26 -1.56 116.67 112.87 3hgq s ASP 30 Ca 0.00 -1.63 0.10 0.00 -0.52 0.00 0.00 52.55 50.50 3hgq s ASP 30 Cb 0.00 0.66 -0.04 0.00 -1.46 0.00 0.00 42.92 42.07 3hgq s ASP 30 CO 0.00 -0.24 -0.07 -0.31 0.52 0.00 0.00 175.17 175.07 3hgq s TYR 31 N 1.34 2.59 0.06 -5.34 2.02 0.28 -5.00 117.35 113.29 3hgq s TYR 31 Ca 0.18 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3hgq s TYR 31 Cb -0.13 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3hgq s TYR 31 CO -0.03 0.62 0.09 1.67 -1.57 0.00 0.00 175.55 176.32 3hgq s TRP 32 N -2.23 3.23 -0.38 2.71 1.48 -1.26 -0.64 118.94 121.85 3hgq s TRP 32 Ca 0.30 0.12 0.02 0.00 -1.06 0.00 0.00 56.10 55.48 3hgq s TRP 32 Cb -0.07 -1.66 0.11 0.00 -1.16 0.00 0.00 33.47 30.70 3hgq s TRP 32 CO 0.18 0.53 0.13 -1.17 -4.06 0.00 0.00 176.95 172.56 3hgq s LEU 33 N -2.23 3.72 0.54 -4.66 2.96 0.11 -4.82 118.68 114.30 3hgq s LEU 33 Ca 0.28 -2.26 -0.22 0.00 -0.22 0.00 0.00 54.13 51.71 3hgq s LEU 33 Cb -0.12 -1.35 -0.06 0.00 0.50 0.00 0.00 46.19 45.17 3hgq s LEU 33 CO 0.20 -0.34 1.29 -2.65 -1.32 0.00 0.00 176.35 173.53 3hgq n PRO 34 N 4.07 1.61 -4.10 0.98 -0.02 -1.25 -1.67 135.00 134.63 3hgq n PRO 34 Ca 0.03 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3hgq n PRO 34 Cb 0.39 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 3hgq n PRO 34 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hgq s THR 35 N -1.30 0.65 0.00 3.45 -4.23 0.18 -4.79 115.64 109.60 3hgq s THR 35 Ca 0.71 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3hgq s THR 35 Cb -0.43 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.57 3hgq s THR 35 CO 0.50 -0.43 0.00 0.35 -0.54 0.00 0.00 174.62 174.50 3hgq n THR 36 N 1.20 0.00 -4.26 3.99 -2.24 -1.26 -2.57 114.28 109.14 3hgq n THR 36 Ca -0.21 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 3hgq n THR 36 Cb 0.55 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 3hgq n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hgq s SER 38 N -1.07 4.54 0.28 3.42 1.04 -1.26 -3.79 113.70 116.85 3hgq s SER 38 Ca 0.00 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.91 3hgq s SER 38 Cb 0.00 -0.87 0.62 0.00 0.10 0.00 0.00 66.02 65.87 3hgq s SER 38 CO 0.00 0.06 1.75 0.25 0.98 0.00 0.00 173.24 176.29 3hgq h LEU 39 N 2.49 0.56 -0.44 2.42 5.85 -1.95 0.18 115.31 124.42 3hgq h LEU 39 Ca -0.46 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 3hgq h LEU 39 Cb 1.22 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3hgq h LEU 39 CO 0.58 0.20 0.09 0.22 -0.34 0.00 0.00 178.44 179.19 3hgq h TYR 40 N 0.62 0.76 -0.84 1.25 3.20 -1.97 -1.32 116.97 118.67 3hgq h TYR 40 Ca 0.51 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.29 3hgq h TYR 40 Cb 0.79 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3hgq h TYR 40 CO -0.08 0.71 0.54 1.96 -1.64 0.00 0.00 178.16 179.65 3hgq h GLN 41 N 0.59 1.11 0.65 1.82 4.20 -1.47 -0.17 115.11 121.84 3hgq h GLN 41 Ca 0.14 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3hgq h GLN 41 Cb 0.34 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hgq h GLN 41 CO 0.00 0.75 -0.31 0.87 -0.67 0.00 0.00 178.83 179.47 3hgq h LYS 42 N 1.14 -0.84 0.00 1.46 1.57 -0.63 -2.42 116.57 116.85 3hgq h LYS 42 Ca 0.30 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 3hgq h LYS 42 Cb -0.10 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hgq h LYS 42 CO -0.06 -0.52 -0.19 1.49 -0.57 0.00 0.00 179.45 179.60 3hgq h GLU 43 N -1.04 0.00 0.29 3.15 4.57 -1.11 -0.47 114.58 119.97 3hgq h GLU 43 Ca -0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3hgq h GLU 43 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3hgq h GLU 43 CO 0.15 0.19 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.95 3hgq h LEU 44 N 0.00 -0.33 -0.35 1.64 3.38 -1.00 -0.62 115.31 118.03 3hgq h LEU 44 Ca -0.00 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3hgq h LEU 44 Cb 0.49 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3hgq h LEU 44 CO 0.02 -0.15 0.08 0.74 0.09 0.00 0.00 178.44 179.22 3hgq h THR 45 N -0.50 0.84 -0.97 0.22 2.02 -0.83 0.99 112.91 114.69 3hgq h THR 45 Ca -0.04 -0.07 0.15 0.00 0.77 0.00 0.00 66.41 67.22 3hgq h THR 45 Cb 0.37 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 3hgq h THR 45 CO 0.07 0.04 0.61 -0.78 0.37 0.00 0.00 175.52 175.82 3hgq h ASP 46 N 0.20 0.80 -0.03 4.18 -0.00 -1.05 0.14 116.42 120.66 3hgq h ASP 46 Ca 0.16 0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.24 3hgq h ASP 46 Cb 0.18 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3hgq h ASP 46 CO -0.21 0.38 -0.01 1.56 -0.00 0.00 0.00 179.24 180.96 3hgq h GLN 47 N 0.83 0.06 -0.92 0.28 4.20 0.17 -2.06 115.11 117.68 3hgq h GLN 47 Ca 0.50 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.36 3hgq h GLN 47 Cb 0.68 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 3hgq h GLN 47 CO -0.27 0.44 0.50 0.82 -0.67 0.00 0.00 178.83 179.65 3hgq h ILE 48 N -0.32 0.70 -0.07 2.54 2.04 0.30 0.57 117.51 123.26 3hgq h ILE 48 Ca 0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3hgq h ILE 48 Cb 0.42 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hgq h ILE 48 CO 0.00 0.12 -0.00 0.58 0.00 0.00 0.00 178.15 178.85 3hgq h VAL 49 N 0.67 1.25 -0.76 1.67 2.07 -0.96 -2.80 116.25 117.39 3hgq h VAL 49 Ca 0.52 -0.79 0.13 0.00 0.82 0.00 0.00 66.70 67.37 3hgq h VAL 49 Cb 0.79 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3hgq h VAL 49 CO -0.38 0.22 0.50 0.28 0.02 0.00 0.00 177.57 178.21 3hgq h SER 50 N -0.16 0.49 -0.04 0.57 0.02 -0.43 -1.67 113.55 112.33 3hgq h SER 50 Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hgq h SER 50 Cb 0.35 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3hgq h SER 50 CO 0.00 0.27 0.03 0.25 -1.14 0.00 0.00 176.83 176.24 3hgq h LEU 51 N 0.53 0.05 -2.02 5.07 5.85 -0.69 -2.07 115.31 122.03 3hgq h LEU 51 Ca 0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3hgq h LEU 51 Cb 0.68 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3hgq h LEU 51 CO -0.13 0.05 0.00 1.41 -0.34 0.00 0.00 178.44 179.43 3hgq n HIS 52 N -5.05 0.87 -0.14 1.25 8.25 -0.70 -4.58 115.22 115.11 3hgq n HIS 52 Ca -0.06 -0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.00 3hgq n HIS 52 Cb 0.03 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 30.83 3hgq n HIS 52 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3hgq h TYR 53 N 1.78 -1.15 -0.44 4.41 3.20 -0.60 0.20 116.97 124.37 3hgq h TYR 53 Ca 0.00 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3hgq h TYR 53 Cb 1.07 0.55 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 3hgq h TYR 53 CO 0.45 -0.30 0.24 1.03 -1.64 0.00 0.00 178.16 177.95 3hgq h SER 54 N -0.19 0.56 -0.81 -2.11 0.87 -1.83 -2.21 113.55 107.82 3hgq h SER 54 Ca 0.06 -0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.64 3hgq h SER 54 Cb 0.36 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 3hgq h SER 54 CO -0.45 0.48 0.53 0.44 -0.53 0.00 0.00 176.83 177.31 3hgq h ASP 55 N 0.58 0.63 0.43 6.23 3.32 -1.72 -1.15 116.42 124.74 3hgq h ASP 55 Ca 0.16 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3hgq h ASP 55 Cb 0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3hgq h ASP 55 CO -0.03 0.36 -0.21 0.40 -1.72 0.00 0.00 179.24 178.05 3hgq h ILE 56 N 0.68 0.56 -1.00 0.35 2.04 -0.02 -1.09 117.51 119.04 3hgq h ILE 56 Ca 0.38 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 66.10 3hgq h ILE 56 Cb 0.55 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.24 3hgq h ILE 56 CO -0.15 0.05 0.62 -0.07 0.00 0.00 0.00 178.15 178.60 3hgq h LEU 57 N -0.74 0.89 0.54 1.44 3.38 -1.08 -1.59 115.31 118.14 3hgq h LEU 57 Ca -0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hgq h LEU 57 Cb 0.52 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hgq h LEU 57 CO 0.10 0.44 -0.26 -0.09 0.09 0.00 0.00 178.44 178.72 3hgq h ARG 58 N 0.94 -0.69 -0.32 1.13 9.65 -1.08 0.14 114.38 124.14 3hgq h ARG 58 Ca 0.51 0.05 0.09 0.00 -1.10 0.00 0.00 59.98 59.53 3hgq h ARG 58 Cb 0.58 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.30 3hgq h ARG 58 CO -0.29 -0.46 0.34 -0.92 2.80 0.00 0.00 179.97 181.44 3hgq h TYR 59 N -0.73 0.00 0.00 2.20 5.03 -0.24 -1.46 116.97 121.77 3hgq h TYR 59 Ca -0.07 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.04 3hgq h TYR 59 Cb 0.55 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.80 3hgq h TYR 59 CO -0.04 0.00 -2.06 1.19 -1.32 0.00 0.00 178.16 175.93 3hgq n PHE 60 N -3.79 0.19 0.00 -3.82 3.72 -0.88 -4.54 117.46 108.33 3hgq n PHE 60 Ca 0.05 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3hgq n PHE 60 Cb 0.49 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 3hgq n PHE 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3hgq n GLU 61 N -2.60 0.00 -1.10 -1.08 2.13 0.02 -3.99 120.64 114.01 3hgq n GLU 61 Ca -0.18 0.10 -0.43 0.00 0.66 0.00 0.00 57.16 57.31 3hgq n GLU 61 Cb 0.89 -0.90 -0.06 0.00 0.27 0.00 0.00 31.44 31.64 3hgq n GLU 61 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3hgq n THR 62 N -0.80 1.75 -2.05 6.31 -2.24 -1.10 -4.92 114.28 111.23 3hgq n THR 62 Ca 0.00 -1.51 -0.35 0.00 -2.27 0.00 0.00 64.05 59.92 3hgq n THR 62 Cb 0.00 -2.30 0.02 0.00 -2.10 0.00 0.00 70.33 65.95 3hgq n THR 62 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hgq s SER 63 N 5.04 5.39 0.00 3.42 1.04 -1.26 -2.87 113.70 124.46 3hgq s SER 63 Ca 0.57 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.19 3hgq s SER 63 Cb 0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3hgq s SER 63 CO 0.12 -1.45 0.00 1.57 0.98 0.00 0.00 173.24 174.47 3hgq n HIS 64 N -1.68 0.00 0.11 5.02 -0.00 -1.26 -4.54 115.22 112.87 3hgq n HIS 64 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.69 3hgq n HIS 64 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 3hgq n HIS 64 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 3hgq h TYR 65 N 0.00 -1.21 -3.80 1.57 3.20 -1.97 -3.48 116.97 111.28 3hgq h TYR 65 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hgq h TYR 65 Cb 0.00 0.51 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3hgq h TYR 65 CO 0.00 -0.52 -0.26 0.36 -1.64 0.00 0.00 178.16 176.10 3hgq n LYS 66 N -5.47 -1.42 -3.56 1.82 2.85 -1.14 -4.98 118.16 106.26 3hgq n LYS 66 Ca -0.07 1.02 -0.30 0.00 -1.05 0.00 0.00 58.31 57.90 3hgq n LYS 66 Cb 0.38 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.16 3hgq n LYS 66 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3hgq s GLU 67 N -0.15 3.63 0.18 -1.58 -1.05 -1.26 -4.99 118.70 113.47 3hgq s GLU 67 Ca 0.00 -0.07 -0.13 0.00 -0.15 0.00 0.00 54.97 54.62 3hgq s GLU 67 Cb 0.00 -2.77 0.08 0.00 -0.44 0.00 0.00 34.13 31.01 3hgq s GLU 67 CO 0.00 0.37 1.81 -0.44 0.95 0.00 0.00 175.26 177.95 3hgq h ASP 68 N 2.33 0.71 -0.53 0.83 3.32 -1.99 -1.79 116.42 119.29 3hgq h ASP 68 Ca -0.47 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 56.61 3hgq h ASP 68 Cb 1.18 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 3hgq h ASP 68 CO 0.70 0.56 0.11 0.58 -1.72 0.00 0.00 179.24 179.47 3hgq h VAL 69 N 0.79 0.70 -0.48 -1.35 2.07 -1.99 -1.16 116.25 114.82 3hgq h VAL 69 Ca 0.21 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3hgq h VAL 69 Cb -0.01 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3hgq h VAL 69 CO -0.04 0.05 0.12 0.40 0.02 0.00 0.00 177.57 178.11 3hgq h ILE 70 N 0.25 1.24 -0.11 4.57 1.08 -1.85 -1.42 117.51 121.27 3hgq h ILE 70 Ca 0.27 -0.84 0.04 0.00 -0.39 0.00 0.00 64.86 63.94 3hgq h ILE 70 Cb 0.37 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 3hgq h ILE 70 CO -0.35 0.30 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.17 3hgq h LEU 71 N 0.66 -0.54 -1.58 1.44 3.38 -0.86 -1.09 115.31 116.73 3hgq h LEU 71 Ca 0.15 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.32 3hgq h LEU 71 Cb 0.33 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3hgq h LEU 71 CO 0.00 -0.23 0.44 -0.33 0.09 0.00 0.00 178.44 178.42 3hgq h GLU 72 N -0.23 0.45 -0.33 1.13 4.39 -1.02 0.26 114.58 119.23 3hgq h GLU 72 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3hgq h GLU 72 Cb 0.36 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hgq h GLU 72 CO -0.24 0.30 0.00 0.45 -1.16 0.00 0.00 179.01 178.36 3hgq n SER 73 N -4.48 0.33 0.00 1.42 2.88 -0.41 -0.89 113.62 112.47 3hgq n SER 73 Ca 0.11 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 3hgq n SER 73 Cb 0.39 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3hgq n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3hgq n LYS 75 N 0.33 0.00 -0.49 -1.46 4.81 0.92 -4.54 118.16 117.73 3hgq n LYS 75 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3hgq n LYS 75 Cb 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.12 3hgq n LYS 75 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3hgq n THR 76 N 0.00 1.91 0.00 3.15 -2.24 -0.07 -1.31 114.28 115.72 3hgq n THR 76 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3hgq n THR 76 Cb 0.00 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 3hgq n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgq h LEU 79 N 0.00 -0.21 -1.39 0.00 5.85 -1.58 -1.46 115.31 116.51 3hgq h LEU 79 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3hgq h LEU 79 Cb 0.00 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3hgq h LEU 79 CO 0.00 -0.02 0.13 0.78 -0.34 0.00 0.00 178.44 179.00 3hgq h ASN 80 N -0.40 0.49 -0.42 1.25 2.35 -1.12 -1.33 115.58 116.40 3hgq h ASN 80 Ca -0.03 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3hgq h ASN 80 Cb 0.31 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3hgq h ASN 80 CO 0.04 0.47 0.23 1.23 -1.65 0.00 0.00 177.43 177.74 3hgq h GLY 81 N 0.72 0.63 0.82 2.83 0.00 -1.76 -2.59 103.07 103.72 3hgq h GLY 81 Ca 0.13 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3hgq h GLY 81 CO -0.01 0.28 0.21 1.76 0.00 0.00 0.00 176.54 178.78 3hgq h SER 82 N 0.55 0.32 0.19 0.19 0.02 -0.21 -1.42 113.55 113.18 3hgq h SER 82 Ca 0.15 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3hgq h SER 82 Cb 0.07 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3hgq h SER 82 CO -0.02 0.23 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.56 3hgq h LEU 83 N 0.43 -0.75 -1.34 5.07 3.38 -1.25 -2.58 115.31 118.27 3hgq h LEU 83 Ca 0.17 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.30 3hgq h LEU 83 Cb 0.07 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3hgq h LEU 83 CO -0.11 -0.37 0.51 0.58 0.09 0.00 0.00 178.44 179.13 3hgq h VAL 84 N -0.52 0.99 -0.26 1.22 2.07 -1.28 0.27 116.25 118.73 3hgq h VAL 84 Ca 0.01 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hgq h VAL 84 Cb 0.52 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3hgq h VAL 84 CO -0.11 0.14 0.17 0.00 0.02 0.00 0.00 177.57 177.79 3hgq h ALA 85 N 1.60 1.86 0.00 1.67 0.00 -0.85 -2.80 119.26 120.74 3hgq h ALA 85 Ca 0.35 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.87 3hgq h ALA 85 Cb 0.35 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3hgq h ALA 85 CO -0.13 0.11 -2.38 0.25 0.00 0.00 0.00 179.25 177.11 3hgq n THR 86 N -4.50 1.40 -3.65 0.00 -2.24 -0.55 -4.59 114.28 100.15 3hgq n THR 86 Ca 0.01 -0.85 -0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3hgq n THR 86 Cb 0.10 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 3hgq n THR 86 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hgq s HIS 87 N -2.49 -0.27 0.48 4.78 5.65 0.84 -4.56 115.29 119.71 3hgq s HIS 87 Ca -0.10 0.55 0.21 0.00 0.25 0.00 0.00 55.06 55.97 3hgq s HIS 87 Cb 0.06 0.20 1.23 0.00 -1.18 0.00 0.00 32.58 32.89 3hgq s HIS 87 CO 0.83 -0.13 1.95 -1.35 -0.65 0.00 0.00 174.74 175.38 3hgq h PRO 88 N 5.28 0.20 0.00 2.88 0.11 -1.78 -0.44 132.00 138.26 3hgq h PRO 88 Ca -0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3hgq h PRO 88 Cb 1.17 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hgq h PRO 88 CO 0.21 0.13 -0.08 1.88 -0.21 0.00 0.00 178.00 179.94 3hgq h TYR 89 N 0.21 0.00 0.00 0.65 0.05 -1.92 0.19 116.97 116.14 3hgq h TYR 89 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.10 3hgq h TYR 89 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.71 3hgq h TYR 89 CO -0.00 0.08 0.00 -0.07 -1.05 0.00 0.00 178.16 177.12 3hgq h LEU 90 N 0.00 0.00 0.00 3.88 3.38 -1.37 -3.18 115.31 118.02 3hgq h LEU 90 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hgq h LEU 90 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hgq h LEU 90 CO 0.01 0.00 -1.27 -0.11 0.09 0.00 0.00 178.44 177.16 3hgq n LEU 91 N -2.44 0.00 -3.60 1.67 7.94 -0.22 -4.97 117.00 115.38 3hgq n LEU 91 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3hgq n LEU 91 Cb 0.16 0.08 -0.15 0.00 0.53 0.00 0.00 43.42 44.05 3hgq n LEU 91 CO 0.18 0.08 -0.33 -0.63 -1.11 0.00 0.00 177.39 175.58 3hgq s ILE 92 N -2.15 0.26 0.29 1.96 1.01 -0.12 -4.99 121.20 117.46 3hgq s ILE 92 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3hgq s ILE 92 Cb 0.02 -1.22 0.28 0.00 0.01 0.00 0.00 42.46 41.54 3hgq s ILE 92 CO 0.18 -0.72 1.77 0.44 0.00 0.00 0.00 174.94 176.60 3hgq h ASP 93 N 8.24 0.65 -0.35 3.58 5.19 -1.86 -3.41 116.42 128.46 3hgq h ASP 93 Ca -0.17 0.10 -0.33 0.00 -0.62 0.00 0.00 57.03 56.01 3hgq h ASP 93 Cb 1.01 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3hgq h ASP 93 CO 0.45 0.24 0.28 1.41 -3.12 0.00 0.00 179.24 178.49 3hgq n HIS 94 N -4.83 0.65 -1.62 4.55 8.25 -1.26 -4.86 115.22 116.11 3hgq n HIS 94 Ca 0.21 0.43 -0.01 0.00 -0.26 0.00 0.00 57.72 58.09 3hgq n HIS 94 Cb 0.52 -0.85 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 3hgq n HIS 94 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hgq n TYR 95 N 1.63 -0.66 -4.19 4.41 4.01 -1.26 -5.05 117.16 116.05 3hgq n TYR 95 Ca 0.13 0.38 -0.35 0.00 -0.16 0.00 0.00 57.90 57.90 3hgq n TYR 95 Cb -0.02 -1.89 -0.08 0.00 -0.31 0.00 0.00 39.34 37.04 3hgq n TYR 95 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3hgq s PRO 97 N -1.03 3.13 0.39 -0.72 0.02 -1.26 -5.15 135.00 130.38 3hgq s PRO 97 Ca -0.04 -0.33 0.19 0.00 0.02 0.00 0.00 61.00 60.84 3hgq s PRO 97 Cb 0.00 -2.92 0.80 0.00 0.02 0.00 0.00 34.50 32.40 3hgq s PRO 97 CO 0.11 0.72 1.80 0.87 -0.33 0.00 0.00 177.00 180.17 3hgq h LYS 98 N 4.98 0.00 -5.69 5.54 1.57 -2.04 -3.41 116.57 117.52 3hgq h LYS 98 Ca -0.52 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.58 3hgq h LYS 98 Cb 1.20 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.20 3hgq h LYS 98 CO 0.56 0.34 -0.87 0.45 -0.57 0.00 0.00 179.45 179.36 3hgq s SER 99 N -6.50 3.19 0.00 0.86 0.15 -1.26 -5.01 113.70 105.13 3hgq s SER 99 Ca -0.01 -0.51 0.21 0.00 0.70 0.00 0.00 55.95 56.35 3hgq s SER 99 Cb 0.12 -1.14 0.60 0.00 -1.71 0.00 0.00 66.02 63.88 3hgq s SER 99 CO 0.68 0.21 1.50 0.18 1.20 0.00 0.00 173.24 177.00 3hgq n LEU 100 N 3.21 3.81 -0.06 3.45 4.77 -1.26 -4.39 117.00 126.53 3hgq n LEU 100 Ca -0.18 -1.98 -0.10 0.00 -0.03 0.00 0.00 56.01 53.72 3hgq n LEU 100 Cb 0.52 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 3hgq n LEU 100 CO 0.27 0.95 -0.87 -0.38 -1.33 0.00 0.00 177.39 176.02 3hgq n ILE 101 N 1.50 1.51 -1.21 -0.08 5.41 -1.26 -4.75 119.36 120.48 3hgq n ILE 101 Ca 0.23 -0.81 -0.36 0.00 1.00 0.00 0.00 62.75 62.81 3hgq n ILE 101 Cb 0.60 -0.83 0.07 0.00 -0.71 0.00 0.00 39.64 38.76 3hgq n ILE 101 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3hgq n THR 102 N -2.95 1.55 -0.35 1.39 -2.24 -1.26 -4.83 114.28 105.60 3hgq n THR 102 Ca -0.27 -0.38 0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3hgq n THR 102 Cb 1.10 -0.70 0.29 0.00 -2.10 0.00 0.00 70.33 68.91 3hgq n THR 102 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3hgq h ARG 103 N -0.48 0.85 0.00 -0.78 2.43 -1.98 -2.77 114.38 111.66 3hgq h ARG 103 Ca -0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3hgq h ARG 103 Cb 1.34 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3hgq h ARG 103 CO 0.41 0.57 -0.09 0.38 -1.51 0.00 0.00 179.97 179.73 3hgq h ASP 104 N 0.88 0.00 -0.26 -3.80 2.03 -1.98 -3.37 116.42 109.93 3hgq h ASP 104 Ca 0.52 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.88 3hgq h ASP 104 Cb 0.67 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.09 3hgq h ASP 104 CO -0.30 0.09 -0.35 0.58 -1.03 0.00 0.00 179.24 178.23 3hgq h VAL 105 N 0.00 0.22 -0.71 4.15 2.07 -1.82 -2.35 116.25 117.82 3hgq h VAL 105 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3hgq h VAL 105 Cb 1.03 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 30.89 3hgq h VAL 105 CO 0.01 0.00 -0.04 -0.65 0.02 0.00 0.00 177.57 176.91 3hgq h PRO 106 N -0.35 0.07 -0.64 1.57 0.11 -1.75 0.14 132.00 131.15 3hgq h PRO 106 Ca 0.12 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 3hgq h PRO 106 Cb 0.56 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3hgq h PRO 106 CO -0.45 0.05 0.04 0.00 -0.21 0.00 0.00 178.00 177.43 3hgq h ALA 107 N 1.67 0.86 -0.55 -0.75 0.00 -1.75 -2.47 119.26 116.27 3hgq h ALA 107 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hgq h ALA 107 Cb 0.63 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hgq h ALA 107 CO -0.65 0.67 0.27 1.25 0.00 0.00 0.00 179.25 180.79 3hgq h HIS 108 N 1.01 0.79 -0.52 0.00 6.17 -0.45 -0.33 115.15 121.82 3hgq h HIS 108 Ca 0.19 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.21 3hgq h HIS 108 Cb 0.52 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.18 3hgq h HIS 108 CO 0.04 0.61 0.25 -0.07 0.71 0.00 0.00 177.93 179.47 3hgq h LEU 109 N 0.74 0.69 -0.86 0.26 3.38 -0.70 -2.77 115.31 116.06 3hgq h LEU 109 Ca 0.19 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3hgq h LEU 109 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hgq h LEU 109 CO -0.02 0.63 -0.09 0.00 0.09 0.00 0.00 178.44 179.04 3hgq h ALA 110 N 1.09 1.04 0.00 1.53 0.00 -1.20 -2.19 119.26 119.53 3hgq h ALA 110 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hgq h ALA 110 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hgq h ALA 110 CO -0.02 0.59 0.00 -1.91 0.00 0.00 0.00 179.25 177.90 3hgq n GLU 111 N -4.17 0.12 -0.02 0.00 2.13 -0.15 -2.83 120.64 115.71 3hgq n GLU 111 Ca 0.01 0.47 0.02 0.00 0.66 0.00 0.00 57.16 58.32 3hgq n GLU 111 Cb 0.35 -1.79 0.03 0.00 0.27 0.00 0.00 31.44 30.30 3hgq n GLU 111 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hgq n ASN 112 N -2.04 1.67 -3.41 4.31 4.13 -0.84 -4.89 115.26 114.19 3hgq n ASN 112 Ca 0.01 -1.47 -0.13 0.00 1.68 0.00 0.00 54.58 54.67 3hgq n ASN 112 Cb 0.14 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.25 3hgq n ASN 112 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3hgq s SER 113 N -0.56 0.71 0.41 6.41 0.15 -1.12 -4.52 113.70 115.18 3hgq s SER 113 Ca 0.05 0.05 0.18 0.00 0.70 0.00 0.00 55.95 56.93 3hgq s SER 113 Cb 0.03 0.81 1.09 0.00 -1.71 0.00 0.00 66.02 66.24 3hgq s SER 113 CO 0.05 -0.31 1.83 1.23 1.20 0.00 0.00 173.24 177.24 3hgq h GLY 114 N 8.24 0.97 0.92 9.45 0.00 -1.77 -0.32 103.07 120.55 3hgq h GLY 114 Ca -0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3hgq h GLY 114 CO 0.27 -0.04 0.02 1.70 0.00 0.00 0.00 176.54 178.50 3hgq h LYS 115 N 0.41 0.06 -0.73 4.80 3.64 -1.81 -0.16 116.57 122.77 3hgq h LYS 115 Ca 0.51 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.90 3hgq h LYS 115 Cb 1.28 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 3hgq h LYS 115 CO -0.21 0.13 0.48 0.74 -2.27 0.00 0.00 179.45 178.32 3hgq h PHE 116 N -0.03 0.89 -0.48 1.91 0.05 -1.37 -0.59 116.94 117.33 3hgq h PHE 116 Ca 0.01 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.74 3hgq h PHE 116 Cb 0.09 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.72 3hgq h PHE 116 CO -0.04 0.55 -0.03 1.03 -0.18 0.00 0.00 178.31 179.63 3hgq h SER 117 N 0.95 0.86 0.20 2.17 0.87 -0.68 0.24 113.55 118.16 3hgq h SER 117 Ca 0.28 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3hgq h SER 117 Cb -0.05 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3hgq h SER 117 CO -0.07 0.97 -0.10 0.58 -0.53 0.00 0.00 176.83 177.69 3hgq h VAL 118 N 0.72 0.83 -0.13 2.23 2.07 -0.76 -1.60 116.25 119.61 3hgq h VAL 118 Ca 0.13 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3hgq h VAL 118 Cb 0.55 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3hgq h VAL 118 CO 0.03 0.04 -0.48 0.25 0.02 0.00 0.00 177.57 177.43 3hgq h LEU 119 N -0.35 -1.52 -0.78 2.57 5.85 -0.83 0.31 115.31 120.55 3hgq h LEU 119 Ca -0.03 0.18 0.18 0.00 0.84 0.00 0.00 57.88 59.05 3hgq h LEU 119 Cb 0.27 0.60 -0.12 0.00 0.37 0.00 0.00 40.66 41.77 3hgq h LEU 119 CO 0.05 -0.42 0.15 -0.09 -0.34 0.00 0.00 178.44 177.78 3hgq h ARG 120 N -0.50 0.21 -0.18 1.25 2.43 -0.97 0.28 114.38 116.89 3hgq h ARG 120 Ca 0.03 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3hgq h ARG 120 Cb 0.59 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3hgq h ARG 120 CO -0.39 0.14 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.77 3hgq h ASP 121 N 0.22 -0.07 0.39 -3.80 3.32 -0.10 0.30 116.42 116.68 3hgq h ASP 121 Ca 0.45 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 3hgq h ASP 121 Cb 0.81 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3hgq h ASP 121 CO -0.58 -0.01 -0.52 0.25 -1.72 0.00 0.00 179.24 176.66 3hgq h LEU 122 N 0.06 -1.47 -2.01 1.55 6.46 0.21 -2.48 115.31 117.62 3hgq h LEU 122 Ca 0.08 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 3hgq h LEU 122 Cb 0.10 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3hgq h LEU 122 CO -0.14 -0.64 0.21 0.40 -0.62 0.00 0.00 178.44 177.64 3hgq h ILE 123 N -0.94 0.83 0.00 4.05 1.08 -0.39 0.20 117.51 122.33 3hgq h ILE 123 Ca -0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3hgq h ILE 123 Cb 0.85 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3hgq h ILE 123 CO -0.13 0.00 -0.00 0.78 -0.69 0.00 0.00 178.15 178.11 3hgq h ASN 124 N 0.00 0.00 0.00 1.72 -0.26 -0.46 -0.52 115.58 116.06 3hgq h ASN 124 Ca 0.13 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.72 3hgq h ASN 124 Cb 0.54 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 3hgq h ASN 124 CO -0.00 0.00 -1.17 0.18 -1.06 0.00 0.00 177.43 175.39 3hgq n LEU 125 N -3.18 1.87 0.32 1.61 4.77 0.63 -4.43 117.00 118.59 3hgq n LEU 125 Ca -0.03 0.47 0.21 0.00 -0.03 0.00 0.00 56.01 56.63 3hgq n LEU 125 Cb 0.10 -0.88 1.04 0.00 -2.33 0.00 0.00 43.42 41.35 3hgq n LEU 125 CO 0.22 -0.01 1.12 1.62 -1.33 0.00 0.00 177.39 179.01 3hgq h VAL 126 N -1.00 0.03 0.00 4.08 3.04 -1.31 -1.97 116.25 119.12 3hgq h VAL 126 Ca -0.24 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 3hgq h VAL 126 Cb 1.04 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3hgq h VAL 126 CO -0.14 0.00 -0.11 0.06 -1.01 0.00 0.00 177.57 176.37 3hgq h GLN 127 N 0.00 0.00 0.00 4.17 3.07 -1.30 -2.55 115.11 118.50 3hgq h GLN 127 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 3hgq h GLN 127 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 3hgq h GLN 127 CO 0.00 0.11 -0.25 0.93 0.09 0.00 0.00 178.83 179.71 3hgq h GLU 128 N 0.00 0.00 -6.89 0.06 4.39 -1.58 -3.34 114.58 107.21 3hgq h GLU 128 Ca -0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3hgq h GLU 128 Cb 0.59 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.28 3hgq h GLU 128 CO 0.01 0.25 0.05 0.71 -1.16 0.00 0.00 179.01 178.88 3hgq s TYR 129 N -4.06 3.39 -0.62 4.33 2.02 -0.96 -4.94 117.35 116.50 3hgq s TYR 129 Ca -0.02 0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 57.04 3hgq s TYR 129 Cb 0.13 -2.39 0.07 0.00 -0.40 0.00 0.00 41.96 39.37 3hgq s TYR 129 CO 0.66 -0.41 0.91 -1.21 -1.57 0.00 0.00 175.55 173.93 3hgq s GLU 130 N -4.73 3.15 -0.03 -0.62 2.02 -1.26 -3.04 118.70 114.20 3hgq s GLU 130 Ca 0.49 -0.76 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 3hgq s GLU 130 Cb -0.10 -4.18 0.05 0.00 0.10 0.00 0.00 34.13 29.99 3hgq s GLU 130 CO 0.42 -1.68 0.52 -0.08 0.02 0.00 0.00 175.26 174.46 3hgq s THR 131 N 3.83 0.02 -0.24 3.63 -1.32 -0.97 -4.98 115.64 115.61 3hgq s THR 131 Ca 0.22 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.41 3hgq s THR 131 Cb -0.17 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 3hgq s THR 131 CO 0.12 -0.11 0.10 -1.61 -2.21 0.00 0.00 174.62 170.91 3hgq s GLU 132 N -1.36 3.82 -0.11 7.08 0.41 -1.26 -1.34 118.70 125.95 3hgq s GLU 132 Ca -0.11 -0.40 0.03 0.00 -0.41 0.00 0.00 54.97 54.08 3hgq s GLU 132 Cb -0.02 -3.40 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 3hgq s GLU 132 CO 0.07 -0.07 -0.20 0.95 -0.49 0.00 0.00 175.26 175.51 3hgq s THR 133 N 1.35 2.41 0.02 3.63 -4.23 0.19 -1.53 115.64 117.48 3hgq s THR 133 Ca 0.06 -0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 59.62 3hgq s THR 133 Cb -0.15 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 3hgq s THR 133 CO 0.05 0.55 0.26 0.00 -0.54 0.00 0.00 174.62 174.94 3hgq s ALA 134 N 0.33 3.88 -0.04 3.99 0.00 -1.26 -0.55 121.76 128.10 3hgq s ALA 134 Ca -0.16 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 3hgq s ALA 134 Cb -0.17 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 20.96 3hgq s ALA 134 CO 0.08 0.68 0.01 0.42 0.00 0.00 0.00 175.76 176.95 3hgq s ILE 135 N -1.36 0.20 -0.10 0.00 1.01 0.64 -0.52 121.20 121.07 3hgq s ILE 135 Ca 0.29 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.08 3hgq s ILE 135 Cb -0.13 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 3hgq s ILE 135 CO 0.18 0.18 -0.11 -0.69 0.00 0.00 0.00 174.94 174.51 3hgq s VAL 136 N 1.40 3.30 0.20 2.92 1.01 0.01 -0.24 120.40 129.00 3hgq s VAL 136 Ca -0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3hgq s VAL 136 Cb -0.13 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3hgq s VAL 136 CO -0.03 0.55 0.45 0.00 0.00 0.00 0.00 175.10 176.07 3hgq s ARG 138 N -3.93 3.01 1.19 0.00 1.70 -1.26 -1.54 118.95 118.12 3hgq s ARG 138 Ca 0.14 2.04 -0.17 0.00 -0.47 0.00 0.00 55.73 57.26 3hgq s ARG 138 Cb 0.00 -2.08 0.28 0.00 -0.57 0.00 0.00 34.95 32.58 3hgq s ARG 138 CO 0.01 -1.23 1.06 -1.25 -1.08 0.00 0.00 175.30 172.81 3hgq s PRO 139 N -3.12 -1.11 1.76 3.89 0.04 -1.26 -4.45 135.00 130.76 3hgq s PRO 139 Ca 0.75 0.22 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3hgq s PRO 139 Cb -0.36 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3hgq s PRO 139 CO 0.40 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 174.16 3hgq n GLY 140 N -0.35 0.75 0.30 0.56 0.00 -1.26 -4.15 105.19 101.04 3hgq n GLY 140 Ca 0.09 -1.33 0.06 0.00 0.00 0.00 0.00 46.02 44.85 3hgq n GLY 140 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hgq h ARG 141 N 0.00 0.37 -0.94 1.61 2.43 -2.01 -2.73 114.38 113.11 3hgq h ARG 141 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hgq h ARG 141 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3hgq h ARG 141 CO 0.00 0.24 0.00 2.41 -1.51 0.00 0.00 179.97 181.11 3hgq n THR 142 N -4.49 0.00 0.00 0.20 -1.04 -1.26 -0.89 114.28 106.80 3hgq n THR 142 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3hgq n THR 142 Cb 0.10 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 3hgq n THR 142 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hgq n ASP 144 N 0.70 0.00 -0.29 8.00 8.00 -1.03 -0.75 116.55 131.19 3hgq n ASP 144 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 3hgq n ASP 144 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 3hgq n ASP 144 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hgq h LEU 145 N 0.00 0.87 -0.18 0.64 3.38 -1.31 0.17 115.31 118.88 3hgq h LEU 145 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hgq h LEU 145 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hgq h LEU 145 CO 0.00 0.56 0.12 0.25 0.09 0.00 0.00 178.44 179.45 3hgq h LEU 146 N 0.99 0.21 0.04 1.67 6.46 -1.17 -0.34 115.31 123.18 3hgq h LEU 146 Ca 0.38 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 3hgq h LEU 146 Cb 0.21 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 3hgq h LEU 146 CO -0.14 0.18 -0.02 -0.08 -0.62 0.00 0.00 178.44 177.76 3hgq h GLU 147 N 0.23 -0.05 -0.73 1.25 4.81 -1.52 -1.79 114.58 116.78 3hgq h GLU 147 Ca 0.07 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.41 3hgq h GLU 147 Cb -0.00 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.31 3hgq h GLU 147 CO -0.01 0.00 0.35 0.00 -0.73 0.00 0.00 179.01 178.62 3hgq h ALA 148 N 0.86 1.02 -0.68 2.92 0.00 -0.51 -0.15 119.26 122.73 3hgq h ALA 148 Ca -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hgq h ALA 148 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hgq h ALA 148 CO 0.01 -0.09 0.24 1.25 0.00 0.00 0.00 179.25 180.66 3hgq h LEU 149 N 0.57 0.94 -0.83 0.00 7.12 -0.74 -2.66 115.31 119.70 3hgq h LEU 149 Ca 0.37 -0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.20 3hgq h LEU 149 Cb 0.45 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 3hgq h LEU 149 CO -0.31 0.86 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.66 3hgq h LEU 150 N 0.99 0.00 -1.45 2.25 3.38 -0.18 -2.90 115.31 117.40 3hgq h LEU 150 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hgq h LEU 150 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hgq h LEU 150 CO -0.01 0.14 0.00 -0.07 0.09 0.00 0.00 178.44 178.58 3hgq h LEU 151 N 0.00 0.00 -1.41 1.67 3.38 -0.93 0.30 115.31 118.32 3hgq h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgq h LEU 151 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hgq h LEU 151 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3hgq n GLY 152 N -1.13 0.96 3.18 0.83 0.00 -1.09 -4.87 105.19 103.07 3hgq n GLY 152 Ca -0.01 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 3hgq n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hgq s ASN 153 N -0.78 2.25 -0.93 1.61 0.01 0.09 -5.04 114.94 112.16 3hgq s ASN 153 Ca 0.21 -0.35 -0.25 0.00 -0.71 0.00 0.00 52.86 51.75 3hgq s ASN 153 Cb 0.13 -0.36 -0.20 0.00 0.41 0.00 0.00 41.25 41.23 3hgq s ASN 153 CO 0.11 0.21 1.95 0.29 -1.51 0.00 0.00 177.10 178.16 3hgq n LYS 154 N 2.76 0.77 -3.63 -0.60 4.76 -1.26 -4.78 118.16 116.17 3hgq n LYS 154 Ca -0.16 -1.89 -0.12 0.00 -2.87 0.00 0.00 58.31 53.27 3hgq n LYS 154 Cb 0.53 -3.54 -0.07 0.00 -1.84 0.00 0.00 35.03 30.11 3hgq n LYS 154 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hgq s VAL 155 N 12.28 -0.00 0.40 -0.18 1.01 -1.26 -4.65 120.40 128.00 3hgq s VAL 155 Ca 0.72 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.47 3hgq s VAL 155 Cb 0.02 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3hgq s VAL 155 CO 0.19 0.00 1.05 -1.00 0.00 0.00 0.00 175.10 175.34 3hgq s HIS 156 N 0.72 3.25 -0.12 5.22 3.76 -0.17 -4.92 115.29 123.04 3hgq s HIS 156 Ca -0.03 1.64 0.00 0.00 -0.15 0.00 0.00 55.06 56.52 3hgq s HIS 156 Cb -0.05 -3.13 0.02 0.00 1.11 0.00 0.00 32.58 30.53 3hgq s HIS 156 CO -0.05 -0.65 -0.11 0.42 -0.85 0.00 0.00 174.74 173.50 3hgq s ILE 157 N -1.66 1.23 -0.13 0.60 1.01 -1.26 0.10 121.20 121.09 3hgq s ILE 157 Ca 0.58 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3hgq s ILE 157 Cb -0.22 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3hgq s ILE 157 CO 0.28 0.40 -0.16 -0.54 0.00 0.00 0.00 174.94 174.91 3hgq s LYS 158 N 1.46 3.25 0.33 2.79 -0.14 -0.41 -4.97 119.74 122.05 3hgq s LYS 158 Ca 0.02 -0.75 0.07 0.00 -1.36 0.00 0.00 55.97 53.95 3hgq s LYS 158 Cb -0.13 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 3hgq s LYS 158 CO -0.07 0.14 0.30 1.03 -0.76 0.00 0.00 175.35 175.98 3hgq s ARG 159 N 0.51 2.75 -0.13 1.68 0.52 -1.26 -0.36 118.95 122.66 3hgq s ARG 159 Ca -0.11 -1.28 0.19 0.00 -0.52 0.00 0.00 55.73 54.01 3hgq s ARG 159 Cb -0.16 -2.49 0.44 0.00 0.52 0.00 0.00 34.95 33.25 3hgq s ARG 159 CO 0.04 0.10 1.18 0.66 0.02 0.00 0.00 175.30 177.31 3hgq n TYR 160 N -1.38 0.36 -0.21 -0.53 4.01 -1.23 -4.66 117.16 113.53 3hgq n TYR 160 Ca -0.02 -1.18 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 3hgq n TYR 160 Cb 0.60 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 3hgq n TYR 160 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3hgq n ASP 161 N -0.30 1.41 0.00 7.72 3.85 -1.26 -4.81 116.55 123.15 3hgq n ASP 161 Ca 0.14 -1.61 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 3hgq n ASP 161 Cb 0.93 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.70 3hgq n ASP 161 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hgq n GLY 162 N -0.31 0.79 4.00 6.12 0.00 -1.26 -4.98 105.19 109.55 3hgq n GLY 162 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3hgq n GLY 162 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hgq s HIS 163 N -2.73 2.64 0.00 1.61 3.76 -1.26 -5.12 115.29 114.18 3hgq s HIS 163 Ca 0.00 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3hgq s HIS 163 Cb 0.00 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.35 3hgq s HIS 163 CO 0.00 -0.48 0.00 0.45 -0.85 0.00 0.00 174.74 173.86 3hgq n SER 164 N -1.87 0.00 -0.41 1.40 2.88 -1.26 -4.81 113.62 109.55 3hgq n SER 164 Ca 0.08 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.69 3hgq n SER 164 Cb 0.60 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 3hgq n SER 164 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3hgq n ILE 165 N -0.24 0.00 0.00 2.46 -5.35 -1.26 -5.16 119.36 109.81 3hgq n ILE 165 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3hgq n ILE 165 Cb 0.00 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 3hgq n ILE 165 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hgq n LYS 166 N 0.26 0.00 -2.60 6.28 5.02 -1.26 -4.91 118.16 120.95 3hgq n LYS 166 Ca 0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 3hgq n LYS 166 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.28 3hgq n LYS 166 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hgq s ASP 173 N 1.00 6.19 -0.07 4.39 2.15 -1.26 -5.25 116.67 123.81 3hgq s ASP 173 Ca 0.00 -0.60 0.05 0.00 0.43 0.00 0.00 52.55 52.43 3hgq s ASP 173 Cb 0.00 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 3hgq s ASP 173 CO 0.00 -1.76 -0.23 -0.36 -0.17 0.00 0.00 175.17 172.65 3hgq s PHE 174 N 5.44 2.52 0.29 -5.34 2.99 -1.26 -5.00 117.98 117.62 3hgq s PHE 174 Ca 0.34 -0.76 0.05 0.00 0.00 0.00 0.00 56.93 56.56 3hgq s PHE 174 Cb -0.09 -1.65 0.46 0.00 0.00 0.00 0.00 43.02 41.74 3hgq s PHE 174 CO 0.13 -0.24 1.72 0.66 -0.00 0.00 0.00 175.22 177.48 3hgq h SER 175 N 6.23 0.33 -3.24 1.36 4.64 -1.80 -3.43 113.55 117.63 3hgq h SER 175 Ca -0.29 -0.12 -0.61 0.00 -0.47 0.00 0.00 61.79 60.29 3hgq h SER 175 Cb 1.19 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.06 3hgq h SER 175 CO 0.48 0.66 -0.53 0.00 -0.87 0.00 0.00 176.83 176.57 3hgq s THR 177 N 0.24 2.25 -0.17 0.00 2.01 -0.45 -1.00 115.64 118.51 3hgq s THR 177 Ca 0.06 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 3hgq s THR 177 Cb -0.12 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3hgq s THR 177 CO -0.01 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 3hgq s VAL 178 N -0.33 2.66 -0.25 3.82 1.01 0.12 -0.64 120.40 126.78 3hgq s VAL 178 Ca 0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3hgq s VAL 178 Cb -0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3hgq s VAL 178 CO 0.02 0.50 0.12 -1.00 0.00 0.00 0.00 175.10 174.75 3hgq s HIS 179 N 1.06 3.18 -0.37 5.22 0.09 0.29 -1.29 115.29 123.48 3hgq s HIS 179 Ca -0.00 -0.08 -0.13 0.00 -0.00 0.00 0.00 55.06 54.84 3hgq s HIS 179 Cb -0.15 -2.27 0.00 0.00 -0.00 0.00 0.00 32.58 30.16 3hgq s HIS 179 CO -0.04 -0.17 0.25 -0.51 -0.00 0.00 0.00 174.74 174.28 3hgq s LEU 180 N 1.44 4.72 0.04 0.89 1.43 0.51 -0.26 118.68 127.45 3hgq s LEU 180 Ca 0.06 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3hgq s LEU 180 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3hgq s LEU 180 CO 0.06 -0.32 -0.07 -0.36 0.23 0.00 0.00 176.35 175.88 3hgq s PHE 181 N 1.68 2.84 0.34 0.29 0.08 0.66 -3.51 117.98 120.37 3hgq s PHE 181 Ca 0.05 -0.08 -0.27 0.00 0.12 0.00 0.00 56.93 56.75 3hgq s PHE 181 Cb -0.18 -1.55 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 3hgq s PHE 181 CO 0.10 0.39 1.09 0.45 -0.10 0.00 0.00 175.22 177.15 3hgq s SER 182 N -1.71 7.00 0.24 1.36 0.15 -1.26 -1.91 113.70 117.55 3hgq s SER 182 Ca 0.19 2.21 0.26 0.00 0.70 0.00 0.00 55.95 59.30 3hgq s SER 182 Cb -0.11 -2.61 0.73 0.00 -1.71 0.00 0.00 66.02 62.31 3hgq s SER 182 CO 0.10 -0.33 1.73 0.77 1.20 0.00 0.00 173.24 176.71 3hgq h SER 183 N 3.22 0.00 -2.38 5.45 4.64 -1.60 -3.39 113.55 119.49 3hgq h SER 183 Ca -0.47 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 3hgq h SER 183 Cb 1.22 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.94 3hgq h SER 183 CO 0.65 0.00 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.90 3hgq n GLU 184 N -2.37 3.52 -0.14 4.77 1.02 -1.26 -4.73 120.64 121.45 3hgq n GLU 184 Ca 0.05 -4.70 0.00 0.00 -0.02 0.00 0.00 57.16 52.49 3hgq n GLU 184 Cb 0.44 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 3hgq n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgq n GLY 185 N 0.56 -2.63 0.54 0.62 0.00 -1.26 -5.00 105.19 98.01 3hgq n GLY 185 Ca 0.32 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 3hgq n GLY 185 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hgq n ILE 186 N 0.19 1.36 -0.94 -0.61 5.41 -1.26 -4.73 119.36 118.79 3hgq n ILE 186 Ca 0.00 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.00 3hgq n ILE 186 Cb 0.00 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 3hgq n ILE 186 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3hgq n ASN 187 N -4.00 -1.25 0.00 4.38 2.85 -1.26 -4.83 115.26 111.16 3hgq n ASN 187 Ca -0.08 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.52 3hgq n ASN 187 Cb 0.29 -0.62 0.71 0.00 1.24 0.00 0.00 39.78 41.40 3hgq n ASN 187 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hgq n PHE 188 N -0.61 0.00 0.04 1.20 3.72 -1.26 -2.47 117.46 118.09 3hgq n PHE 188 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 3hgq n PHE 188 Cb 0.30 -0.21 -0.14 0.00 -0.94 0.00 0.00 39.48 38.48 3hgq n PHE 188 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3hgq h THR 189 N 0.00 0.98 0.00 4.37 1.35 -1.98 -2.75 112.91 114.89 3hgq h THR 189 Ca 0.00 -2.66 -0.10 0.00 -0.55 0.00 0.00 66.41 63.11 3hgq h THR 189 Cb 0.18 2.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3hgq h THR 189 CO 0.00 0.80 -0.81 0.50 -0.25 0.00 0.00 175.52 175.76 3hgq h LYS 190 N 0.07 0.00 -2.71 4.72 3.64 -1.96 -3.41 116.57 116.92 3hgq h LYS 190 Ca -0.30 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.49 3hgq h LYS 190 Cb 2.03 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 33.46 3hgq h LYS 190 CO 0.14 0.29 -0.82 0.71 -2.27 0.00 0.00 179.45 177.50 3hgq s TYR 191 N -3.04 1.18 0.55 1.91 2.02 -1.03 -5.08 117.35 113.85 3hgq s TYR 191 Ca 0.01 -1.94 -0.06 0.00 -0.37 0.00 0.00 57.07 54.71 3hgq s TYR 191 Cb 0.08 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3hgq s TYR 191 CO 0.76 -0.81 0.87 -2.14 -1.57 0.00 0.00 175.55 172.66 3hgq s PRO 192 N 0.75 3.27 -1.05 -1.71 0.02 -1.04 -4.14 135.00 131.11 3hgq s PRO 192 Ca 0.19 0.18 -0.22 0.00 0.02 0.00 0.00 61.00 61.16 3hgq s PRO 192 Cb -0.21 -2.29 0.04 0.00 0.02 0.00 0.00 34.50 32.06 3hgq s PRO 192 CO -0.01 -0.47 1.52 0.42 -0.33 0.00 0.00 177.00 178.13 3hgq s ILE 193 N -2.91 3.91 -2.00 2.83 -1.09 -1.26 -4.80 121.20 115.88 3hgq s ILE 193 Ca 0.51 -0.88 0.10 0.00 -2.23 0.00 0.00 60.65 58.15 3hgq s ILE 193 Cb -0.10 -5.01 0.29 0.00 -1.58 0.00 0.00 42.46 36.06 3hgq s ILE 193 CO 0.46 -1.88 1.05 1.17 -1.23 0.00 0.00 174.94 174.51 3hgq n LYS 194 N 8.82 0.45 -0.04 2.79 0.00 -1.26 -4.25 118.16 124.67 3hgq n LYS 194 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.56 3hgq n LYS 194 Cb 0.50 -1.36 -0.04 0.00 0.00 0.00 0.00 35.03 34.13 3hgq n LYS 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hgq h SER 195 N 0.00 -1.16 -0.88 3.14 0.87 -2.04 -3.46 113.55 110.02 3hgq h SER 195 Ca 0.00 0.17 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 3hgq h SER 195 Cb 0.00 0.50 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3hgq h SER 195 CO 0.00 -0.37 -0.18 0.29 -0.53 0.00 0.00 176.83 176.04 3hgq n LYS 196 N -5.42 -0.59 -3.53 2.24 5.02 -1.26 -5.02 118.16 109.61 3hgq n LYS 196 Ca -0.02 0.49 -0.09 0.00 -2.02 0.00 0.00 58.31 56.66 3hgq n LYS 196 Cb 0.34 -4.38 -0.03 0.00 -0.02 0.00 0.00 35.03 30.94 3hgq n LYS 196 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hgq s ALA 197 N -2.35 -1.87 0.63 7.82 0.00 -1.26 -5.17 121.76 119.56 3hgq s ALA 197 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 3hgq s ALA 197 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3hgq s ALA 197 CO 0.00 -0.55 1.14 -0.98 0.00 0.00 0.00 175.76 175.37 3hgq s ARG 198 N -2.37 2.91 -0.33 0.00 1.70 -1.26 -4.97 118.95 114.63 3hgq s ARG 198 Ca 0.02 1.54 -0.27 0.00 -0.47 0.00 0.00 55.73 56.55 3hgq s ARG 198 Cb -0.01 -1.95 0.01 0.00 -0.57 0.00 0.00 34.95 32.43 3hgq s ARG 198 CO -0.05 -1.19 0.98 -0.06 -1.08 0.00 0.00 175.30 173.91 3hgq s PHE 199 N -2.05 3.14 -2.00 5.89 0.08 -1.26 -4.32 117.98 117.46 3hgq s PHE 199 Ca 0.71 1.01 0.04 0.00 0.12 0.00 0.00 56.93 58.80 3hgq s PHE 199 Cb -0.23 -3.59 0.22 0.00 -0.57 0.00 0.00 43.02 38.85 3hgq s PHE 199 CO 0.37 -0.74 0.85 -0.25 -0.10 0.00 0.00 175.22 175.34 3hgq n ASP 200 N 6.72 0.00 -3.74 1.36 9.92 -0.59 -4.71 116.55 125.51 3hgq n ASP 200 Ca 0.09 -1.24 -0.15 0.00 -0.53 0.00 0.00 54.79 52.96 3hgq n ASP 200 Cb 0.48 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.80 3hgq n ASP 200 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hgq s LEU 202 N -1.17 0.69 -0.20 0.64 0.20 0.00 -4.52 118.68 114.32 3hgq s LEU 202 Ca 0.06 0.17 -0.05 0.00 0.69 0.00 0.00 54.13 55.00 3hgq s LEU 202 Cb 0.03 0.12 -0.02 0.00 -0.43 0.00 0.00 46.19 45.88 3hgq s LEU 202 CO 0.04 -0.17 0.00 -0.63 -0.29 0.00 0.00 176.35 175.31 3hgq s ILE 203 N 1.39 3.98 -0.42 6.68 1.01 0.32 -1.34 121.20 132.83 3hgq s ILE 203 Ca -0.06 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 3hgq s ILE 203 Cb -0.12 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.56 3hgq s ILE 203 CO -0.04 0.43 0.63 0.00 0.00 0.00 0.00 174.94 175.96 3hgq h LEU 205 N 9.61 0.00 0.00 0.00 5.85 -1.66 -1.40 115.31 127.71 3hgq h LEU 205 Ca -0.26 -0.23 -0.39 0.00 0.84 0.00 0.00 57.88 57.84 3hgq h LEU 205 Cb 1.10 0.00 0.10 0.00 0.37 0.00 0.00 40.66 42.23 3hgq h LEU 205 CO 0.88 0.72 0.20 0.47 -0.34 0.00 0.00 178.44 180.37 3hgq n ASP 206 N -4.69 0.74 -1.09 1.25 8.00 -1.26 -4.70 116.55 114.80 3hgq n ASP 206 Ca -0.06 -1.76 0.11 0.00 0.71 0.00 0.00 54.79 53.80 3hgq n ASP 206 Cb 0.20 -0.68 0.26 0.00 -0.02 0.00 0.00 41.12 40.87 3hgq n ASP 206 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hgq n THR 207 N -3.02 0.56 0.45 -3.53 -2.24 -1.26 -4.12 114.28 101.12 3hgq n THR 207 Ca 0.14 -0.73 0.12 0.00 -2.27 0.00 0.00 64.05 61.32 3hgq n THR 207 Cb 0.51 0.76 0.47 0.00 -2.10 0.00 0.00 70.33 69.97 3hgq n THR 207 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3hgq n THR 208 N 1.32 0.77 -2.73 4.28 5.66 -1.26 -4.74 114.28 117.58 3hgq n THR 208 Ca 0.20 0.11 -0.43 0.00 -3.05 0.00 0.00 64.05 60.88 3hgq n THR 208 Cb 0.56 -1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 68.28 3hgq n THR 208 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3hgq s VAL 209 N -3.27 4.65 -0.50 1.08 1.01 -1.26 -4.83 120.40 117.28 3hgq s VAL 209 Ca 0.06 1.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 3hgq s VAL 209 Cb 0.10 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.30 3hgq s VAL 209 CO 0.44 -0.31 0.41 -0.62 0.00 0.00 0.00 175.10 175.02 3hgq s ASP 210 N 1.48 5.91 0.29 3.32 -1.08 -1.26 -4.94 116.67 120.39 3hgq s ASP 210 Ca 0.42 -1.82 0.23 0.00 -0.52 0.00 0.00 52.55 50.85 3hgq s ASP 210 Cb -0.14 -2.10 1.06 0.00 -1.46 0.00 0.00 42.92 40.28 3hgq s ASP 210 CO 0.11 -0.75 1.70 0.35 0.52 0.00 0.00 175.17 177.10 3hgq n THR 211 N 5.06 0.90 0.08 1.71 -2.24 -1.26 -2.34 114.28 116.18 3hgq n THR 211 Ca -0.11 0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.99 3hgq n THR 211 Cb 0.41 -1.36 0.01 0.00 -2.10 0.00 0.00 70.33 67.28 3hgq n THR 211 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hgq h SER 212 N 0.00 0.32 -3.01 3.42 4.64 -1.96 -3.35 113.55 113.61 3hgq h SER 212 Ca 0.00 -0.25 -0.54 0.00 -0.47 0.00 0.00 61.79 60.53 3hgq h SER 212 Cb 0.24 -0.10 0.21 0.00 -0.31 0.00 0.00 62.40 62.45 3hgq h SER 212 CO 0.00 1.02 -0.85 0.00 -0.87 0.00 0.00 176.83 176.13 3hgq n GLN 213 N -3.72 -0.11 -0.05 4.77 6.02 -0.99 -4.70 117.38 118.61 3hgq n GLN 213 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.83 3hgq n GLN 213 Cb 0.77 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 3hgq n GLN 213 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3hgq h LYS 214 N -1.17 0.26 -0.63 -1.09 1.57 -1.89 -1.72 116.57 111.90 3hgq h LYS 214 Ca -0.44 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.28 3hgq h LYS 214 Cb 1.30 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 3hgq h LYS 214 CO 0.33 0.59 0.42 0.38 -0.57 0.00 0.00 179.45 180.60 3hgq h ASP 215 N -0.08 0.59 0.57 0.86 -0.00 -1.95 0.35 116.42 116.76 3hgq h ASP 215 Ca 0.03 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.83 3hgq h ASP 215 Cb 0.52 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.71 3hgq h ASP 215 CO 0.02 0.40 -1.02 0.40 -0.00 0.00 0.00 179.24 179.04 3hgq h ILE 216 N 0.68 1.49 -0.31 4.15 5.03 -1.84 -2.66 117.51 124.04 3hgq h ILE 216 Ca 0.26 -2.78 -0.09 0.00 -0.12 0.00 0.00 64.86 62.14 3hgq h ILE 216 Cb 0.18 2.63 -0.02 0.00 -3.03 0.00 0.00 36.82 36.59 3hgq h ILE 216 CO -0.08 0.81 -0.17 1.56 -0.68 0.00 0.00 178.15 179.59 3hgq h GLN 217 N 0.12 0.56 -0.18 2.37 1.08 -0.31 -1.98 115.11 116.77 3hgq h GLN 217 Ca -0.08 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 56.95 3hgq h GLN 217 Cb 1.69 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 29.06 3hgq h GLN 217 CO 0.16 0.71 0.06 -0.92 -0.95 0.00 0.00 178.83 177.89 3hgq h TYR 218 N 0.50 0.11 -0.27 2.96 -0.00 -0.29 -2.59 116.97 117.39 3hgq h TYR 218 Ca 0.08 0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.86 3hgq h TYR 218 Cb 0.59 -0.02 -0.03 0.00 -0.00 0.00 0.00 36.73 37.26 3hgq h TYR 218 CO 0.02 0.06 0.07 -0.07 -0.00 0.00 0.00 178.16 178.24 3hgq h LEU 219 N 0.15 0.05 -1.10 2.82 3.38 -1.11 -2.96 115.31 116.54 3hgq h LEU 219 Ca 0.07 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3hgq h LEU 219 Cb 0.04 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hgq h LEU 219 CO -0.08 0.06 0.22 -0.07 0.09 0.00 0.00 178.44 178.67 3hgq h LEU 220 N 0.18 0.79 -7.86 1.67 3.38 -1.26 -3.30 115.31 108.90 3hgq h LEU 220 Ca 0.12 -0.11 -0.78 0.00 0.09 0.00 0.00 57.88 57.20 3hgq h LEU 220 Cb 0.11 -0.20 -0.25 0.00 0.09 0.00 0.00 40.66 40.41 3hgq h LEU 220 CO -0.15 0.72 0.12 -1.10 0.09 0.00 0.00 178.44 178.11 3hgq s GLN 221 N -5.37 3.56 -0.04 1.13 -0.21 -0.99 -1.32 119.66 116.42 3hgq s GLN 221 Ca -0.10 -2.38 0.06 0.00 0.02 0.00 0.00 55.36 52.96 3hgq s GLN 221 Cb 0.16 -4.44 0.08 0.00 1.00 0.00 0.00 33.01 29.81 3hgq s GLN 221 CO 0.79 -1.32 0.94 0.98 -2.12 0.00 0.00 175.29 174.57 3hgq n TYR 222 N 4.19 0.00 0.00 0.91 9.36 -1.24 -4.80 117.16 125.58 3hgq n TYR 222 Ca 0.12 -0.46 0.00 0.00 3.32 0.00 0.00 57.90 60.89 3hgq n TYR 222 Cb 0.47 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 3hgq n TYR 222 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3hgq n LYS 223 N -0.59 0.00 0.00 2.98 4.81 -1.26 -4.43 118.16 119.67 3hgq n LYS 223 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3hgq n LYS 223 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 3hgq n LYS 223 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hgq n GLU 230 N 0.00 2.12 -0.13 1.64 1.02 -1.26 -5.03 120.64 119.00 3hgq n GLU 230 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3hgq n GLU 230 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 31.91 3hgq n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgq h ARG 231 N 0.00 0.42 -6.33 3.49 3.08 -2.04 -3.42 114.38 109.59 3hgq h ARG 231 Ca 0.00 -0.03 -0.69 0.00 0.07 0.00 0.00 59.98 59.33 3hgq h ARG 231 Cb 0.00 -0.10 -0.29 0.00 0.08 0.00 0.00 29.97 29.67 3hgq h ARG 231 CO 0.00 0.28 -0.86 0.71 -1.07 0.00 0.00 179.97 179.03 3hgq s TYR 232 N -5.42 2.46 0.42 3.04 2.02 -1.26 -4.21 117.35 114.40 3hgq s TYR 232 Ca -0.08 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 55.90 3hgq s TYR 232 Cb 0.20 -1.57 -0.08 0.00 -0.40 0.00 0.00 41.96 40.11 3hgq s TYR 232 CO 0.76 -0.05 1.23 0.00 -1.57 0.00 0.00 175.55 175.92 3hgq s ALA 233 N -0.47 3.14 0.30 3.71 0.00 -0.44 -4.96 121.76 123.04 3hgq s ALA 233 Ca 0.06 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 3hgq s ALA 233 Cb -0.11 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3hgq s ALA 233 CO 0.01 -0.73 1.40 -2.14 0.00 0.00 0.00 175.76 174.30 3hgq s PRO 234 N -2.39 4.28 -0.19 0.00 0.02 -1.26 -4.77 135.00 130.69 3hgq s PRO 234 Ca 0.59 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.80 3hgq s PRO 234 Cb -0.34 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 3hgq s PRO 234 CO 0.42 -0.35 0.22 0.42 -0.33 0.00 0.00 177.00 177.39 3hgq s ILE 235 N -0.63 5.34 -0.12 2.83 1.01 -0.60 -0.82 121.20 128.22 3hgq s ILE 235 Ca 0.54 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.56 3hgq s ILE 235 Cb -0.42 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3hgq s ILE 235 CO 0.50 0.38 -0.12 0.54 0.00 0.00 0.00 174.94 176.25 3hgq s VAL 236 N 0.63 1.32 -0.24 2.92 0.11 -0.45 -0.56 120.40 124.13 3hgq s VAL 236 Ca 0.12 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 3hgq s VAL 236 Cb -0.13 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3hgq s VAL 236 CO 0.02 0.41 0.07 -0.13 -3.33 0.00 0.00 175.10 172.14 3hgq s ARG 237 N 1.32 3.70 -0.19 1.54 0.52 0.19 -1.74 118.95 124.28 3hgq s ARG 237 Ca -0.01 -0.46 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 3hgq s ARG 237 Cb -0.14 -3.29 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 3hgq s ARG 237 CO -0.06 -0.10 1.15 -0.51 0.02 0.00 0.00 175.30 175.80 3hgq s LEU 238 N 1.39 4.14 -0.06 2.53 1.43 -0.53 0.09 118.68 127.68 3hgq s LEU 238 Ca 0.05 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 3hgq s LEU 238 Cb -0.15 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3hgq s LEU 238 CO 0.03 -0.71 -0.03 -0.69 0.23 0.00 0.00 176.35 175.18 3hgq s VAL 239 N 3.32 0.50 -0.13 -1.59 1.01 -0.67 -4.82 120.40 118.02 3hgq s VAL 239 Ca 0.49 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 3hgq s VAL 239 Cb -0.18 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3hgq s VAL 239 CO 0.11 0.24 1.19 0.00 0.00 0.00 0.00 175.10 176.64 3hgq s ALA 240 N 1.29 3.58 0.34 5.51 0.00 -1.26 0.48 121.76 131.71 3hgq s ALA 240 Ca -0.05 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 3hgq s ALA 240 Cb -0.14 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 3hgq s ALA 240 CO -0.02 -0.96 1.31 0.44 0.00 0.00 0.00 175.76 176.53 3hgq n ILE 241 N 5.02 1.91 -1.23 0.00 -0.00 -1.06 -1.98 119.36 122.03 3hgq n ILE 241 Ca 0.12 -0.48 -0.10 0.00 -0.00 0.00 0.00 62.75 62.30 3hgq n ILE 241 Cb 0.46 -1.59 -0.04 0.00 -0.00 0.00 0.00 39.64 38.46 3hgq n ILE 241 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3hgq n ASN 242 N 0.87 -5.06 -4.97 7.28 3.02 -1.26 -0.54 115.26 114.60 3hgq n ASN 242 Ca 0.05 0.24 -0.20 0.00 -0.03 0.00 0.00 54.58 54.64 3hgq n ASN 242 Cb 0.36 -3.78 0.03 0.00 -0.61 0.00 0.00 39.78 35.78 3hgq n ASN 242 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hgq s SER 243 N -2.19 5.32 0.34 6.41 1.04 -0.84 -4.53 113.70 119.26 3hgq s SER 243 Ca 0.00 -0.22 0.11 0.00 0.48 0.00 0.00 55.95 56.32 3hgq s SER 243 Cb 0.00 -0.67 0.92 0.00 0.10 0.00 0.00 66.02 66.37 3hgq s SER 243 CO 0.00 -1.09 1.76 -0.29 0.98 0.00 0.00 173.24 174.60 3hgq h ILE 244 N 0.21 0.58 -0.37 -1.02 6.09 -1.89 0.11 117.51 121.23 3hgq h ILE 244 Ca -0.40 -0.20 0.08 0.00 -1.37 0.00 0.00 64.86 62.97 3hgq h ILE 244 Cb 1.29 -0.04 -0.08 0.00 0.47 0.00 0.00 36.82 38.46 3hgq h ILE 244 CO 0.48 0.10 -0.20 0.44 -3.07 0.00 0.00 178.15 175.91 3hgq h ASP 245 N 0.57 -0.66 -0.10 2.19 5.19 -1.92 0.18 116.42 121.86 3hgq h ASP 245 Ca 0.61 0.15 0.02 0.00 -0.62 0.00 0.00 57.03 57.19 3hgq h ASP 245 Cb 1.22 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 3hgq h ASP 245 CO -0.39 -0.23 -0.04 -0.74 -3.12 0.00 0.00 179.24 174.72 3hgq h HIS 246 N -0.14 -0.09 -0.05 4.55 2.76 -1.08 -2.50 115.15 118.60 3hgq h HIS 246 Ca 0.18 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 3hgq h HIS 246 Cb 0.42 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 3hgq h HIS 246 CO -0.42 -0.07 -0.19 0.00 -1.30 0.00 0.00 177.93 175.96 3hgq h ARG 248 N -0.28 0.58 0.09 0.00 3.08 -0.61 -2.07 114.38 115.18 3hgq h ARG 248 Ca 0.07 -0.05 -0.29 0.00 0.07 0.00 0.00 59.98 59.79 3hgq h ARG 248 Cb 0.38 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.32 3hgq h ARG 248 CO -0.21 0.41 -1.19 1.25 -1.07 0.00 0.00 179.97 179.17 3hgq h LEU 249 N 0.60 0.81 0.00 3.04 7.12 -1.07 -2.50 115.31 123.30 3hgq h LEU 249 Ca 0.16 -0.73 -0.06 0.00 0.13 0.00 0.00 57.88 57.38 3hgq h LEU 249 Cb -0.02 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.85 3hgq h LEU 249 CO -0.03 1.54 -0.39 0.15 -0.13 0.00 0.00 178.44 179.58 3hgq h PHE 250 N 0.27 0.00 0.00 1.25 3.04 -1.20 -3.30 116.94 117.01 3hgq h PHE 250 Ca -0.16 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 3hgq h PHE 250 Cb 1.85 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.36 3hgq h PHE 250 CO 0.10 0.79 -0.06 0.74 -2.02 0.00 0.00 178.31 177.86 3hgq h PHE 251 N -1.00 0.00 -0.31 0.41 0.04 -1.55 -2.31 116.94 112.22 3hgq h PHE 251 Ca -0.09 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.71 3hgq h PHE 251 Cb 0.81 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 3hgq h PHE 251 CO 0.11 0.06 0.21 0.78 -0.60 0.00 0.00 178.31 178.87 3hgq h GLY 252 N 0.48 0.33 -3.48 -1.45 0.00 -1.52 -0.38 103.07 97.04 3hgq h GLY 252 Ca -0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 47.33 46.84 3hgq h GLY 252 CO 0.01 0.10 0.48 0.58 0.00 0.00 0.00 176.54 177.71 3hgq n LYS 253 N -4.49 1.97 0.00 4.80 2.85 -0.87 -3.08 118.16 119.34 3hgq n LYS 253 Ca 0.03 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.04 3hgq n LYS 253 Cb 0.17 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 3hgq n LYS 253 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3hgq n LYS 254 N -0.71 0.00 0.00 -1.58 4.81 -0.29 -4.95 118.16 115.44 3hgq n LYS 254 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3hgq n LYS 254 Cb 1.37 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 36.41 3hgq n LYS 254 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3hgq n PHE 255 N 0.00 0.00 -1.26 5.64 3.72 -0.40 -5.05 117.46 120.11 3hgq n PHE 255 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 3hgq n PHE 255 Cb 0.01 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 3hgq n PHE 255 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hgq n ASP 256 N -0.07 -6.67 0.00 4.37 9.92 -1.18 -4.59 116.55 118.34 3hgq n ASP 256 Ca 0.00 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.22 3hgq n ASP 256 Cb 0.00 -4.16 0.00 0.00 -0.64 0.00 0.00 41.12 36.32 3hgq n ASP 256 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3hgq n LYS 257 N -3.94 0.00 -1.76 -1.24 4.81 -1.26 -3.35 118.16 111.42 3hgq n LYS 257 Ca -0.05 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.11 3hgq n LYS 257 Cb 0.61 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.70 3hgq n LYS 257 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hgq n ASN 258 N -2.11 5.99 -4.71 3.14 3.02 -1.26 -4.93 115.26 114.39 3hgq n ASN 258 Ca 0.00 -3.77 -0.33 0.00 -0.03 0.00 0.00 54.58 50.46 3hgq n ASN 258 Cb 0.00 -0.58 0.12 0.00 -0.61 0.00 0.00 39.78 38.70 3hgq n ASN 258 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hgq s SER 259 N -2.93 3.84 0.17 6.41 1.04 -1.21 -4.93 113.70 116.09 3hgq s SER 259 Ca 0.56 2.23 -0.14 0.00 0.48 0.00 0.00 55.95 59.08 3hgq s SER 259 Cb 0.45 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 64.05 3hgq s SER 259 CO 0.02 -2.49 1.82 -0.09 0.98 0.00 0.00 173.24 173.48 3hgq h ARG 260 N -0.89 0.69 -0.08 4.02 9.65 -1.95 -3.03 114.38 122.79 3hgq h ARG 260 Ca -0.46 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 3hgq h ARG 260 Cb 1.28 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.70 3hgq h ARG 260 CO 0.47 0.48 -0.15 0.93 2.80 0.00 0.00 179.97 184.50 3hgq h GLU 261 N 0.70 0.13 0.74 0.20 5.08 -1.94 -0.78 114.58 118.70 3hgq h GLU 261 Ca 0.19 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3hgq h GLU 261 Cb -0.05 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hgq h GLU 261 CO -0.04 0.29 -0.35 -0.92 -1.00 0.00 0.00 179.01 176.98 3hgq h TYR 262 N 0.12 -0.92 -0.86 4.33 5.03 -1.83 -1.52 116.97 121.32 3hgq h TYR 262 Ca 0.02 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.39 3hgq h TYR 262 Cb 0.35 0.30 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 3hgq h TYR 262 CO 0.00 -0.57 0.56 1.25 -1.32 0.00 0.00 178.16 178.08 3hgq h LEU 263 N -1.10 0.81 0.24 2.82 5.85 -1.43 0.15 115.31 122.67 3hgq h LEU 263 Ca -0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3hgq h LEU 263 Cb 0.76 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3hgq h LEU 263 CO 0.17 0.51 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.32 3hgq h GLU 264 N 0.91 -0.32 -0.75 1.25 5.08 -1.14 -0.24 114.58 119.38 3hgq h GLU 264 Ca 0.38 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.71 3hgq h GLU 264 Cb 0.30 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hgq h GLU 264 CO -0.15 -0.05 0.25 -0.91 -1.00 0.00 0.00 179.01 177.15 3hgq h ASN 265 N -0.56 1.07 -0.19 1.42 2.35 -0.88 -1.80 115.58 117.00 3hgq h ASN 265 Ca -0.03 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 3hgq h ASN 265 Cb 0.41 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3hgq h ASN 265 CO 0.06 0.99 0.01 0.58 -1.65 0.00 0.00 177.43 177.41 3hgq h VAL 266 N 1.10 1.25 -0.21 2.81 2.07 -0.69 -1.64 116.25 120.93 3hgq h VAL 266 Ca 0.24 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3hgq h VAL 266 Cb 0.29 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3hgq h VAL 266 CO -0.01 0.26 -0.06 0.71 0.02 0.00 0.00 177.57 178.48 3hgq h THR 267 N 0.09 1.29 -0.76 2.57 1.35 -1.04 -3.06 112.91 113.35 3hgq h THR 267 Ca 0.05 -1.07 0.06 0.00 -0.55 0.00 0.00 66.41 64.90 3hgq h THR 267 Cb 0.38 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 68.29 3hgq h THR 267 CO 0.01 0.33 0.45 0.00 -0.25 0.00 0.00 175.52 176.05 3hgq h ALA 268 N 0.73 1.03 0.00 6.62 0.00 -1.36 -1.67 119.26 124.62 3hgq h ALA 268 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hgq h ALA 268 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hgq h ALA 268 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3hgq n ALA 269 N -2.35 1.76 0.00 0.00 0.00 -0.62 -1.15 120.51 118.15 3hgq n ALA 269 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3hgq n ALA 269 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3hgq n ALA 269 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hgq n VAL 271 N 0.69 0.00 0.08 0.00 0.31 -0.63 0.08 118.33 118.86 3hgq n VAL 271 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3hgq n VAL 271 Cb 0.15 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.02 3hgq n VAL 271 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3hgq h ILE 272 N 0.00 1.42 0.00 2.52 2.04 -1.38 -3.19 117.51 118.92 3hgq h ILE 272 Ca 0.00 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3hgq h ILE 272 Cb 0.00 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3hgq h ILE 272 CO 0.00 0.77 0.00 0.18 0.00 0.00 0.00 178.15 179.10 3hgq n LEU 273 N -3.70 0.64 -0.55 1.44 4.77 0.11 -3.85 117.00 115.86 3hgq n LEU 273 Ca -0.07 0.59 0.43 0.00 -0.03 0.00 0.00 56.01 56.93 3hgq n LEU 273 Cb 0.87 -0.43 0.66 0.00 -2.33 0.00 0.00 43.42 42.19 3hgq n LEU 273 CO 0.52 -0.29 1.23 -1.14 -1.33 0.00 0.00 177.39 176.38 3hgq n ARG 274 N -2.14 0.00 0.05 3.23 0.63 -1.20 0.11 116.66 117.33 3hgq n ARG 274 Ca 0.05 0.90 -0.10 0.00 -0.92 0.00 0.00 57.85 57.78 3hgq n ARG 274 Cb 0.34 -2.11 -0.13 0.00 0.45 0.00 0.00 32.46 31.02 3hgq n ARG 274 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 3hgq h ASP 275 N 0.00 0.10 -0.38 6.15 -0.00 -1.84 -3.29 116.42 117.16 3hgq h ASP 275 Ca 0.75 -0.13 0.00 0.00 -0.00 0.00 0.00 57.03 57.65 3hgq h ASP 275 Cb 3.11 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 42.40 3hgq h ASP 275 CO -0.01 1.10 0.00 0.54 -0.00 0.00 0.00 179.24 180.87 3hgq n ARG 276 N -3.31 2.43 -1.63 4.15 1.74 0.12 -5.01 116.66 115.15 3hgq n ARG 276 Ca -0.07 -2.23 -0.61 0.00 -0.77 0.00 0.00 57.85 54.16 3hgq n ARG 276 Cb 0.99 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.86 3hgq n ARG 276 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hgq n LEU 277 N 1.40 0.95 -2.62 0.55 0.00 -0.54 -2.86 117.00 113.88 3hgq n LEU 277 Ca 0.18 1.16 -0.21 0.00 0.00 0.00 0.00 56.01 57.14 3hgq n LEU 277 Cb 0.58 -0.96 0.02 0.00 0.00 0.00 0.00 43.42 43.05 3hgq n LEU 277 CO 0.15 -1.22 -0.10 0.61 0.00 0.00 0.00 177.39 176.83 3hgq n GLY 278 N 2.90 -0.45 3.24 -3.96 0.00 0.30 -5.00 105.19 102.23 3hgq n GLY 278 Ca 0.25 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3hgq n GLY 278 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hgq s THR 279 N -3.08 2.54 0.55 2.61 -4.23 -1.14 -4.53 115.64 108.37 3hgq s THR 279 Ca 0.18 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.69 3hgq s THR 279 Cb -0.08 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 3hgq s THR 279 CO 0.22 0.52 1.15 -0.76 -0.54 0.00 0.00 174.62 175.20 3hgq s LEU 280 N 0.90 3.74 0.70 4.79 1.43 -1.26 -4.95 118.68 124.03 3hgq s LEU 280 Ca -0.04 2.23 -0.14 0.00 -1.03 0.00 0.00 54.13 55.15 3hgq s LEU 280 Cb -0.15 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.51 3hgq s LEU 280 CO -0.02 -1.29 1.11 -2.84 0.23 0.00 0.00 176.35 173.55 3hgq s PRO 281 N -3.28 2.53 0.27 1.29 0.02 -1.26 -4.80 135.00 129.77 3hgq s PRO 281 Ca 0.74 1.37 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3hgq s PRO 281 Cb -0.25 -1.92 0.61 0.00 0.02 0.00 0.00 34.50 32.96 3hgq s PRO 281 CO 0.28 -1.46 1.75 -1.35 -0.33 0.00 0.00 177.00 175.90 3hgq h PRO 282 N -0.37 0.57 -0.61 5.54 0.11 -2.01 0.02 132.00 135.25 3hgq h PRO 282 Ca -0.46 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3hgq h PRO 282 Cb 1.25 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3hgq h PRO 282 CO 0.52 0.38 0.22 -0.44 -0.21 0.00 0.00 178.00 178.48 3hgq h ASP 283 N 0.59 0.22 1.70 -2.05 3.32 -2.04 -3.04 116.42 115.12 3hgq h ASP 283 Ca 0.50 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.57 3hgq h ASP 283 Cb 0.78 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3hgq h ASP 283 CO -0.40 0.13 -0.30 0.25 -1.72 0.00 0.00 179.24 177.20 3hgq h LEU 284 N 0.40 0.00 -0.19 1.55 5.85 -1.36 -3.38 115.31 118.19 3hgq h LEU 284 Ca 0.31 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.07 3hgq h LEU 284 Cb 0.38 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3hgq h LEU 284 CO -0.31 0.28 -0.12 0.03 -0.34 0.00 0.00 178.44 177.97 3hgq h ARG 285 N 0.00 -0.12 -0.96 1.25 3.08 -1.31 -2.77 114.38 113.54 3hgq h ARG 285 Ca -0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3hgq h ARG 285 Cb 1.21 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.21 3hgq h ARG 285 CO 0.04 -0.08 0.60 -1.35 -1.07 0.00 0.00 179.97 178.11 3hgq h PRO 286 N -0.12 0.95 -0.73 0.04 0.11 -1.77 0.31 132.00 130.80 3hgq h PRO 286 Ca 0.11 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.28 3hgq h PRO 286 Cb 0.28 -0.22 -0.08 0.00 0.11 0.00 0.00 31.00 31.10 3hgq h PRO 286 CO -0.26 0.63 0.33 0.82 -0.21 0.00 0.00 178.00 179.31 3hgq h ILE 287 N 0.98 0.77 0.02 4.15 2.04 -1.76 0.67 117.51 124.37 3hgq h ILE 287 Ca 0.46 -0.18 -0.21 0.00 1.00 0.00 0.00 64.86 65.93 3hgq h ILE 287 Cb 0.40 0.18 0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3hgq h ILE 287 CO -0.25 0.10 -0.84 1.88 0.00 0.00 0.00 178.15 179.04 3hgq h TYR 288 N 0.53 0.81 -0.73 1.37 0.05 -0.98 -0.32 116.97 117.70 3hgq h TYR 288 Ca 0.38 -0.45 0.09 0.00 0.05 0.00 0.00 58.73 58.79 3hgq h TYR 288 Cb 0.48 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 3hgq h TYR 288 CO -0.13 1.29 0.48 1.03 -1.05 0.00 0.00 178.16 179.77 3hgq h SER 289 N 0.10 0.59 -0.03 3.88 0.87 -0.10 -0.44 113.55 118.42 3hgq h SER 289 Ca -0.11 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3hgq h SER 289 Cb 1.53 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 3hgq h SER 289 CO 0.16 0.36 0.00 1.67 -0.53 0.00 0.00 176.83 178.49 3hgq n GLN 290 N -4.49 1.16 -2.16 2.24 -0.06 0.23 -4.82 117.38 109.47 3hgq n GLN 290 Ca 0.12 -0.15 -0.18 0.00 -2.00 0.00 0.00 57.00 54.79 3hgq n GLN 290 Cb 0.31 -1.36 -0.03 0.00 -4.06 0.00 0.00 30.24 25.10 3hgq n GLN 290 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3hgq n LYS 291 N -0.11 -1.74 -1.30 3.69 0.00 -0.17 -2.96 118.16 115.56 3hgq n LYS 291 Ca 0.01 0.92 -0.07 0.00 0.00 0.00 0.00 58.31 59.17 3hgq n LYS 291 Cb 0.21 -5.48 -0.03 0.00 0.00 0.00 0.00 35.03 29.73 3hgq n LYS 291 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3hgq n LEU 292 N -2.73 -0.59 0.26 3.14 4.77 -0.14 -4.79 117.00 116.92 3hgq n LEU 292 Ca -0.20 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.04 3hgq n LEU 292 Cb 0.64 -1.28 0.72 0.00 -2.33 0.00 0.00 43.42 41.16 3hgq n LEU 292 CO 0.25 -0.33 1.02 0.45 -1.33 0.00 0.00 177.39 177.46 3hgq h HIS 293 N 0.00 0.00 0.00 -1.77 3.86 -1.73 -2.08 115.15 113.43 3hgq h HIS 293 Ca -0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3hgq h HIS 293 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 3hgq h HIS 293 CO 0.19 0.07 0.66 -0.92 0.86 0.00 0.00 177.93 178.80 3hgq h TYR 294 N 0.00 0.00 -0.05 2.45 3.20 -1.86 0.44 116.97 121.16 3hgq h TYR 294 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hgq h TYR 294 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3hgq h TYR 294 CO 0.00 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.80 3hgq n LEU 295 N -2.43 2.83 -0.14 2.82 4.77 -0.78 -4.49 117.00 119.59 3hgq n LEU 295 Ca -0.01 -0.96 -0.08 0.00 -0.03 0.00 0.00 56.01 54.93 3hgq n LEU 295 Cb 0.67 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3hgq n LEU 295 CO 0.05 0.48 0.99 0.58 -1.33 0.00 0.00 177.39 178.16 3hgq h VAL 296 N 4.39 1.15 -0.12 4.08 2.07 -1.11 -0.96 116.25 125.75 3hgq h VAL 296 Ca 0.00 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3hgq h VAL 296 Cb 0.93 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 3hgq h VAL 296 CO 0.00 0.16 -0.34 -0.08 0.02 0.00 0.00 177.57 177.33 3hgq h GLU 297 N 0.53 -0.41 0.00 1.57 4.81 -1.81 -0.65 114.58 118.63 3hgq h GLU 297 Ca 0.14 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3hgq h GLU 297 Cb 0.05 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hgq h GLU 297 CO -0.02 -0.27 -0.08 2.35 -0.73 0.00 0.00 179.01 180.26 3hgq h TRP 298 N -0.43 0.00 -0.00 0.92 7.01 -1.74 -0.99 115.95 120.72 3hgq h TRP 298 Ca 0.09 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.99 3hgq h TRP 298 Cb 0.57 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3hgq h TRP 298 CO -0.42 0.08 -0.46 -0.07 -2.79 0.00 0.00 178.44 174.79 3hgq h LEU 299 N 0.00 0.01 0.01 0.65 3.38 0.25 -2.76 115.31 116.84 3hgq h LEU 299 Ca -0.00 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3hgq h LEU 299 Cb 0.15 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3hgq h LEU 299 CO 0.01 0.47 -1.81 -0.62 0.09 0.00 0.00 178.44 176.57 3hgq n GLU 300 N -4.00 0.65 -3.80 1.13 1.02 -0.65 -4.52 120.64 110.46 3hgq n GLU 300 Ca -0.02 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 3hgq n GLU 300 Cb 0.48 -1.76 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 3hgq n GLU 300 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hgq s ASN 301 N -6.09 4.08 0.00 1.62 0.01 -0.47 -4.96 114.94 109.14 3hgq s ASN 301 Ca -0.07 -3.49 0.01 0.00 -0.71 0.00 0.00 52.86 48.61 3hgq s ASN 301 Cb 0.08 -1.38 0.08 0.00 0.41 0.00 0.00 41.25 40.44 3hgq s ASN 301 CO 0.82 -0.14 0.33 -2.65 -1.51 0.00 0.00 177.10 173.95 3hgq n PRO 302 N 2.42 0.12 -0.02 -0.60 -0.02 -1.05 -0.87 135.00 134.99 3hgq n PRO 302 Ca 0.18 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3hgq n PRO 302 Cb 0.37 -1.18 -0.13 0.00 -0.02 0.00 0.00 33.50 32.54 3hgq n PRO 302 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hgq n THR 303 N -0.68 0.95 -1.61 3.45 -2.24 -1.26 -4.94 114.28 107.95 3hgq n THR 303 Ca 0.01 -0.69 -0.36 0.00 -2.27 0.00 0.00 64.05 60.74 3hgq n THR 303 Cb 0.00 -0.46 0.08 0.00 -2.10 0.00 0.00 70.33 67.85 3hgq n THR 303 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hgq s VAL 304 N -2.94 2.15 0.51 2.28 1.01 -0.05 -4.78 120.40 118.57 3hgq s VAL 304 Ca -0.06 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 3hgq s VAL 304 Cb 0.09 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 3hgq s VAL 304 CO 0.84 -0.03 1.35 -2.84 0.00 0.00 0.00 175.10 174.42 3hgq s PRO 305 N -3.60 3.35 0.11 2.72 0.02 -1.26 -4.67 135.00 131.66 3hgq s PRO 305 Ca 0.79 2.23 -0.33 0.00 0.02 0.00 0.00 61.00 63.71 3hgq s PRO 305 Cb -0.34 -2.38 -0.12 0.00 0.02 0.00 0.00 34.50 31.68 3hgq s PRO 305 CO 0.42 -1.02 1.76 1.87 -0.33 0.00 0.00 177.00 179.70 3hgq n TRP 306 N -0.75 2.48 0.27 6.54 -0.00 -1.26 -4.87 117.44 119.85 3hgq n TRP 306 Ca 0.09 0.01 0.15 0.00 -0.00 0.00 0.00 57.50 57.75 3hgq n TRP 306 Cb 0.45 -2.66 0.66 0.00 -0.00 0.00 0.00 31.31 29.76 3hgq n TRP 306 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3hgq h PRO 307 N 7.74 0.00 -6.40 5.87 0.11 -1.93 -3.45 132.00 133.93 3hgq h PRO 307 Ca -0.46 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.12 3hgq h PRO 307 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3hgq h PRO 307 CO 0.93 0.06 -0.19 -0.51 -0.21 0.00 0.00 178.00 178.08 3hgq s LEU 308 N -6.41 4.12 0.85 2.35 1.43 -1.26 -5.07 118.68 114.69 3hgq s LEU 308 Ca 0.00 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 3hgq s LEU 308 Cb 0.10 -3.45 0.11 0.00 0.03 0.00 0.00 46.19 42.97 3hgq s LEU 308 CO 0.56 -0.13 1.18 -2.84 0.23 0.00 0.00 176.35 175.35 3hgq s PRO 309 N -3.36 1.41 0.70 1.29 0.02 -1.26 -4.97 135.00 128.83 3hgq s PRO 309 Ca 0.43 1.65 -0.14 0.00 0.02 0.00 0.00 61.00 62.96 3hgq s PRO 309 Cb -0.11 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.67 3hgq s PRO 309 CO 0.28 -2.36 1.12 -0.51 -0.33 0.00 0.00 177.00 175.20 3hgq s ASP 310 N -2.42 4.77 -0.47 2.53 1.01 -1.26 -4.85 116.67 115.99 3hgq s ASP 310 Ca 0.70 2.03 -0.45 0.00 0.71 0.00 0.00 52.55 55.54 3hgq s ASP 310 Cb -0.26 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 40.93 3hgq s ASP 310 CO 0.54 -1.86 1.83 0.00 0.21 0.00 0.00 175.17 175.89 3hgq n ILE 311 N -2.74 0.05 -1.68 0.77 3.06 -1.26 -4.82 119.36 112.74 3hgq n ILE 311 Ca 0.11 -0.02 -0.44 0.00 -2.50 0.00 0.00 62.75 59.89 3hgq n ILE 311 Cb 0.52 -0.65 -0.03 0.00 0.54 0.00 0.00 39.64 40.02 3hgq n ILE 311 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3hgq n TYR 312 N 5.64 2.29 -2.00 9.51 0.53 -1.26 -4.95 117.16 126.91 3hgq n TYR 312 Ca 0.39 0.38 -0.33 0.00 -1.02 0.00 0.00 57.90 57.32 3hgq n TYR 312 Cb -0.02 -2.49 0.02 0.00 -1.03 0.00 0.00 39.34 35.82 3hgq n TYR 312 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 3hgq s PRO 313 N -0.23 3.25 0.02 -0.72 0.02 -1.26 -5.02 135.00 131.06 3hgq s PRO 313 Ca 0.69 1.22 0.07 0.00 0.02 0.00 0.00 61.00 63.00 3hgq s PRO 313 Cb -0.63 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.84 3hgq s PRO 313 CO 0.48 -0.87 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.57 3hgq s LEU 314 N -4.56 2.45 0.52 -5.54 1.43 -1.26 -5.12 118.68 106.60 3hgq s LEU 314 Ca 0.64 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 3hgq s LEU 314 Cb -0.16 -1.45 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 3hgq s LEU 314 CO 0.38 0.28 1.13 -0.54 0.23 0.00 0.00 176.35 177.83 3hgq s LYS 315 N -1.15 3.48 -0.52 1.70 1.02 -1.26 -4.97 119.74 118.04 3hgq s LYS 315 Ca 0.13 1.64 -0.26 0.00 0.02 0.00 0.00 55.97 57.49 3hgq s LYS 315 Cb -0.10 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3hgq s LYS 315 CO 0.03 -0.75 1.03 -0.65 -0.92 0.00 0.00 175.35 174.09 3hgq s GLN 316 N -3.13 3.50 0.39 1.68 -0.21 -1.26 -4.91 119.66 115.71 3hgq s GLN 316 Ca 0.70 0.12 -0.12 0.00 0.02 0.00 0.00 55.36 56.08 3hgq s GLN 316 Cb -0.25 -3.98 -0.07 0.00 1.00 0.00 0.00 33.01 29.71 3hgq s GLN 316 CO 0.28 -1.44 0.77 0.71 -2.12 0.00 0.00 175.29 173.50 3hgq s TYR 317 N 4.22 3.44 0.17 0.91 2.02 -1.26 -5.07 117.35 121.78 3hgq s TYR 317 Ca 0.38 1.11 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 3hgq s TYR 317 Cb -0.10 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 3hgq s TYR 317 CO 0.25 -0.07 0.27 0.99 -1.57 0.00 0.00 175.55 175.42 3hgq s THR 318 N -2.29 5.15 0.00 -0.71 2.01 -1.26 -4.91 115.64 113.64 3hgq s THR 318 Ca 0.52 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3hgq s THR 318 Cb -0.10 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.73 3hgq s THR 318 CO 0.28 -0.14 0.00 -0.24 -0.69 0.00 0.00 174.62 173.82 3hgq n SER 319 N -0.69 0.00 0.00 3.53 2.88 -1.26 -2.19 113.62 115.90 3hgq n SER 319 Ca -0.08 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 3hgq n SER 319 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3hgq n SER 319 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hgq n ASP 321 N 0.71 0.00 -0.12 -3.46 8.00 -1.26 -2.89 116.55 117.53 3hgq n ASP 321 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3hgq n ASP 321 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3hgq n ASP 321 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hgq h VAL 322 N 0.00 1.28 0.12 2.53 2.07 -1.79 -0.60 116.25 119.86 3hgq h VAL 322 Ca 0.00 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.13 3hgq h VAL 322 Cb 0.00 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3hgq h VAL 322 CO 0.00 0.46 -0.12 -0.33 0.02 0.00 0.00 177.57 177.60 3hgq h GLU 323 N 0.63 -0.26 -0.94 1.57 5.08 -1.80 -0.51 114.58 118.36 3hgq h GLU 323 Ca 0.08 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3hgq h GLU 323 Cb 0.81 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 3hgq h GLU 323 CO 0.07 -0.17 0.60 -0.09 -1.00 0.00 0.00 179.01 178.41 3hgq h ARG 324 N -0.27 1.09 -0.31 2.33 2.43 -1.84 -1.49 114.38 116.32 3hgq h ARG 324 Ca 0.01 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3hgq h ARG 324 Cb 0.26 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3hgq h ARG 324 CO -0.04 0.72 0.10 1.03 -1.51 0.00 0.00 179.97 180.28 3hgq h SER 325 N 1.12 0.44 1.13 -3.80 0.87 -0.85 -3.03 113.55 109.44 3hgq h SER 325 Ca 0.39 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3hgq h SER 325 Cb 0.10 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3hgq h SER 325 CO -0.15 0.52 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.53 3hgq h LEU 326 N 0.35 0.00 0.83 2.23 3.38 -0.54 -3.28 115.31 118.28 3hgq h LEU 326 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3hgq h LEU 326 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hgq h LEU 326 CO -0.00 0.07 -0.47 -0.07 0.09 0.00 0.00 178.44 178.06 3hgq h LEU 327 N 0.00 -1.16 0.00 1.67 3.38 -1.16 -3.51 115.31 114.53 3hgq h LEU 327 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hgq h LEU 327 Cb 0.66 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hgq h LEU 327 CO 0.01 -0.74 0.00 0.35 0.09 0.00 0.00 178.44 178.15