#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgg h PRO 7 N 0.00 0.82 -0.41 -2.82 0.11 -2.06 -2.25 132.00 125.40 3hgg h PRO 7 Ca 0.00 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3hgg h PRO 7 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3hgg h PRO 7 CO 0.00 0.59 -0.04 0.77 -0.21 0.00 0.00 178.00 179.11 3hgg h SER 8 N 0.84 0.74 -0.89 -2.05 0.02 -2.05 -2.32 113.55 107.83 3hgg h SER 8 Ca 0.22 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3hgg h SER 8 Cb -0.02 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 3hgg h SER 8 CO -0.04 0.89 0.59 1.56 -1.14 0.00 0.00 176.83 178.69 3hgg h GLN 9 N 0.57 1.16 -0.31 3.45 4.20 -1.95 -1.52 115.11 120.70 3hgg h GLN 9 Ca 0.11 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3hgg h GLN 9 Cb 0.54 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3hgg h GLN 9 CO 0.03 0.77 -0.01 0.87 -0.67 0.00 0.00 178.83 179.82 3hgg h LYS 10 N 1.19 0.47 0.05 1.46 1.57 -1.21 0.87 116.57 120.97 3hgg h LYS 10 Ca 0.33 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3hgg h LYS 10 Cb -0.12 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3hgg h LYS 10 CO -0.08 0.51 -0.02 0.28 -0.57 0.00 0.00 179.45 179.57 3hgg h VAL 11 N 0.46 1.30 -0.69 0.50 2.07 -0.85 -1.24 116.25 117.80 3hgg h VAL 11 Ca 0.10 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.52 3hgg h VAL 11 Cb 0.31 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 3hgg h VAL 11 CO 0.01 0.30 0.31 -0.07 0.02 0.00 0.00 177.57 178.14 3hgg h LEU 12 N -0.60 0.36 -0.69 2.57 3.38 -1.09 0.11 115.31 119.34 3hgg h LEU 12 Ca -0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hgg h LEU 12 Cb 0.54 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hgg h LEU 12 CO 0.01 0.19 0.40 0.00 0.09 0.00 0.00 178.44 179.13 3hgg h ALA 13 N 1.45 0.89 -0.78 1.53 0.00 -0.72 0.68 119.26 122.31 3hgg h ALA 13 Ca 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hgg h ALA 13 Cb 0.43 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hgg h ALA 13 CO -0.31 0.38 0.35 -0.09 0.00 0.00 0.00 179.25 179.58 3hgg h ARG 14 N 0.95 1.13 -0.38 0.00 2.43 -0.51 -1.82 114.38 116.17 3hgg h ARG 14 Ca 0.25 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3hgg h ARG 14 Cb 0.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3hgg h ARG 14 CO -0.04 0.88 -0.08 1.96 -1.51 0.00 0.00 179.97 181.18 3hgg h GLN 15 N 1.11 0.73 0.00 0.20 4.20 -0.21 -2.14 115.11 119.01 3hgg h GLN 15 Ca 0.27 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3hgg h GLN 15 Cb 0.14 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3hgg h GLN 15 CO -0.03 0.86 -0.05 0.93 -0.67 0.00 0.00 178.83 179.87 3hgg h GLU 16 N 0.54 0.00 -0.06 1.46 4.39 -0.58 -2.33 114.58 118.00 3hgg h GLU 16 Ca 0.10 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3hgg h GLU 16 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3hgg h GLU 16 CO 0.03 0.05 -0.33 -0.22 -1.16 0.00 0.00 179.01 177.38 3hgg h LYS 17 N 0.00 0.33 -0.53 2.33 1.63 -0.77 -2.41 116.57 117.15 3hgg h LYS 17 Ca -0.00 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 3hgg h LYS 17 Cb 0.25 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3hgg h LYS 17 CO 0.01 0.93 0.25 0.82 -3.45 0.00 0.00 179.45 178.00 3hgg h ILE 18 N -0.19 1.20 -0.22 2.00 1.08 -1.06 -1.91 117.51 118.41 3hgg h ILE 18 Ca -0.03 -0.56 -0.14 0.00 -0.39 0.00 0.00 64.86 63.74 3hgg h ILE 18 Cb 1.00 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 3hgg h ILE 18 CO 0.07 0.22 -0.44 0.11 -0.69 0.00 0.00 178.15 177.42 3hgg h LYS 19 N 0.70 0.54 -0.32 2.37 1.57 -1.51 0.22 116.57 120.14 3hgg h LYS 19 Ca 0.18 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 3hgg h LYS 19 Cb 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hgg h LYS 19 CO -0.02 0.88 -0.28 0.00 -0.57 0.00 0.00 179.45 179.45 3hgg h ALA 20 N 1.08 0.91 0.16 3.86 0.00 -1.22 0.21 119.26 124.26 3hgg h ALA 20 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hgg h ALA 20 Cb 0.95 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hgg h ALA 20 CO 0.08 0.62 -0.08 0.28 0.00 0.00 0.00 179.25 180.16 3hgg h VAL 21 N 0.57 0.97 -0.40 0.00 2.07 -1.11 -1.94 116.25 116.41 3hgg h VAL 21 Ca 0.07 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.01 3hgg h VAL 21 Cb 0.77 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3hgg h VAL 21 CO 0.06 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.81 3hgg h ALA 22 N 0.25 0.37 -0.31 1.67 0.00 -0.75 -1.02 119.26 119.46 3hgg h ALA 22 Ca -0.02 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hgg h ALA 22 Cb 0.41 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3hgg h ALA 22 CO 0.04 -0.39 0.08 1.25 0.00 0.00 0.00 179.25 180.23 3hgg h LEU 23 N 0.12 0.05 -1.26 0.00 5.85 -0.58 0.06 115.31 119.55 3hgg h LEU 23 Ca 0.20 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3hgg h LEU 23 Cb 0.27 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3hgg h LEU 23 CO -0.32 0.07 0.30 -0.08 -0.34 0.00 0.00 178.44 178.07 3hgg h GLU 24 N 0.20 0.81 0.14 1.25 4.81 -0.59 -0.98 114.58 120.23 3hgg h GLU 24 Ca 0.14 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3hgg h GLU 24 Cb 0.14 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3hgg h GLU 24 CO -0.17 0.61 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.58 3hgg h LEU 25 N 0.82 -0.16 -0.81 1.64 3.38 -0.74 0.25 115.31 119.69 3hgg h LEU 25 Ca 0.21 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.10 3hgg h LEU 25 Cb 0.05 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 3hgg h LEU 25 CO -0.03 0.16 0.33 -0.26 0.09 0.00 0.00 178.44 178.73 3hgg h PHE 26 N -0.50 0.56 -0.02 1.13 0.04 -0.62 0.54 116.94 118.07 3hgg h PHE 26 Ca -0.02 0.04 -0.22 0.00 2.80 0.00 0.00 57.97 60.56 3hgg h PHE 26 Cb 0.39 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3hgg h PHE 26 CO 0.03 0.03 -0.91 -0.07 -0.60 0.00 0.00 178.31 176.78 3hgg h LEU 27 N 0.44 0.60 0.05 1.54 4.07 -1.10 -2.55 115.31 118.36 3hgg h LEU 27 Ca 0.47 -0.46 -0.31 0.00 0.08 0.00 0.00 57.88 57.65 3hgg h LEU 27 Cb 0.77 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 3hgg h LEU 27 CO -0.45 1.25 -1.70 1.07 -1.08 0.00 0.00 178.44 177.53 3hgg n THR 28 N -3.79 1.63 -0.03 0.22 5.66 0.86 -4.54 114.28 114.28 3hgg n THR 28 Ca -0.07 -0.32 0.04 0.00 -3.05 0.00 0.00 64.05 60.65 3hgg n THR 28 Cb 0.82 -1.88 -0.15 0.00 -1.55 0.00 0.00 70.33 67.56 3hgg n THR 28 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3hgg n LYS 29 N -4.00 0.73 0.00 1.09 4.81 0.18 -5.05 118.16 115.92 3hgg n LYS 29 Ca -0.35 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 56.97 3hgg n LYS 29 Cb 0.85 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.44 3hgg n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hgg n GLY 30 N 1.55 2.53 0.05 3.14 0.00 -0.76 -4.54 105.19 107.15 3hgg n GLY 30 Ca -0.12 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 3hgg n GLY 30 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hgg h TYR 31 N 0.00 0.02 -0.02 1.61 3.20 -1.81 -2.44 116.97 117.54 3hgg h TYR 31 Ca 0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3hgg h TYR 31 Cb 0.00 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3hgg h TYR 31 CO 0.00 0.07 -0.45 1.96 -1.64 0.00 0.00 178.16 178.10 3hgg h GLN 32 N -0.03 0.04 0.00 1.82 1.08 -1.93 -2.90 115.11 113.20 3hgg h GLN 32 Ca 0.01 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 3hgg h GLN 32 Cb 0.05 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3hgg h GLN 32 CO -0.00 0.49 -0.40 0.93 -0.95 0.00 0.00 178.83 178.90 3hgg h GLU 33 N 0.04 0.00 -5.47 1.46 3.07 -1.76 -3.44 114.58 108.47 3hgg h GLU 33 Ca -0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 3hgg h GLU 33 Cb 0.82 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.62 3hgg h GLU 33 CO 0.06 0.40 -0.14 0.99 -1.40 0.00 0.00 179.01 178.91 3hgg s THR 34 N -3.49 5.17 0.28 1.13 2.01 -0.93 -5.00 115.64 114.81 3hgg s THR 34 Ca 0.01 0.80 0.06 0.00 0.31 0.00 0.00 61.69 62.87 3hgg s THR 34 Cb 0.10 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3hgg s THR 34 CO 0.69 0.23 0.39 -0.94 -0.69 0.00 0.00 174.62 174.31 3hgg s SER 35 N 1.07 6.07 0.27 3.53 1.04 -1.26 -4.96 113.70 119.46 3hgg s SER 35 Ca 0.21 -0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 3hgg s SER 35 Cb -0.15 -1.52 0.61 0.00 0.10 0.00 0.00 66.02 65.05 3hgg s SER 35 CO 0.09 -0.23 1.69 0.25 0.98 0.00 0.00 173.24 176.01 3hgg h LEU 36 N 1.08 0.17 -1.31 2.42 5.85 -1.97 0.98 115.31 122.52 3hgg h LEU 36 Ca -0.49 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3hgg h LEU 36 Cb 1.24 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 3hgg h LEU 36 CO 0.57 -0.02 0.48 0.77 -0.34 0.00 0.00 178.44 179.91 3hgg h SER 37 N 0.34 0.78 -0.87 1.25 4.64 -1.98 0.41 113.55 118.12 3hgg h SER 37 Ca 0.50 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.85 3hgg h SER 37 Cb 0.90 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 3hgg h SER 37 CO -0.53 0.54 0.55 0.44 -0.87 0.00 0.00 176.83 176.97 3hgg h ASP 38 N 0.91 0.90 -0.30 4.97 5.19 -1.20 0.79 116.42 127.68 3hgg h ASP 38 Ca 0.29 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.63 3hgg h ASP 38 Cb 0.02 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3hgg h ASP 38 CO -0.08 0.60 -0.08 0.40 -3.12 0.00 0.00 179.24 176.97 3hgg h ILE 39 N 1.05 1.28 -0.67 0.35 2.04 -0.12 -2.86 117.51 118.58 3hgg h ILE 39 Ca 0.36 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3hgg h ILE 39 Cb 0.08 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3hgg h ILE 39 CO -0.14 0.36 0.16 0.40 0.00 0.00 0.00 178.15 178.92 3hgg h ILE 40 N 0.34 1.26 -0.28 -0.67 2.04 0.15 -1.79 117.51 118.56 3hgg h ILE 40 Ca 0.07 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3hgg h ILE 40 Cb 0.56 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3hgg h ILE 40 CO 0.03 0.36 0.14 0.50 0.00 0.00 0.00 178.15 179.18 3hgg h LYS 41 N 1.01 0.40 0.00 2.37 3.64 -0.79 -2.05 116.57 121.15 3hgg h LYS 41 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3hgg h LYS 41 Cb 0.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hgg h LYS 41 CO 0.00 0.38 0.00 -0.07 -2.27 0.00 0.00 179.45 177.50 3hgg h LEU 42 N 0.32 0.00 0.00 5.20 4.07 -1.49 -2.47 115.31 120.93 3hgg h LEU 42 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3hgg h LEU 42 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3hgg h LEU 42 CO -0.01 0.00 -0.13 -1.20 -1.08 0.00 0.00 178.44 176.01 3hgg n SER 43 N -2.32 0.55 0.00 -0.43 7.64 -0.68 -4.99 113.62 113.40 3hgg n SER 43 Ca 0.05 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.36 3hgg n SER 43 Cb 0.43 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3hgg n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hgg n GLY 44 N 1.38 2.90 0.08 0.23 0.00 -0.80 -1.61 105.19 107.38 3hgg n GLY 44 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3hgg n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgg n GLY 45 N 0.00 -0.53 0.91 -0.02 0.00 -1.26 -3.25 105.19 101.04 3hgg n GLY 45 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3hgg n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hgg n SER 46 N -0.41 2.77 0.00 1.61 7.64 -0.63 -4.64 113.62 119.95 3hgg n SER 46 Ca 0.00 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.99 3hgg n SER 46 Cb 0.04 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3hgg n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hgg n TYR 47 N 1.07 0.00 0.00 1.43 9.36 -1.20 -4.83 117.16 122.99 3hgg n TYR 47 Ca 0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.39 3hgg n TYR 47 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 3hgg n TYR 47 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3hgg n SER 48 N -1.68 0.00 -4.20 2.98 7.64 -1.26 -3.41 113.62 113.68 3hgg n SER 48 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3hgg n SER 48 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 3hgg n SER 48 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3hgg s ASN 49 N -4.00 4.81 -0.20 6.43 -0.87 -1.26 -5.00 114.94 114.85 3hgg s ASN 49 Ca 0.00 -1.13 -0.06 0.00 -1.57 0.00 0.00 52.86 50.10 3hgg s ASN 49 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.25 39.47 3hgg s ASN 49 CO 0.00 -0.23 0.04 -0.63 -2.57 0.00 0.00 177.10 173.71 3hgg s ILE 50 N 1.30 4.34 0.00 0.60 -1.09 -1.22 -4.99 121.20 120.14 3hgg s ILE 50 Ca -0.03 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3hgg s ILE 50 Cb -0.19 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 3hgg s ILE 50 CO -0.01 0.42 0.29 0.00 -1.23 0.00 0.00 174.94 174.41 3hgg n TYR 51 N 4.10 0.00 -0.11 3.97 4.11 -1.26 -4.48 117.16 123.49 3hgg n TYR 51 Ca -0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.64 3hgg n TYR 51 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.84 3hgg n TYR 51 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 3hgg h ASP 52 N 0.00 0.48 0.00 9.48 -0.00 -2.00 -2.15 116.42 122.23 3hgg h ASP 52 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 3hgg h ASP 52 Cb 0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.39 3hgg h ASP 52 CO 0.00 0.51 0.00 0.61 -0.00 0.00 0.00 179.24 180.36 3hgg n GLY 53 N -0.76 2.20 1.32 7.15 0.00 -1.26 -4.68 105.19 109.15 3hgg n GLY 53 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3hgg n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hgg n PHE 54 N -0.41 1.41 0.09 1.61 3.01 -1.07 -2.27 117.46 119.83 3hgg n PHE 54 Ca 0.00 -0.79 0.00 0.00 1.01 0.00 0.00 57.45 57.67 3hgg n PHE 54 Cb 0.21 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.27 3hgg n PHE 54 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3hgg h LYS 55 N 2.82 0.00 -4.65 -1.08 1.79 -1.62 -3.40 116.57 110.43 3hgg h LYS 55 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 3hgg h LYS 55 Cb 1.63 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 32.13 3hgg h LYS 55 CO 0.32 0.51 -0.66 -1.54 -1.08 0.00 0.00 179.45 177.00 3hgg s SER 56 N -6.29 0.93 0.50 0.86 1.04 -1.26 -5.02 113.70 104.45 3hgg s SER 56 Ca 0.01 -1.15 0.22 0.00 0.48 0.00 0.00 55.95 55.52 3hgg s SER 56 Cb 0.08 0.16 1.29 0.00 0.10 0.00 0.00 66.02 67.66 3hgg s SER 56 CO 0.78 -0.60 2.05 0.50 0.98 0.00 0.00 173.24 176.95 3hgg h LYS 57 N 2.80 0.00 -0.48 4.02 3.64 -1.92 -2.35 116.57 122.28 3hgg h LYS 57 Ca -0.36 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 3hgg h LYS 57 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3hgg h LYS 57 CO 0.62 0.14 0.07 0.93 -2.27 0.00 0.00 179.45 178.95 3hgg h GLU 58 N 0.00 0.80 -0.56 1.90 3.07 -1.95 -1.90 114.58 115.93 3hgg h GLU 58 Ca -0.00 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.58 3hgg h GLU 58 Cb 0.32 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3hgg h GLU 58 CO 0.02 0.81 0.11 0.78 -1.40 0.00 0.00 179.01 179.32 3hgg h GLY 59 N 0.67 0.96 0.94 -3.84 0.00 -1.60 -2.43 103.07 97.77 3hgg h GLY 59 Ca 0.15 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 3hgg h GLY 59 CO 0.01 0.55 -0.03 1.41 0.00 0.00 0.00 176.54 178.47 3hgg h LEU 60 N 0.85 0.69 -0.64 3.11 3.38 -1.02 0.84 115.31 122.52 3hgg h LEU 60 Ca 0.18 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hgg h LEU 60 Cb 0.35 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hgg h LEU 60 CO 0.00 0.85 0.35 0.15 0.09 0.00 0.00 178.44 179.89 3hgg h PHE 61 N 0.51 0.64 -0.01 1.13 3.57 -1.20 0.74 116.94 122.31 3hgg h PHE 61 Ca 0.10 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 3hgg h PHE 61 Cb 0.52 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3hgg h PHE 61 CO 0.04 0.30 -0.74 0.74 -2.23 0.00 0.00 178.31 176.43 3hgg h PHE 62 N 0.65 0.15 -0.90 0.41 -1.00 -1.08 0.17 116.94 115.34 3hgg h PHE 62 Ca 0.29 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3hgg h PHE 62 Cb 0.19 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 3hgg h PHE 62 CO -0.09 0.81 0.58 0.93 -1.61 0.00 0.00 178.31 178.93 3hgg h GLU 63 N 0.07 1.20 -0.18 1.51 4.39 -0.42 0.27 114.58 121.41 3hgg h GLU 63 Ca -0.02 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 3hgg h GLU 63 Cb 1.30 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3hgg h GLU 63 CO 0.11 0.80 -0.12 0.82 -1.16 0.00 0.00 179.01 179.45 3hgg h ILE 64 N 1.23 1.32 -0.65 3.13 2.04 -0.32 -3.00 117.51 121.26 3hgg h ILE 64 Ca 0.33 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3hgg h ILE 64 Cb -0.12 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3hgg h ILE 64 CO -0.07 0.37 0.38 0.25 0.00 0.00 0.00 178.15 179.08 3hgg h LEU 65 N 0.08 0.77 -0.31 1.44 5.85 -0.38 -1.80 115.31 120.96 3hgg h LEU 65 Ca 0.04 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3hgg h LEU 65 Cb 0.63 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3hgg h LEU 65 CO 0.03 0.60 -0.48 0.44 -0.34 0.00 0.00 178.44 178.70 3hgg h ASP 66 N 0.89 -1.57 -0.83 1.25 3.32 -0.38 0.57 116.42 119.66 3hgg h ASP 66 Ca 0.23 0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.58 3hgg h ASP 66 Cb -0.02 0.65 -0.07 0.00 0.22 0.00 0.00 39.33 40.11 3hgg h ASP 66 CO -0.04 -0.41 0.49 0.44 -1.72 0.00 0.00 179.24 178.00 3hgg h ASP 67 N -0.42 0.73 -0.45 6.45 3.32 -1.22 0.41 116.42 125.25 3hgg h ASP 67 Ca 0.09 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3hgg h ASP 67 Cb 0.61 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3hgg h ASP 67 CO -0.53 0.44 -0.03 0.40 -1.72 0.00 0.00 179.24 177.81 3hgg h ILE 68 N 0.86 1.27 -0.17 0.35 2.04 -0.80 -0.89 117.51 120.16 3hgg h ILE 68 Ca 0.39 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.04 3hgg h ILE 68 Cb 0.29 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3hgg h ILE 68 CO -0.22 0.37 -0.40 0.00 0.00 0.00 0.00 178.15 177.91 3hgg h LYS 70 N 0.32 -0.26 -0.17 0.00 1.57 -0.49 -2.20 116.57 115.34 3hgg h LYS 70 Ca 0.03 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3hgg h LYS 70 Cb 0.85 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3hgg h LYS 70 CO 0.07 -0.17 -0.16 0.87 -0.57 0.00 0.00 179.45 179.49 3hgg h LYS 71 N -0.27 0.28 -0.29 3.15 1.57 -0.91 -2.89 116.57 117.22 3hgg h LYS 71 Ca 0.06 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3hgg h LYS 71 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hgg h LYS 71 CO -0.17 0.44 0.07 0.45 -0.57 0.00 0.00 179.45 179.67 3hgg h HIS 72 N 0.26 0.49 0.72 -1.35 3.86 -0.94 -2.89 115.15 115.30 3hgg h HIS 72 Ca 0.05 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3hgg h HIS 72 Cb 0.44 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.78 3hgg h HIS 72 CO 0.01 0.54 -0.34 0.35 0.86 0.00 0.00 177.93 179.34 3hgg h PHE 73 N 0.30 -0.89 -0.81 2.45 3.57 -1.20 -2.12 116.94 118.25 3hgg h PHE 73 Ca 0.09 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.77 3hgg h PHE 73 Cb 0.29 0.29 -0.13 0.00 2.79 0.00 0.00 35.95 39.20 3hgg h PHE 73 CO 0.01 -0.55 0.16 0.45 -2.23 0.00 0.00 178.31 176.15 3hgg h HIS 74 N -1.03 0.22 -0.70 0.41 3.86 -1.64 0.48 115.15 116.75 3hgg h HIS 74 Ca -0.10 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 3hgg h HIS 74 Cb 0.74 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.21 3hgg h HIS 74 CO 0.05 -0.19 0.21 1.25 0.86 0.00 0.00 177.93 180.11 3hgg h LEU 75 N 0.20 1.01 -0.09 2.43 6.46 -1.45 0.06 115.31 123.93 3hgg h LEU 75 Ca 0.48 -0.19 -0.24 0.00 -0.12 0.00 0.00 57.88 57.81 3hgg h LEU 75 Cb 0.90 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.57 3hgg h LEU 75 CO -0.62 0.95 -1.03 0.40 -0.62 0.00 0.00 178.44 177.52 3hgg h ILE 76 N 1.04 1.40 -0.11 4.05 2.04 -0.51 -3.19 117.51 122.23 3hgg h ILE 76 Ca 0.23 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.52 3hgg h ILE 76 Cb 0.30 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3hgg h ILE 76 CO -0.01 0.76 -0.05 0.22 0.00 0.00 0.00 178.15 179.07 3hgg h TYR 77 N 0.22 0.17 0.06 1.37 5.03 0.41 -2.94 116.97 121.28 3hgg h TYR 77 Ca -0.10 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.20 3hgg h TYR 77 Cb 1.68 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.91 3hgg h TYR 77 CO 0.07 0.23 -0.03 1.03 -1.32 0.00 0.00 178.16 178.14 3hgg h SER 78 N 0.16 -0.07 -0.01 -2.11 0.87 -0.98 1.16 113.55 112.57 3hgg h SER 78 Ca 0.04 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3hgg h SER 78 Cb 0.20 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3hgg h SER 78 CO 0.01 0.44 0.05 0.11 -0.53 0.00 0.00 176.83 176.91 3hgg h LYS 79 N -0.59 0.00 0.00 2.24 1.79 -1.56 -2.74 116.57 115.71 3hgg h LYS 79 Ca -0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3hgg h LYS 79 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3hgg h LYS 79 CO 0.01 0.00 -0.63 2.41 -1.08 0.00 0.00 179.45 180.16 3hgg n THR 80 N -3.25 1.43 -0.24 -0.16 -1.04 -1.09 -4.50 114.28 105.44 3hgg n THR 80 Ca -0.03 0.18 0.02 0.00 -2.04 0.00 0.00 64.05 62.19 3hgg n THR 80 Cb 0.12 -2.34 0.11 0.00 -1.82 0.00 0.00 70.33 66.40 3hgg n THR 80 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3hgg h GLN 81 N -1.00 0.04 -4.55 -2.82 5.75 0.16 -2.87 115.11 109.82 3hgg h GLN 81 Ca -0.05 -0.00 -0.74 0.00 -0.15 0.00 0.00 58.65 57.71 3hgg h GLN 81 Cb 0.63 -0.01 -0.17 0.00 1.07 0.00 0.00 27.48 29.00 3hgg h GLN 81 CO -0.03 0.03 1.51 0.39 -2.65 0.00 0.00 178.83 178.07 3hgg n GLU 82 N -5.41 3.41 -4.20 1.69 -0.58 -1.05 -4.90 120.64 109.60 3hgg n GLU 82 Ca 0.11 -3.78 -0.16 0.00 -0.42 0.00 0.00 57.16 52.91 3hgg n GLU 82 Cb 0.40 -3.03 -0.13 0.00 -0.57 0.00 0.00 31.44 28.11 3hgg n GLU 82 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3hgg s ILE 83 N 1.42 0.66 -0.67 -3.67 1.10 -1.09 -4.92 121.20 114.03 3hgg s ILE 83 Ca 0.43 -0.69 -0.23 0.00 -0.51 0.00 0.00 60.65 59.64 3hgg s ILE 83 Cb -0.00 -0.62 0.07 0.00 0.15 0.00 0.00 42.46 42.06 3hgg s ILE 83 CO 0.00 -0.05 0.99 -1.59 -2.11 0.00 0.00 174.94 172.19 3hgg s LYS 84 N -0.83 3.12 -0.63 3.50 0.00 -1.26 -4.48 119.74 119.16 3hgg s LYS 84 Ca -0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 55.97 55.09 3hgg s LYS 84 Cb -0.06 -4.23 0.01 0.00 0.00 0.00 0.00 37.83 33.55 3hgg s LYS 84 CO 0.00 -1.85 0.14 0.09 0.00 0.00 0.00 175.35 173.73 3hgg n ASN 85 N 7.85 -0.59 -4.77 0.03 4.13 -1.26 -4.78 115.26 115.88 3hgg n ASN 85 Ca -0.03 -0.58 -0.34 0.00 1.68 0.00 0.00 54.58 55.31 3hgg n ASN 85 Cb 0.46 -0.71 0.03 0.00 -1.54 0.00 0.00 39.78 38.01 3hgg n ASN 85 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3hgg s GLY 86 N -3.95 2.38 1.12 7.41 0.00 -1.26 -5.02 107.32 107.99 3hgg s GLY 86 Ca 0.10 0.68 -0.13 0.00 0.00 0.00 0.00 44.72 45.36 3hgg s GLY 86 CO 0.44 1.03 1.05 -0.51 0.00 0.00 0.00 173.10 175.12 3hgg s THR 87 N -2.08 1.96 0.15 0.90 -4.23 -1.26 -4.79 115.64 106.29 3hgg s THR 87 Ca 0.70 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.04 3hgg s THR 87 Cb -0.22 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3hgg s THR 87 CO 0.35 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.49 3hgg h LEU 88 N -2.38 0.45 -0.73 4.79 5.85 -1.99 -2.39 115.31 118.91 3hgg h LEU 88 Ca -0.58 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.29 3hgg h LEU 88 Cb 1.34 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 3hgg h LEU 88 CO 0.53 0.33 0.07 0.50 -0.34 0.00 0.00 178.44 179.52 3hgg h LYS 89 N 0.53 0.15 -0.15 1.25 3.64 -1.97 0.13 116.57 120.16 3hgg h LYS 89 Ca 0.14 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.31 3hgg h LYS 89 Cb -0.06 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3hgg h LYS 89 CO -0.03 0.10 -0.74 0.93 -2.27 0.00 0.00 179.45 177.44 3hgg h GLU 90 N 0.16 0.70 0.00 1.90 5.08 -1.81 -0.25 114.58 120.36 3hgg h GLU 90 Ca 0.41 -0.56 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 3hgg h GLU 90 Cb 0.71 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3hgg h GLU 90 CO -0.60 1.18 -0.74 -0.84 -1.00 0.00 0.00 179.01 177.01 3hgg h ILE 91 N 0.49 1.52 -0.34 3.13 -0.00 -1.21 -0.60 117.51 120.50 3hgg h ILE 91 Ca -0.04 -2.53 -0.09 0.00 -0.00 0.00 0.00 64.86 62.20 3hgg h ILE 91 Cb 1.36 2.37 -0.01 0.00 -0.00 0.00 0.00 36.82 40.53 3hgg h ILE 91 CO 0.15 0.72 -0.14 -0.07 -0.00 0.00 0.00 178.15 178.81 3hgg h LEU 92 N 0.00 0.71 0.00 0.16 4.07 -0.59 -0.88 115.31 118.78 3hgg h LEU 92 Ca -0.01 -0.40 -0.06 0.00 0.08 0.00 0.00 57.88 57.50 3hgg h LEU 92 Cb 1.31 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 3hgg h LEU 92 CO 0.10 0.95 -0.37 0.71 -1.08 0.00 0.00 178.44 178.74 3hgg h THR 93 N 0.47 0.44 0.68 0.22 1.35 -1.00 -1.72 112.91 113.35 3hgg h THR 93 Ca 0.08 -1.64 -0.03 0.00 -0.55 0.00 0.00 66.41 64.26 3hgg h THR 93 Cb 0.67 2.18 0.01 0.00 -1.73 0.00 0.00 68.15 69.28 3hgg h THR 93 CO 0.05 0.25 -0.33 -1.28 -0.25 0.00 0.00 175.52 173.96 3hgg h SER 94 N 0.00 -0.78 -0.32 5.36 0.87 -1.01 -2.28 113.55 115.39 3hgg h SER 94 Ca -0.01 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3hgg h SER 94 Cb 1.22 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 63.30 3hgg h SER 94 CO 0.03 -0.41 -0.17 0.15 -0.53 0.00 0.00 176.83 175.90 3hgg h PHE 95 N -1.20 -0.43 -0.53 2.24 3.57 -1.21 -2.78 116.94 116.60 3hgg h PHE 95 Ca -0.09 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.52 3hgg h PHE 95 Cb 0.72 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 3hgg h PHE 95 CO 0.00 -0.25 -0.47 0.78 -2.23 0.00 0.00 178.31 176.14 3hgg h GLY 96 N -0.13 -0.62 0.44 2.40 0.00 -1.35 0.22 103.07 104.03 3hgg h GLY 96 Ca 0.16 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.17 3hgg h GLY 96 CO -0.40 -0.15 0.01 1.41 0.00 0.00 0.00 176.54 177.41 3hgg h LEU 97 N -0.27 -0.13 -0.72 3.11 3.38 -1.17 0.24 115.31 119.74 3hgg h LEU 97 Ca 0.15 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3hgg h LEU 97 Cb 0.57 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3hgg h LEU 97 CO -0.66 -0.03 0.15 0.00 0.09 0.00 0.00 178.44 177.99 3hgg h ALA 98 N 1.31 0.95 0.42 1.53 0.00 -1.17 -1.39 119.26 120.90 3hgg h ALA 98 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hgg h ALA 98 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hgg h ALA 98 CO -0.29 0.67 -0.20 0.35 0.00 0.00 0.00 179.25 179.78 3hgg h PHE 99 N 1.06 -0.52 -0.58 0.00 3.57 0.15 -2.73 116.94 117.90 3hgg h PHE 99 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3hgg h PHE 99 Cb 0.40 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3hgg h PHE 99 CO 0.03 -0.21 0.18 0.97 -2.23 0.00 0.00 178.31 177.05 3hgg h ILE 100 N -0.80 1.22 -0.80 1.41 2.10 -0.57 -2.02 117.51 118.06 3hgg h ILE 100 Ca -0.06 -0.75 -0.02 0.00 1.08 0.00 0.00 64.86 65.11 3hgg h ILE 100 Cb 0.54 0.58 -0.04 0.00 -1.09 0.00 0.00 36.82 36.82 3hgg h ILE 100 CO 0.09 0.29 0.41 -0.08 -1.08 0.00 0.00 178.15 177.78 3hgg h GLU 101 N 0.84 1.13 -0.78 2.19 4.81 -1.28 -2.38 114.58 119.11 3hgg h GLU 101 Ca 0.19 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hgg h GLU 101 Cb 0.24 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3hgg h GLU 101 CO -0.01 0.85 0.48 0.82 -0.73 0.00 0.00 179.01 180.42 3hgg h ILE 102 N 1.13 1.21 -0.01 2.32 2.04 -1.04 -2.81 117.51 120.34 3hgg h ILE 102 Ca 0.28 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hgg h ILE 102 Cb 0.08 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3hgg h ILE 102 CO -0.04 0.22 -0.02 0.49 0.00 0.00 0.00 178.15 178.80 3hgg n PHE 103 N -4.39 0.00 -1.54 1.37 3.01 -0.94 -3.36 117.46 111.61 3hgg n PHE 103 Ca 0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 3hgg n PHE 103 Cb 0.05 -0.01 0.12 0.00 -0.01 0.00 0.00 39.48 39.63 3hgg n PHE 103 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hgg n ASN 104 N 0.12 4.76 -4.61 4.37 3.02 -0.96 -4.76 115.26 117.20 3hgg n ASN 104 Ca 0.19 -3.76 -0.34 0.00 -0.03 0.00 0.00 54.58 50.64 3hgg n ASN 104 Cb 0.35 -0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 3hgg n ASN 104 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hgg s GLN 105 N -3.52 2.77 0.65 3.52 -1.52 -1.21 -4.82 119.66 115.52 3hgg s GLN 105 Ca 0.54 -0.55 0.32 0.00 -1.95 0.00 0.00 55.36 53.72 3hgg s GLN 105 Cb 0.45 -2.62 1.75 0.00 -0.22 0.00 0.00 33.01 32.37 3hgg s GLN 105 CO 0.02 0.66 2.02 -1.35 -0.25 0.00 0.00 175.29 176.39 3hgg h PRO 106 N 5.02 0.00 -0.25 2.91 0.11 -1.92 -1.06 132.00 136.81 3hgg h PRO 106 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3hgg h PRO 106 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hgg h PRO 106 CO 0.53 0.00 -0.19 0.93 -0.21 0.00 0.00 178.00 179.06 3hgg h GLU 107 N 0.00 0.57 -0.62 1.05 3.07 -1.94 -0.28 114.58 116.44 3hgg h GLU 107 Ca 0.04 -0.28 0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3hgg h GLU 107 Cb 0.59 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.41 3hgg h GLU 107 CO -0.00 0.86 0.12 0.00 -1.40 0.00 0.00 179.01 178.59 3hgg h ALA 108 N 0.70 0.73 -0.38 3.43 0.00 -1.43 -1.82 119.26 120.49 3hgg h ALA 108 Ca 0.05 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hgg h ALA 108 Cb 0.73 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hgg h ALA 108 CO 0.05 -0.32 -0.11 0.28 0.00 0.00 0.00 179.25 179.15 3hgg h VAL 109 N 0.24 1.28 -0.31 0.00 2.07 -1.49 0.22 116.25 118.26 3hgg h VAL 109 Ca 0.33 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 3hgg h VAL 109 Cb 0.51 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3hgg h VAL 109 CO -0.43 0.40 -0.10 0.00 0.02 0.00 0.00 177.57 177.45 3hgg h ALA 110 N 0.82 1.25 0.16 1.67 0.00 -0.56 -0.20 119.26 122.40 3hgg h ALA 110 Ca 0.09 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 3hgg h ALA 110 Cb 0.63 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hgg h ALA 110 CO 0.04 0.49 -1.30 0.74 0.00 0.00 0.00 179.25 179.22 3hgg h PHE 111 N 0.48 0.63 -0.61 0.00 -1.00 -1.36 -3.13 116.94 111.96 3hgg h PHE 111 Ca 0.09 -0.46 0.13 0.00 2.81 0.00 0.00 57.97 60.54 3hgg h PHE 111 Cb 0.47 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.90 3hgg h PHE 111 CO 0.02 1.36 -0.00 0.78 -1.61 0.00 0.00 178.31 178.85 3hgg h GLY 112 N 1.20 0.64 1.38 -1.45 0.00 -0.61 -1.33 103.07 102.89 3hgg h GLY 112 Ca -0.17 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3hgg h GLY 112 CO 0.22 -0.20 0.16 0.50 0.00 0.00 0.00 176.54 177.23 3hgg h LYS 113 N 0.11 0.79 -0.36 4.80 1.57 -1.06 -1.76 116.57 120.67 3hgg h LYS 113 Ca 0.32 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3hgg h LYS 113 Cb 0.51 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hgg h LYS 113 CO -0.52 0.69 0.01 0.82 -0.57 0.00 0.00 179.45 179.88 3hgg h ILE 114 N 0.77 1.25 0.77 1.86 2.04 -1.26 -2.14 117.51 120.80 3hgg h ILE 114 Ca 0.18 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 3hgg h ILE 114 Cb 0.24 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3hgg h ILE 114 CO -0.01 0.32 -0.37 0.40 0.00 0.00 0.00 178.15 178.49 3hgg h ILE 115 N 0.44 0.21 -1.10 -0.67 2.04 -1.08 -2.91 117.51 114.43 3hgg h ILE 115 Ca 0.10 -0.07 0.30 0.00 1.00 0.00 0.00 64.86 66.19 3hgg h ILE 115 Cb 0.44 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 3hgg h ILE 115 CO 0.02 0.01 0.72 1.88 0.00 0.00 0.00 178.15 180.77 3hgg h TYR 116 N -1.09 0.58 0.00 1.37 0.99 -1.35 -0.45 116.97 117.02 3hgg h TYR 116 Ca -0.11 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3hgg h TYR 116 Cb 0.80 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.37 3hgg h TYR 116 CO -0.01 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.81 3hgg h SER 117 N 0.30 0.00 -0.58 3.88 4.64 -1.18 -2.94 113.55 117.68 3hgg h SER 117 Ca 0.63 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.77 3hgg h SER 117 Cb 1.76 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.74 3hgg h SER 117 CO -0.30 0.00 0.23 0.00 -0.87 0.00 0.00 176.83 175.89 3hgg n GLN 118 N -2.46 2.98 0.26 4.77 6.02 -0.18 -4.48 117.38 124.29 3hgg n GLN 118 Ca 0.02 -2.30 0.13 0.00 -0.01 0.00 0.00 57.00 54.84 3hgg n GLN 118 Cb 0.27 -1.98 0.73 0.00 1.02 0.00 0.00 30.24 30.28 3hgg n GLN 118 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3hgg h VAL 119 N 1.93 0.54 -0.40 5.09 3.04 -1.66 -2.11 116.25 122.68 3hgg h VAL 119 Ca 0.22 -0.52 -0.16 0.00 -1.01 0.00 0.00 66.70 65.23 3hgg h VAL 119 Cb 1.98 1.34 -0.10 0.00 -2.01 0.00 0.00 31.29 32.51 3hgg h VAL 119 CO 0.59 0.11 0.03 -1.22 -1.01 0.00 0.00 177.57 176.06 3hgg n TYR 120 N -3.62 1.29 -2.16 3.17 0.53 -1.26 -4.98 117.16 110.13 3hgg n TYR 120 Ca -0.02 -1.41 -0.43 0.00 -1.02 0.00 0.00 57.90 55.03 3hgg n TYR 120 Cb 0.24 -0.49 -0.02 0.00 -1.03 0.00 0.00 39.34 38.03 3hgg n TYR 120 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3hgg s ASP 121 N -2.19 6.42 0.35 7.72 2.15 -0.80 -4.89 116.67 125.44 3hgg s ASP 121 Ca 0.46 1.57 0.25 0.00 0.43 0.00 0.00 52.55 55.25 3hgg s ASP 121 Cb 0.40 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 41.04 3hgg s ASP 121 CO 0.04 -1.23 1.69 0.50 -0.17 0.00 0.00 175.17 175.99 3hgg h LYS 122 N 10.52 0.00 0.00 4.34 3.11 -1.93 -3.09 116.57 129.51 3hgg h LYS 122 Ca -0.33 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.51 3hgg h LYS 122 Cb 1.15 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.37 3hgg h LYS 122 CO 1.01 0.00 -0.02 -0.44 -2.81 0.00 0.00 179.45 177.18 3hgg h ASP 123 N 0.00 0.00 -5.88 4.20 3.32 -1.99 -3.48 116.42 112.60 3hgg h ASP 123 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3hgg h ASP 123 Cb 0.87 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.54 3hgg h ASP 123 CO 0.00 0.02 -0.76 0.54 -1.72 0.00 0.00 179.24 177.32 3hgg n ARG 124 N -3.11 -6.44 0.13 3.56 5.12 -1.17 -4.87 116.66 109.89 3hgg n ARG 124 Ca 0.03 0.76 -0.01 0.00 -1.93 0.00 0.00 57.85 56.71 3hgg n ARG 124 Cb 0.51 -5.67 0.22 0.00 -1.16 0.00 0.00 32.46 26.36 3hgg n ARG 124 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hgg h HIS 125 N -2.11 0.09 -0.30 -1.55 3.86 -1.93 -3.16 115.15 110.05 3hgg h HIS 125 Ca -0.59 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 58.50 3hgg h HIS 125 Cb 1.36 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 3hgg h HIS 125 CO 0.48 0.58 -0.16 1.25 0.86 0.00 0.00 177.93 180.94 3hgg h LEU 126 N 0.06 0.65 -0.36 2.43 5.85 -1.95 -1.23 115.31 120.76 3hgg h LEU 126 Ca -0.00 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.31 3hgg h LEU 126 Cb 0.94 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3hgg h LEU 126 CO 0.07 0.92 0.23 0.00 -0.34 0.00 0.00 178.44 179.33 3hgg h ALA 127 N 0.75 0.46 -0.60 1.25 0.00 -1.96 -1.45 119.26 117.71 3hgg h ALA 127 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hgg h ALA 127 Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hgg h ALA 127 CO 0.05 -0.10 0.39 -0.91 0.00 0.00 0.00 179.25 178.68 3hgg h ASN 128 N 0.47 0.70 -0.02 0.00 2.35 -1.50 0.16 115.58 117.75 3hgg h ASN 128 Ca 0.14 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3hgg h ASN 128 Cb -0.04 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3hgg h ASN 128 CO -0.04 0.52 0.01 -0.25 -1.65 0.00 0.00 177.43 176.03 3hgg h TRP 129 N 0.82 0.02 -0.36 1.19 7.01 -0.89 0.15 115.95 123.89 3hgg h TRP 129 Ca 0.22 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 3hgg h TRP 129 Cb -0.07 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 3hgg h TRP 129 CO -0.03 0.02 0.08 0.82 -2.79 0.00 0.00 178.44 176.54 3hgg h ILE 130 N 0.03 1.23 -0.22 2.65 2.04 -1.09 -1.09 117.51 121.05 3hgg h ILE 130 Ca 0.01 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3hgg h ILE 130 Cb -0.00 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3hgg h ILE 130 CO -0.00 0.26 0.15 -0.33 0.00 0.00 0.00 178.15 178.23 3hgg h GLU 131 N 0.43 0.14 -0.31 2.37 5.08 -0.32 -2.93 114.58 119.05 3hgg h GLU 131 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hgg h GLU 131 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hgg h GLU 131 CO 0.00 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 3hgg n ASN 132 N -4.50 2.83 -0.08 1.42 3.02 0.50 -4.47 115.26 113.97 3hgg n ASN 132 Ca 0.01 -1.91 0.02 0.00 -0.03 0.00 0.00 54.58 52.68 3hgg n ASN 132 Cb 0.19 -0.21 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3hgg n ASN 132 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hgg n ASN 133 N 0.63 1.23 -0.20 6.41 3.02 -0.43 -4.84 115.26 121.08 3hgg n ASN 133 Ca 0.12 -1.93 0.22 0.00 -0.03 0.00 0.00 54.58 52.95 3hgg n ASN 133 Cb 0.42 -0.11 0.59 0.00 -0.61 0.00 0.00 39.78 40.07 3hgg n ASN 133 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3hgg h GLN 134 N 0.00 0.24 0.00 3.52 4.15 -1.76 -0.28 115.11 120.98 3hgg h GLN 134 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hgg h GLN 134 Cb 0.86 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3hgg h GLN 134 CO 0.00 0.16 0.00 -0.56 -1.93 0.00 0.00 178.83 176.50 3hgg h GLN 135 N 0.25 0.00 -0.51 1.69 -0.00 -1.91 -3.15 115.11 111.48 3hgg h GLN 135 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 3hgg h GLN 135 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 3hgg h GLN 135 CO -0.11 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.81 3hgg n ASN 136 N -2.86 3.31 -4.85 0.06 3.02 -0.12 -4.92 115.26 108.90 3hgg n ASN 136 Ca 0.03 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.28 3hgg n ASN 136 Cb 0.39 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 3hgg n ASN 136 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hgg s PHE 137 N -1.33 3.41 0.23 3.10 0.08 -1.19 -4.79 117.98 117.50 3hgg s PHE 137 Ca 0.41 1.13 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 3hgg s PHE 137 Cb 0.22 -2.46 0.22 0.00 -0.57 0.00 0.00 43.02 40.43 3hgg s PHE 137 CO 0.30 0.17 1.81 0.66 -0.10 0.00 0.00 175.22 178.07 3hgg h SER 138 N 2.47 1.06 -0.07 1.36 4.64 -1.91 -2.84 113.55 118.26 3hgg h SER 138 Ca -0.48 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 60.72 3hgg h SER 138 Cb 1.18 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3hgg h SER 138 CO 0.66 0.92 0.12 0.10 -0.87 0.00 0.00 176.83 177.76 3hgg h TYR 139 N 1.14 0.00 -0.27 4.77 -0.00 -1.94 0.21 116.97 120.88 3hgg h TYR 139 Ca 0.27 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 59.08 3hgg h TYR 139 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.88 3hgg h TYR 139 CO 0.02 0.00 0.30 -0.91 -0.00 0.00 0.00 178.16 177.56 3hgg h ASN 140 N 0.00 0.00 -0.02 0.10 2.35 -1.86 0.22 115.58 116.37 3hgg h ASN 140 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hgg h ASN 140 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3hgg h ASN 140 CO -0.00 0.00 -0.00 0.40 -1.65 0.00 0.00 177.43 176.18 3hgg h ILE 141 N 0.00 1.27 -0.19 2.81 2.04 -0.80 -1.83 117.51 120.80 3hgg h ILE 141 Ca 0.13 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3hgg h ILE 141 Cb 0.72 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3hgg h ILE 141 CO -0.00 0.21 0.02 -0.07 0.00 0.00 0.00 178.15 178.31 3hgg h LEU 142 N -0.28 0.31 -1.93 1.44 3.38 -1.17 -2.08 115.31 114.97 3hgg h LEU 142 Ca 0.01 -0.28 0.26 0.00 0.09 0.00 0.00 57.88 57.95 3hgg h LEU 142 Cb 0.34 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3hgg h LEU 142 CO 0.00 0.52 0.65 -0.03 0.09 0.00 0.00 178.44 179.67 3hgg h MET 143 N 0.10 0.05 -0.08 1.13 4.05 -0.71 -1.39 114.93 118.08 3hgg h MET 143 Ca 0.06 -0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.25 3hgg h MET 143 Cb 0.34 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3hgg h MET 143 CO 0.01 0.03 -0.83 0.78 0.23 0.00 0.00 176.91 177.13 3hgg h GLY 144 N 0.05 0.77 1.86 1.39 0.00 -0.64 -3.09 103.07 103.41 3hgg h GLY 144 Ca 0.44 -1.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.45 3hgg h GLY 144 CO -0.03 1.07 -0.51 0.74 0.00 0.00 0.00 176.54 177.81 3hgg h PHE 145 N 0.38 0.18 -0.13 5.60 -1.00 -0.92 -3.15 116.94 117.90 3hgg h PHE 145 Ca -0.08 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.63 3hgg h PHE 145 Cb 1.48 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.99 3hgg h PHE 145 CO 0.10 0.63 0.04 0.74 -1.61 0.00 0.00 178.31 178.21 3hgg h PHE 146 N 0.12 0.20 0.00 -0.55 0.04 -1.30 -2.45 116.94 113.00 3hgg h PHE 146 Ca 0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3hgg h PHE 146 Cb 0.94 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 3hgg h PHE 146 CO 0.01 0.31 -0.09 0.87 -0.60 0.00 0.00 178.31 178.82 3hgg h LYS 147 N 0.03 0.00 -0.11 1.51 1.57 -1.56 -0.12 116.57 117.89 3hgg h LYS 147 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3hgg h LYS 147 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hgg h LYS 147 CO -0.00 0.09 -0.40 1.96 -0.57 0.00 0.00 179.45 180.53 3hgg h GLN 148 N 0.00 0.24 -6.90 3.15 4.20 -1.40 -3.45 115.11 110.95 3hgg h GLN 148 Ca -0.00 -0.11 -0.53 0.00 0.06 0.00 0.00 58.65 58.07 3hgg h GLN 148 Cb 0.32 -0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.17 3hgg h GLN 148 CO 0.01 0.61 0.68 -0.65 -0.67 0.00 0.00 178.83 178.81 3hgg s GLN 149 N -4.17 4.28 -1.23 1.46 -1.52 -0.06 -4.88 119.66 113.55 3hgg s GLN 149 Ca -0.05 2.32 -0.09 0.00 -1.95 0.00 0.00 55.36 55.59 3hgg s GLN 149 Cb 0.13 -3.04 -0.13 0.00 -0.22 0.00 0.00 33.01 29.75 3hgg s GLN 149 CO 0.77 -0.29 3.12 0.09 -0.25 0.00 0.00 175.29 178.73 3hgg n ASN 150 N 0.69 7.90 -3.73 5.90 4.13 -1.26 -4.70 115.26 124.18 3hgg n ASN 150 Ca 0.00 -2.55 -0.23 0.00 1.68 0.00 0.00 54.58 53.49 3hgg n ASN 150 Cb 0.41 -1.52 -0.18 0.00 -1.54 0.00 0.00 39.78 36.95 3hgg n ASN 150 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3hgg s ASN 151 N 2.14 1.63 0.36 6.41 3.84 -1.26 -5.03 114.94 123.02 3hgg s ASN 151 Ca 0.69 -0.13 0.05 0.00 0.21 0.00 0.00 52.86 53.67 3hgg s ASN 151 Cb 0.21 -0.37 0.67 0.00 -0.55 0.00 0.00 41.25 41.22 3hgg s ASN 151 CO -0.05 -0.23 1.95 0.28 -2.79 0.00 0.00 177.10 176.27 3hgg h SER 152 N 8.35 0.53 -0.13 -4.21 0.02 -1.98 0.16 113.55 116.29 3hgg h SER 152 Ca -0.17 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3hgg h SER 152 Cb 1.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3hgg h SER 152 CO 0.24 0.50 0.03 0.22 -1.14 0.00 0.00 176.83 176.68 3hgg h TYR 153 N 0.58 0.23 -0.31 3.45 3.20 -1.97 -1.48 116.97 120.67 3hgg h TYR 153 Ca 0.14 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3hgg h TYR 153 Cb 0.15 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3hgg h TYR 153 CO 0.01 0.39 -0.19 0.52 -1.64 0.00 0.00 178.16 177.25 3hgg h MET 154 N 0.00 0.58 0.12 1.82 2.86 -1.73 -2.20 114.93 116.38 3hgg h MET 154 Ca 0.04 -0.20 -0.28 0.00 -2.06 0.00 0.00 59.70 57.20 3hgg h MET 154 Cb 0.28 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.91 3hgg h MET 154 CO 0.00 0.74 -1.22 -0.22 1.06 0.00 0.00 176.91 177.26 3hgg h LYS 155 N 0.52 0.42 0.00 1.72 3.64 -0.68 -1.97 116.57 120.21 3hgg h LYS 155 Ca 0.08 -0.61 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 3hgg h LYS 155 Cb 0.62 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hgg h LYS 155 CO 0.04 1.27 -0.22 0.87 -2.27 0.00 0.00 179.45 179.14 3hgg h LYS 156 N 0.16 0.00 -0.37 1.90 1.57 -1.25 -3.24 116.57 115.35 3hgg h LYS 156 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3hgg h LYS 156 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.23 3hgg h LYS 156 CO 0.22 0.14 0.00 0.09 -0.57 0.00 0.00 179.45 179.32 3hgg n ASN 157 N -3.10 3.02 -0.29 0.86 5.03 -0.83 -4.80 115.26 115.15 3hgg n ASN 157 Ca 0.03 -1.92 0.08 0.00 0.87 0.00 0.00 54.58 53.64 3hgg n ASN 157 Cb 0.59 -0.24 0.19 0.00 -1.02 0.00 0.00 39.78 39.29 3hgg n ASN 157 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hgg h ALA 158 N 2.75 0.85 0.03 5.41 0.00 -1.38 0.40 119.26 127.33 3hgg h ALA 158 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hgg h ALA 158 Cb 0.77 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hgg h ALA 158 CO 0.00 -0.46 -0.02 1.49 0.00 0.00 0.00 179.25 180.27 3hgg h GLU 159 N 0.06 -0.04 -0.51 0.00 4.81 -1.87 -1.35 114.58 115.67 3hgg h GLU 159 Ca 0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 3hgg h GLU 159 Cb 0.85 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3hgg h GLU 159 CO -0.79 0.19 0.31 -0.22 -0.73 0.00 0.00 179.01 177.77 3hgg h LYS 160 N -0.27 0.67 -0.36 1.92 3.64 -1.38 -0.98 116.57 119.81 3hgg h LYS 160 Ca -0.00 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 3hgg h LYS 160 Cb 0.25 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3hgg h LYS 160 CO 0.01 0.47 -0.39 -0.07 -2.27 0.00 0.00 179.45 177.19 3hgg h LEU 161 N 0.69 0.93 -0.06 5.20 3.38 -0.89 -0.69 115.31 123.88 3hgg h LEU 161 Ca 0.18 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hgg h LEU 161 Cb -0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3hgg h LEU 161 CO -0.04 1.21 0.03 0.00 0.09 0.00 0.00 178.44 179.73 3hgg h ALA 162 N 0.83 0.07 -0.62 1.53 0.00 -0.36 -1.05 119.26 119.66 3hgg h ALA 162 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hgg h ALA 162 Cb 0.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hgg h ALA 162 CO 0.09 -0.37 0.24 0.28 0.00 0.00 0.00 179.25 179.49 3hgg h VAL 163 N -0.03 1.22 -0.41 0.00 2.07 -1.20 -2.16 116.25 115.75 3hgg h VAL 163 Ca 0.02 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 3hgg h VAL 163 Cb 0.11 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3hgg h VAL 163 CO -0.00 0.28 -0.05 0.25 0.02 0.00 0.00 177.57 178.07 3hgg h LEU 164 N 0.90 0.75 -0.25 2.57 5.85 -0.66 -1.57 115.31 122.90 3hgg h LEU 164 Ca 0.21 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3hgg h LEU 164 Cb 0.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3hgg h LEU 164 CO -0.02 0.91 -0.05 0.15 -0.34 0.00 0.00 178.44 179.09 3hgg h PHE 165 N 0.58 0.54 -0.22 1.25 3.57 -1.10 -1.86 116.94 119.70 3hgg h PHE 165 Ca 0.11 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3hgg h PHE 165 Cb 0.56 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3hgg h PHE 165 CO 0.04 0.69 -0.05 0.00 -2.23 0.00 0.00 178.31 176.76 3hgg h THR 167 N 0.00 0.65 -0.69 0.00 2.02 -1.27 0.10 112.91 113.73 3hgg h THR 167 Ca 0.11 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.39 3hgg h THR 167 Cb 0.16 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 3hgg h THR 167 CO -0.23 0.00 0.29 0.24 0.37 0.00 0.00 175.52 176.19 3hgg h MET 168 N -0.05 0.47 -0.02 6.66 2.07 -0.96 0.32 114.93 123.41 3hgg h MET 168 Ca 0.14 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 3hgg h MET 168 Cb 0.26 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 29.89 3hgg h MET 168 CO -0.32 0.31 -0.01 -0.07 1.07 0.00 0.00 176.91 177.89 3hgg h LEU 169 N 0.48 0.05 -0.27 1.22 3.38 -1.02 -3.38 115.31 115.77 3hgg h LEU 169 Ca 0.35 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3hgg h LEU 169 Cb 0.45 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hgg h LEU 169 CO -0.32 0.48 -0.34 0.50 0.09 0.00 0.00 178.44 178.85 3hgg h LYS 170 N -0.38 0.71 -0.22 1.13 3.64 -0.45 -3.48 116.57 117.52 3hgg h LYS 170 Ca 0.00 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 58.89 3hgg h LYS 170 Cb 0.47 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hgg h LYS 170 CO 0.00 1.02 -0.24 1.49 -2.27 0.00 0.00 179.45 179.46 3hgg h GLU 171 N 0.44 0.55 -0.40 1.90 4.57 -0.56 -2.43 114.58 118.66 3hgg h GLU 171 Ca 0.03 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 57.79 3hgg h GLU 171 Cb 0.92 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3hgg h GLU 171 CO 0.08 0.89 -0.25 -1.35 -1.18 0.00 0.00 179.01 177.20 3hgg h PRO 172 N 0.24 0.83 -0.21 0.92 0.11 -1.90 -3.36 132.00 128.64 3hgg h PRO 172 Ca 0.03 -0.35 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3hgg h PRO 172 Cb 0.79 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3hgg h PRO 172 CO 0.06 0.98 0.09 1.88 -0.21 0.00 0.00 178.00 180.80 3hgg h TYR 173 N 0.71 0.31 -0.64 0.65 -1.99 -1.92 -2.35 116.97 111.75 3hgg h TYR 173 Ca 0.09 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 3hgg h TYR 173 Cb 0.78 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.39 3hgg h TYR 173 CO 0.04 0.34 0.22 1.25 -0.00 0.00 0.00 178.16 180.01 3hgg h HIS 174 N 0.20 0.98 -0.60 4.88 2.76 -1.60 -0.80 115.15 120.96 3hgg h HIS 174 Ca 0.07 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 3hgg h HIS 174 Cb 0.15 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 3hgg h HIS 174 CO -0.02 0.77 0.09 1.25 -1.30 0.00 0.00 177.93 178.72 3hgg h HIS 175 N 0.94 1.05 0.08 5.26 6.17 -1.65 -0.27 115.15 126.71 3hgg h HIS 175 Ca 0.21 -0.14 -0.26 0.00 0.71 0.00 0.00 60.37 60.89 3hgg h HIS 175 Cb 0.24 -0.29 0.01 0.00 2.52 0.00 0.00 27.41 29.89 3hgg h HIS 175 CO 0.02 0.89 -1.12 -0.07 0.71 0.00 0.00 177.93 178.36 3hgg h LEU 176 N 0.93 0.58 -0.18 0.26 3.38 -1.09 -1.80 115.31 117.39 3hgg h LEU 176 Ca 0.19 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3hgg h LEU 176 Cb 0.42 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3hgg h LEU 176 CO 0.01 1.37 -0.29 0.78 0.09 0.00 0.00 178.44 180.40 3hgg h ASN 177 N 0.19 -0.90 0.40 -0.43 2.35 -0.90 -2.02 115.58 114.26 3hgg h ASN 177 Ca -0.13 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3hgg h ASN 177 Cb 1.80 0.40 0.00 0.00 0.05 0.00 0.00 38.32 40.57 3hgg h ASN 177 CO 0.20 -0.32 -0.19 0.58 -1.65 0.00 0.00 177.43 176.04 3hgg h VAL 178 N -0.33 0.61 -0.11 2.81 2.07 -1.01 -0.77 116.25 119.52 3hgg h VAL 178 Ca 0.11 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 3hgg h VAL 178 Cb 0.51 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3hgg h VAL 178 CO -0.37 0.03 -0.49 -0.07 0.02 0.00 0.00 177.57 176.69 3hgg h LEU 179 N -0.63 0.62 -2.71 2.57 3.38 -1.32 -3.37 115.31 113.85 3hgg h LEU 179 Ca -0.06 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3hgg h LEU 179 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hgg h LEU 179 CO 0.09 1.15 -0.03 2.30 0.09 0.00 0.00 178.44 182.05 3hgg n ILE 180 N -4.24 1.05 -2.12 1.22 -5.35 -0.80 -5.00 119.36 104.14 3hgg n ILE 180 Ca -0.08 -1.15 -0.18 0.00 -0.27 0.00 0.00 62.75 61.07 3hgg n ILE 180 Cb 0.59 0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 3hgg n ILE 180 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3hgg n ASN 181 N -0.65 -5.19 -4.53 7.28 3.02 -0.29 -4.94 115.26 109.96 3hgg n ASN 181 Ca 0.04 0.11 -0.46 0.00 -0.03 0.00 0.00 54.58 54.23 3hgg n ASN 181 Cb 0.40 -4.26 -0.02 0.00 -0.61 0.00 0.00 39.78 35.29 3hgg n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hgg n ALA 182 N -1.00 -1.18 -1.54 5.41 0.00 -0.98 -4.89 120.51 116.33 3hgg n ALA 182 Ca -0.20 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3hgg n ALA 182 Cb 0.64 -1.89 0.03 0.00 0.00 0.00 0.00 19.45 18.23 3hgg n ALA 182 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hgg n PRO 183 N 0.95 0.80 -1.76 0.00 -0.02 -1.26 -4.29 135.00 129.42 3hgg n PRO 183 Ca 0.13 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 3hgg n PRO 183 Cb 0.28 -1.89 0.07 0.00 -0.02 0.00 0.00 33.50 31.95 3hgg n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hgg s LEU 184 N -0.21 2.69 -0.04 2.45 1.43 -1.26 -4.91 118.68 118.83 3hgg s LEU 184 Ca 0.69 1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 54.69 3hgg s LEU 184 Cb -0.48 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 3hgg s LEU 184 CO 0.53 -1.69 0.63 -0.54 0.23 0.00 0.00 176.35 175.51 3hgg s LYS 185 N -5.33 4.39 0.57 1.70 1.02 -1.26 -5.08 119.74 115.75 3hgg s LYS 185 Ca 0.60 0.78 -0.14 0.00 0.02 0.00 0.00 55.97 57.22 3hgg s LYS 185 Cb -0.12 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.73 3hgg s LYS 185 CO 0.52 0.20 1.01 0.54 -0.92 0.00 0.00 175.35 176.71 3hgg s ASN 186 N 0.36 6.32 0.43 2.83 2.20 -1.26 -4.77 114.94 121.05 3hgg s ASN 186 Ca 0.34 1.56 0.23 0.00 -0.94 0.00 0.00 52.86 54.05 3hgg s ASN 186 Cb -0.18 -2.50 1.23 0.00 -2.00 0.00 0.00 41.25 37.80 3hgg s ASN 186 CO 0.17 -0.80 1.76 0.11 -2.94 0.00 0.00 177.10 175.39 3hgg h LYS 187 N 0.38 0.27 -0.01 3.55 1.57 -1.98 0.31 116.57 120.65 3hgg h LYS 187 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3hgg h LYS 187 Cb 1.19 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3hgg h LYS 187 CO 0.61 0.18 0.01 -0.22 -0.57 0.00 0.00 179.45 179.46 3hgg h LYS 188 N 0.28 0.02 -0.49 3.15 1.63 -2.00 -0.76 116.57 118.40 3hgg h LYS 188 Ca 0.62 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.39 3hgg h LYS 188 Cb 1.79 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.39 3hgg h LYS 188 CO -0.26 0.04 0.19 0.93 -3.45 0.00 0.00 179.45 176.89 3hgg h GLU 189 N -0.01 0.70 0.16 1.90 5.08 -0.81 -1.51 114.58 120.09 3hgg h GLU 189 Ca 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3hgg h GLU 189 Cb 0.02 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3hgg h GLU 189 CO -0.00 0.58 -0.08 1.96 -1.00 0.00 0.00 179.01 180.47 3hgg h GLN 190 N 0.69 -0.21 0.10 2.33 4.20 -0.73 -1.05 115.11 120.44 3hgg h GLN 190 Ca 0.17 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.91 3hgg h GLN 190 Cb 0.14 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3hgg h GLN 190 CO -0.02 -0.09 -0.23 -0.22 -0.67 0.00 0.00 178.83 177.61 3hgg h LYS 191 N -0.28 -0.40 -0.29 1.46 3.11 -0.92 -1.44 116.57 117.80 3hgg h LYS 191 Ca -0.02 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.90 3hgg h LYS 191 Cb 0.22 0.09 -0.08 0.00 -1.00 0.00 0.00 32.23 31.46 3hgg h LYS 191 CO 0.04 -0.26 -0.41 0.93 -2.81 0.00 0.00 179.45 176.94 3hgg h GLU 192 N -0.41 -0.36 -0.72 1.90 5.08 -1.15 -1.27 114.58 117.64 3hgg h GLU 192 Ca 0.03 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3hgg h GLU 192 Cb 0.44 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3hgg h GLU 192 CO -0.14 -0.24 0.48 1.25 -1.00 0.00 0.00 179.01 179.35 3hgg h HIS 193 N -0.38 0.88 0.11 4.33 2.76 -1.03 -1.28 115.15 120.54 3hgg h HIS 193 Ca 0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3hgg h HIS 193 Cb 0.59 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.26 3hgg h HIS 193 CO -0.55 0.54 -0.05 0.28 -1.30 0.00 0.00 177.93 176.84 3hgg h VAL 194 N 0.93 1.00 -0.48 5.26 2.07 -0.49 -0.64 116.25 123.90 3hgg h VAL 194 Ca 0.27 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.50 3hgg h VAL 194 Cb -0.04 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3hgg h VAL 194 CO -0.07 0.09 0.04 -0.33 0.02 0.00 0.00 177.57 177.33 3hgg h GLU 195 N -0.31 0.16 0.21 1.57 5.08 -0.86 0.15 114.58 120.57 3hgg h GLU 195 Ca -0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3hgg h GLU 195 Cb 0.26 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3hgg h GLU 195 CO 0.02 0.11 -0.35 0.35 -1.00 0.00 0.00 179.01 178.14 3hgg h PHE 196 N 0.16 -0.96 -0.12 4.33 3.04 -1.09 -1.30 116.94 121.00 3hgg h PHE 196 Ca 0.24 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 3hgg h PHE 196 Cb 0.35 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 3hgg h PHE 196 CO -0.27 -0.47 0.07 0.28 -2.02 0.00 0.00 178.31 175.90 3hgg h VAL 197 N -0.63 1.07 -0.65 1.41 2.07 -0.84 -2.50 116.25 116.18 3hgg h VAL 197 Ca 0.01 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3hgg h VAL 197 Cb 0.63 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3hgg h VAL 197 CO -0.15 0.07 0.43 0.58 0.02 0.00 0.00 177.57 178.52 3hgg h VAL 198 N 0.12 0.89 0.01 2.57 2.07 -0.85 0.33 116.25 121.39 3hgg h VAL 198 Ca 0.04 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3hgg h VAL 198 Cb 0.05 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3hgg h VAL 198 CO -0.01 0.08 -0.01 -1.13 0.02 0.00 0.00 177.57 176.53 3hgg h ASN 199 N 0.46 -0.01 -0.64 0.57 -1.24 -0.91 -2.08 115.58 111.73 3hgg h ASN 199 Ca 0.30 -0.71 0.09 0.00 0.71 0.00 0.00 56.30 56.69 3hgg h ASN 199 Cb 0.57 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.55 3hgg h ASN 199 CO -0.09 0.72 0.28 0.58 -1.29 0.00 0.00 177.43 177.63 3hgg h VAL 200 N -0.76 0.82 -0.60 2.57 2.07 -1.30 0.15 116.25 119.20 3hgg h VAL 200 Ca -0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hgg h VAL 200 Cb 0.72 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3hgg h VAL 200 CO 0.00 0.09 0.34 0.15 0.02 0.00 0.00 177.57 178.17 3hgg h PHE 201 N 0.50 0.63 0.10 1.57 3.57 -0.94 0.50 116.94 122.87 3hgg h PHE 201 Ca 0.32 0.02 -0.31 0.00 3.53 0.00 0.00 57.97 61.53 3hgg h PHE 201 Cb 0.35 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3hgg h PHE 201 CO -0.14 0.33 -1.58 -0.07 -2.23 0.00 0.00 178.31 174.62 3hgg h LEU 202 N 0.66 0.35 0.00 0.59 3.38 -0.95 -3.41 115.31 115.92 3hgg h LEU 202 Ca 0.26 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hgg h LEU 202 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hgg h LEU 202 CO -0.14 1.44 -0.09 0.59 0.09 0.00 0.00 178.44 180.32 3hgg n ASN 203 N -3.41 0.43 -0.80 -0.43 3.02 0.49 -5.10 115.26 109.45 3hgg n ASN 203 Ca -0.18 -0.46 0.11 0.00 -0.03 0.00 0.00 54.58 54.02 3hgg n ASN 203 Cb 1.04 1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 41.18 3hgg n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgg n GLY 204 N 1.13 -1.96 0.02 7.41 0.00 0.17 -4.53 105.19 107.44 3hgg n GLY 204 Ca 0.00 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.84 3hgg n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hgg n ILE 205 N -3.13 0.11 -2.55 -0.61 -5.35 -1.26 -4.62 119.36 101.95 3hgg n ILE 205 Ca -0.01 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 61.97 3hgg n ILE 205 Cb 0.37 0.10 -0.01 0.00 -1.74 0.00 0.00 39.64 38.36 3hgg n ILE 205 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3hgg s ASN 206 N -3.39 6.63 0.00 7.28 0.01 -1.26 -5.17 114.94 119.04 3hgg s ASN 206 Ca 0.09 -2.03 0.00 0.00 -0.71 0.00 0.00 52.86 50.22 3hgg s ASN 206 Cb 0.16 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.25 3hgg s ASN 206 CO 0.70 -1.38 0.00 -1.54 -1.51 0.00 0.00 177.10 173.37