#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aui n TYR 6 N 0.00 -1.57 -0.66 1.43 4.01 -1.26 -5.01 117.16 114.10 1aui n TYR 6 Ca 0.00 0.94 -0.29 0.00 -0.16 0.00 0.00 57.90 58.39 1aui n TYR 6 Cb 0.00 -2.56 0.22 0.00 -0.31 0.00 0.00 39.34 36.69 1aui n TYR 6 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1aui s PRO 7 N -2.04 -0.24 -0.08 -0.72 0.02 -1.26 -5.03 135.00 125.65 1aui s PRO 7 Ca 0.00 1.00 0.04 0.00 0.02 0.00 0.00 61.00 62.06 1aui s PRO 7 Cb 0.00 -1.62 -0.01 0.00 0.02 0.00 0.00 34.50 32.89 1aui s PRO 7 CO 0.00 -3.32 -0.19 -1.17 -0.33 0.00 0.00 177.00 171.99 1aui s LEU 8 N -6.97 2.38 0.03 -5.54 2.96 -1.26 -5.12 118.68 105.17 1aui s LEU 8 Ca 0.67 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.11 1aui s LEU 8 Cb -0.24 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1aui s LEU 8 CO 0.62 0.23 0.31 -1.83 -1.32 0.00 0.00 176.35 174.36 1aui s GLU 9 N -0.07 3.62 0.04 1.98 1.03 -1.26 -5.10 118.70 118.95 1aui s GLU 9 Ca -0.05 -0.02 -0.27 0.00 0.03 0.00 0.00 54.97 54.66 1aui s GLU 9 Cb -0.14 -3.05 0.09 0.00 -0.80 0.00 0.00 34.13 30.23 1aui s GLU 9 CO 0.04 0.62 0.87 0.00 -1.33 0.00 0.00 175.26 175.46 1aui s MET 10 N -1.86 0.94 -0.16 -4.83 0.23 -1.26 -4.92 119.30 107.45 1aui s MET 10 Ca 0.30 -0.39 0.01 0.00 -1.03 0.00 0.00 55.69 54.58 1aui s MET 10 Cb -0.13 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1aui s MET 10 CO 0.17 -0.42 -0.18 0.00 -2.03 0.00 0.00 175.02 172.57 1aui s SER 12 N 1.27 -0.28 0.00 0.00 1.04 -1.26 -4.55 113.70 109.92 1aui s SER 12 Ca 0.02 -0.36 0.28 0.00 0.48 0.00 0.00 55.95 56.37 1aui s SER 12 Cb -0.13 0.57 1.07 0.00 0.10 0.00 0.00 66.02 67.62 1aui s SER 12 CO -0.10 -1.02 1.76 1.41 0.98 0.00 0.00 173.24 176.28 1aui n HIS 13 N -0.42 0.00 -2.73 5.02 8.25 -1.26 -4.94 115.22 119.14 1aui n HIS 13 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 1aui n HIS 13 Cb 0.61 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 1aui n HIS 13 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1aui s PHE 14 N -2.44 3.38 0.54 4.41 0.08 -1.26 -5.01 117.98 117.69 1aui s PHE 14 Ca 0.28 1.66 -0.02 0.00 0.12 0.00 0.00 56.93 58.98 1aui s PHE 14 Cb 0.20 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 1aui s PHE 14 CO 0.48 -0.19 0.80 0.16 -0.10 0.00 0.00 175.22 176.36 1aui s ASP 15 N -1.88 5.48 0.22 1.36 1.47 -1.26 -4.88 116.67 117.18 1aui s ASP 15 Ca 0.58 0.32 -0.16 0.00 1.18 0.00 0.00 52.55 54.47 1aui s ASP 15 Cb -0.15 -1.33 0.23 0.00 -0.34 0.00 0.00 42.92 41.34 1aui s ASP 15 CO 0.19 -1.03 1.59 0.00 0.68 0.00 0.00 175.17 176.60 1aui h ALA 16 N 0.04 0.23 -0.23 2.11 0.00 -1.99 -0.58 119.26 118.85 1aui h ALA 16 Ca -0.45 0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1aui h ALA 16 Cb 1.27 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 1aui h ALA 16 CO 0.57 -0.55 -0.12 -0.44 0.00 0.00 0.00 179.25 178.71 1aui h ASP 17 N -0.07 -0.40 -0.72 0.00 3.32 -1.99 -0.60 116.42 115.97 1aui h ASP 17 Ca 0.32 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 1aui h ASP 17 Cb 0.57 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1aui h ASP 17 CO -0.79 -0.15 0.30 -0.33 -1.72 0.00 0.00 179.24 176.54 1aui h GLU 18 N -0.10 1.08 -0.64 3.56 5.08 -1.70 -1.01 114.58 120.86 1aui h GLU 18 Ca 0.12 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1aui h GLU 18 Cb 0.28 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1aui h GLU 18 CO -0.29 0.88 0.14 0.82 -1.00 0.00 0.00 179.01 179.55 1aui h ILE 19 N 1.06 1.25 -0.58 3.13 2.04 -0.78 0.15 117.51 123.79 1aui h ILE 19 Ca 0.25 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 1aui h ILE 19 Cb 0.19 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1aui h ILE 19 CO -0.02 0.36 0.03 0.50 0.00 0.00 0.00 178.15 179.02 1aui h LYS 20 N 0.97 1.00 -0.27 2.37 3.64 -0.73 0.33 116.57 123.89 1aui h LYS 20 Ca 0.20 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1aui h LYS 20 Cb 0.37 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1aui h LYS 20 CO 0.00 0.98 0.07 0.00 -2.27 0.00 0.00 179.45 178.24 1aui h ARG 21 N 0.89 0.43 -0.87 1.90 3.08 -0.46 -2.33 114.38 117.03 1aui h ARG 21 Ca 0.17 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1aui h ARG 21 Cb 0.51 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1aui h ARG 21 CO 0.02 0.51 0.49 -0.07 -1.07 0.00 0.00 179.97 179.85 1aui h LEU 22 N 0.27 1.08 -1.04 3.04 3.38 -0.59 -2.16 115.31 119.29 1aui h LEU 22 Ca 0.09 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1aui h LEU 22 Cb 0.26 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1aui h LEU 22 CO -0.00 0.86 0.63 1.23 0.09 0.00 0.00 178.44 181.25 1aui h GLY 23 N 1.23 1.54 0.90 0.83 0.00 -0.49 0.17 103.07 107.24 1aui h GLY 23 Ca 0.31 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1aui h GLY 23 CO -0.05 0.26 -0.03 0.50 0.00 0.00 0.00 176.54 177.22 1aui h LYS 24 N 1.07 -0.07 -0.31 4.80 1.57 -0.88 -0.55 116.57 122.20 1aui h LYS 24 Ca 0.45 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1aui h LYS 24 Cb 0.32 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1aui h LYS 24 CO -0.21 0.05 0.18 0.00 -0.57 0.00 0.00 179.45 178.91 1aui h ARG 25 N -0.18 0.36 -0.95 3.15 -0.00 -1.00 -1.35 114.38 114.42 1aui h ARG 25 Ca -0.01 -0.02 0.20 0.00 -0.50 0.00 0.00 59.98 59.65 1aui h ARG 25 Cb 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 29.97 29.96 1aui h ARG 25 CO 0.01 0.24 0.61 0.35 0.00 0.00 0.00 179.97 181.18 1aui h PHE 26 N 0.37 0.77 -0.16 3.04 3.57 -0.35 -0.90 116.94 123.29 1aui h PHE 26 Ca 0.12 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1aui h PHE 26 Cb -0.00 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1aui h PHE 26 CO -0.08 0.20 -0.22 0.87 -2.23 0.00 0.00 178.31 176.85 1aui h LYS 27 N 0.57 0.42 -0.57 1.11 1.57 -0.14 -1.67 116.57 117.87 1aui h LYS 27 Ca 0.52 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1aui h LYS 27 Cb 1.04 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 1aui h LYS 27 CO -0.26 0.83 0.38 -0.22 -0.57 0.00 0.00 179.45 179.61 1aui h LYS 28 N 0.05 0.65 0.00 3.15 3.64 -0.16 -2.59 116.57 121.30 1aui h LYS 28 Ca 0.02 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1aui h LYS 28 Cb 0.79 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1aui h LYS 28 CO 0.05 0.43 -0.83 -0.07 -2.27 0.00 0.00 179.45 176.76 1aui h LEU 29 N 0.67 0.00 -7.94 5.20 3.38 -1.20 -3.39 115.31 112.03 1aui h LEU 29 Ca 0.23 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.58 1aui h LEU 29 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1aui h LEU 29 CO -0.06 0.83 1.89 -0.62 0.09 0.00 0.00 178.44 180.57 1aui s ASP 30 N -6.70 6.51 0.09 -0.43 2.15 -0.64 -4.79 116.67 112.87 1aui s ASP 30 Ca 0.01 -2.10 -0.36 0.00 0.43 0.00 0.00 52.55 50.53 1aui s ASP 30 Cb 0.10 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.98 1aui s ASP 30 CO 0.79 -1.51 1.56 -0.07 -0.17 0.00 0.00 175.17 175.77 1aui h LEU 31 N 13.38 -1.46 -0.83 -1.34 4.07 -1.80 -2.44 115.31 124.89 1aui h LEU 31 Ca 0.36 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1aui h LEU 31 Cb 0.91 0.50 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1aui h LEU 31 CO 1.42 -0.64 0.00 -0.90 -1.08 0.00 0.00 178.44 177.24 1aui n ASP 32 N -5.52 0.81 -3.77 -0.43 5.75 -1.26 -4.83 116.55 107.29 1aui n ASP 32 Ca -0.11 -1.95 -0.31 0.00 -0.01 0.00 0.00 54.79 52.41 1aui n ASP 32 Cb 0.45 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 1aui n ASP 32 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1aui n ASN 33 N -0.08 -1.41 -0.04 -1.12 4.13 -0.92 -4.77 115.26 111.06 1aui n ASN 33 Ca 0.00 -0.86 0.14 0.00 1.68 0.00 0.00 54.58 55.54 1aui n ASN 33 Cb 0.20 -1.24 0.59 0.00 -1.54 0.00 0.00 39.78 37.79 1aui n ASN 33 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1aui n SER 34 N -1.77 0.24 0.00 6.41 3.41 -1.26 -4.93 113.62 115.71 1aui n SER 34 Ca 0.09 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1aui n SER 34 Cb 0.37 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1aui n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aui n GLY 35 N 1.38 0.68 2.83 5.00 0.00 -1.26 -4.99 105.19 108.83 1aui n GLY 35 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1aui n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aui s SER 36 N -2.40 0.50 0.21 1.61 1.04 -1.26 -3.80 113.70 109.60 1aui s SER 36 Ca 0.00 0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 1aui s SER 36 Cb 0.00 0.16 -0.08 0.00 0.10 0.00 0.00 66.02 66.20 1aui s SER 36 CO 0.00 -0.21 1.02 -0.76 0.98 0.00 0.00 173.24 174.28 1aui s LEU 37 N 1.85 4.55 0.33 2.42 1.02 0.99 -4.83 118.68 125.01 1aui s LEU 37 Ca -0.01 2.03 0.08 0.00 0.02 0.00 0.00 54.13 56.25 1aui s LEU 37 Cb -0.12 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 1aui s LEU 37 CO -0.05 -0.06 0.18 -0.94 0.02 0.00 0.00 176.35 175.50 1aui s SER 38 N -0.58 4.90 0.21 2.29 1.04 -1.26 -1.09 113.70 119.21 1aui s SER 38 Ca 0.45 -0.65 -0.11 0.00 0.48 0.00 0.00 55.95 56.13 1aui s SER 38 Cb -0.28 -0.85 0.27 0.00 0.10 0.00 0.00 66.02 65.26 1aui s SER 38 CO 0.34 -0.27 1.69 0.58 0.98 0.00 0.00 173.24 176.56 1aui h VAL 39 N 1.49 0.60 -0.23 5.02 2.07 -1.98 0.24 116.25 123.45 1aui h VAL 39 Ca -0.44 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1aui h VAL 39 Cb 1.25 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1aui h VAL 39 CO 0.61 0.03 -0.06 -0.08 0.02 0.00 0.00 177.57 178.10 1aui h GLU 40 N 0.19 0.35 -0.09 1.57 4.81 -1.96 0.27 114.58 119.72 1aui h GLU 40 Ca 0.30 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1aui h GLU 40 Cb 0.47 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1aui h GLU 40 CO -0.44 0.43 -0.50 0.93 -0.73 0.00 0.00 179.01 178.71 1aui h GLU 41 N 0.34 0.24 -0.04 1.92 5.08 -1.03 -2.02 114.58 119.08 1aui h GLU 41 Ca 0.07 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1aui h GLU 41 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1aui h GLU 41 CO 0.01 0.69 -0.08 0.74 -1.00 0.00 0.00 179.01 179.37 1aui h PHE 42 N 0.19 0.15 0.00 4.33 0.04 0.16 -3.12 116.94 118.69 1aui h PHE 42 Ca 0.01 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1aui h PHE 42 Cb 0.95 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1aui h PHE 42 CO 0.02 0.68 0.00 -1.33 -0.60 0.00 0.00 178.31 177.08 1aui n MET 43 N -4.70 0.23 0.28 1.51 2.81 0.87 -2.84 117.12 115.28 1aui n MET 43 Ca -0.08 0.13 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 1aui n MET 43 Cb 0.34 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.11 1aui n MET 43 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1aui h SER 44 N 0.00 0.00 -3.35 7.83 0.02 -1.30 -3.41 113.55 113.34 1aui h SER 44 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1aui h SER 44 Cb 0.10 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.56 1aui h SER 44 CO 0.00 0.06 0.30 -0.76 -1.14 0.00 0.00 176.83 175.29 1aui s LEU 45 N -6.50 4.13 0.45 5.07 1.02 -1.13 -4.96 118.68 116.76 1aui s LEU 45 Ca -0.01 0.98 0.16 0.00 0.02 0.00 0.00 54.13 55.29 1aui s LEU 45 Cb 0.11 -3.08 1.03 0.00 0.02 0.00 0.00 46.19 44.27 1aui s LEU 45 CO 0.54 -0.39 1.98 -0.65 0.02 0.00 0.00 176.35 177.85 1aui h PRO 46 N 7.53 0.00 -0.36 1.29 0.11 -1.91 -2.49 132.00 136.16 1aui h PRO 46 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1aui h PRO 46 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1aui h PRO 46 CO 0.82 0.20 0.12 0.93 -0.21 0.00 0.00 178.00 179.86 1aui h GLU 47 N 0.00 0.52 0.00 1.05 3.07 -1.94 -2.68 114.58 114.59 1aui h GLU 47 Ca -0.00 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 1aui h GLU 47 Cb 0.38 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1aui h GLU 47 CO 0.03 0.45 -0.48 -0.07 -1.40 0.00 0.00 179.01 177.54 1aui h LEU 48 N 0.51 0.00 -1.69 1.33 4.07 -1.79 -3.18 115.31 114.56 1aui h LEU 48 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1aui h LEU 48 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1aui h LEU 48 CO -0.01 0.33 0.00 0.06 -1.08 0.00 0.00 178.44 177.74 1aui h GLN 49 N 0.00 0.00 -2.46 1.13 3.07 -1.30 -3.21 115.11 112.34 1aui h GLN 49 Ca -0.02 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 58.01 1aui h GLN 49 Cb 1.27 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.48 1aui h GLN 49 CO 0.04 0.00 0.19 0.94 0.09 0.00 0.00 178.83 180.09 1aui n GLN 50 N -2.98 3.89 -3.41 0.06 -0.06 -1.20 -4.89 117.38 108.78 1aui n GLN 50 Ca -0.00 -4.67 0.01 0.00 -2.00 0.00 0.00 57.00 50.35 1aui n GLN 50 Cb 0.25 -2.38 -0.03 0.00 -4.06 0.00 0.00 30.24 24.01 1aui n GLN 50 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1aui s ASN 51 N -2.21 -1.12 0.31 1.69 3.84 -1.21 -5.05 114.94 111.19 1aui s ASN 51 Ca 0.38 1.16 0.25 0.00 0.21 0.00 0.00 52.86 54.86 1aui s ASN 51 Cb 0.15 2.12 1.03 0.00 -0.55 0.00 0.00 41.25 44.00 1aui s ASN 51 CO -0.01 -0.21 1.76 1.55 -2.79 0.00 0.00 177.10 177.40 1aui h PRO 52 N 7.94 0.00 -0.53 0.43 0.14 -1.89 -3.29 132.00 134.81 1aui h PRO 52 Ca -0.19 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.95 1aui h PRO 52 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.27 1aui h PRO 52 CO 0.14 0.00 0.00 1.28 0.14 0.00 0.00 178.00 179.56 1aui n LEU 53 N -2.39 4.01 -0.22 1.56 4.77 -1.26 -4.59 117.00 118.87 1aui n LEU 53 Ca 0.02 -2.32 -0.06 0.00 -0.03 0.00 0.00 56.01 53.61 1aui n LEU 53 Cb 0.26 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1aui n LEU 53 CO 0.22 0.80 1.09 0.58 -1.33 0.00 0.00 177.39 178.75 1aui h VAL 54 N 3.25 1.19 -0.06 4.08 2.07 -1.90 -1.71 116.25 123.17 1aui h VAL 54 Ca 0.00 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1aui h VAL 54 Cb 1.18 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1aui h VAL 54 CO 0.13 0.20 -0.41 -0.61 0.02 0.00 0.00 177.57 176.90 1aui h GLN 55 N 0.85 0.13 -0.34 1.57 5.75 -1.89 -1.80 115.11 119.39 1aui h GLN 55 Ca 0.22 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1aui h GLN 55 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1aui h GLN 55 CO -0.04 0.52 -0.04 0.00 -2.65 0.00 0.00 178.83 176.62 1aui h ARG 56 N 0.11 0.63 -0.03 1.69 2.47 -1.73 -2.04 114.38 115.48 1aui h ARG 56 Ca 0.01 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1aui h ARG 56 Cb 0.77 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1aui h ARG 56 CO 0.06 0.77 0.01 0.28 0.56 0.00 0.00 179.97 181.66 1aui h VAL 57 N 0.42 1.13 -0.44 2.04 2.07 -1.16 -1.60 116.25 118.71 1aui h VAL 57 Ca 0.09 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1aui h VAL 57 Cb 0.52 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1aui h VAL 57 CO 0.03 0.11 0.07 0.40 0.02 0.00 0.00 177.57 178.20 1aui h ILE 58 N -0.11 0.74 -0.74 4.57 2.04 -1.35 0.55 117.51 123.22 1aui h ILE 58 Ca 0.01 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1aui h ILE 58 Cb 0.16 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1aui h ILE 58 CO -0.00 0.04 0.37 0.44 0.00 0.00 0.00 178.15 179.00 1aui h ASP 59 N 0.20 0.93 -0.23 1.72 3.32 -1.30 0.66 116.42 121.72 1aui h ASP 59 Ca 0.22 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1aui h ASP 59 Cb 0.28 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1aui h ASP 59 CO -0.30 0.77 -0.16 0.40 -1.72 0.00 0.00 179.24 178.23 1aui h ILE 60 N 1.04 1.31 -0.81 0.35 2.04 -0.80 -3.20 117.51 117.44 1aui h ILE 60 Ca 0.26 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1aui h ILE 60 Cb 0.07 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1aui h ILE 60 CO -0.04 0.40 0.44 -0.26 0.00 0.00 0.00 178.15 178.69 1aui h PHE 61 N 0.21 1.11 -0.27 1.37 -1.00 0.14 -3.32 116.94 115.18 1aui h PHE 61 Ca 0.04 -0.02 -0.67 0.00 2.81 0.00 0.00 57.97 60.13 1aui h PHE 61 Cb 0.69 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.85 1aui h PHE 61 CO 0.07 0.77 2.64 -3.47 -1.61 0.00 0.00 178.31 176.71 1aui n ASP 62 N -4.34 3.93 0.25 2.17 2.03 0.22 -4.69 116.55 116.11 1aui n ASP 62 Ca 0.08 -2.83 0.09 0.00 0.52 0.00 0.00 54.79 52.66 1aui n ASP 62 Cb 0.10 -1.61 0.65 0.00 -0.72 0.00 0.00 41.12 39.54 1aui n ASP 62 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1aui h THR 63 N 4.64 0.85 -0.32 5.18 2.02 -1.78 -2.77 112.91 120.72 1aui h THR 63 Ca 0.49 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1aui h THR 63 Cb 0.73 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1aui h THR 63 CO 1.74 0.11 0.00 -0.90 0.37 0.00 0.00 175.52 176.84 1aui n ASP 64 N -4.05 2.84 -3.50 4.18 5.75 -1.26 -4.97 116.55 115.52 1aui n ASP 64 Ca -0.02 -1.91 -0.26 0.00 -0.01 0.00 0.00 54.79 52.59 1aui n ASP 64 Cb 0.20 -0.20 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1aui n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aui n GLY 65 N 1.37 -0.51 1.14 6.12 0.00 -1.04 -4.85 105.19 107.42 1aui n GLY 65 Ca 0.18 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1aui n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aui n ASN 66 N -2.69 3.47 0.00 1.61 6.94 -1.26 -4.97 115.26 118.37 1aui n ASN 66 Ca -0.02 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 1aui n ASN 66 Cb 0.56 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1aui n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1aui n GLY 67 N 1.46 1.99 3.35 4.83 0.00 -1.26 -5.02 105.19 110.53 1aui n GLY 67 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 1aui n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aui s GLU 68 N -0.39 1.33 -0.37 1.61 2.02 -1.26 -4.50 118.70 117.14 1aui s GLU 68 Ca 0.00 -1.59 -0.11 0.00 0.02 0.00 0.00 54.97 53.29 1aui s GLU 68 Cb 0.00 -1.11 0.02 0.00 0.10 0.00 0.00 34.13 33.14 1aui s GLU 68 CO 0.00 0.18 0.20 0.08 0.02 0.00 0.00 175.26 175.74 1aui s VAL 69 N -2.98 4.58 1.05 2.63 1.01 -0.25 -4.72 120.40 121.72 1aui s VAL 69 Ca 0.23 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1aui s VAL 69 Cb -0.01 -3.54 0.24 0.00 0.00 0.00 0.00 36.38 33.08 1aui s VAL 69 CO 0.07 -0.21 1.30 1.51 0.00 0.00 0.00 175.10 177.77 1aui s ASP 70 N 1.56 2.31 0.17 3.32 1.47 -1.26 -0.01 116.67 124.23 1aui s ASP 70 Ca 0.02 0.24 -0.09 0.00 1.18 0.00 0.00 52.55 53.90 1aui s ASP 70 Cb -0.19 -0.23 0.05 0.00 -0.34 0.00 0.00 42.92 42.21 1aui s ASP 70 CO 0.07 -3.23 1.56 0.15 0.68 0.00 0.00 175.17 174.39 1aui h PHE 71 N -1.99 1.07 -0.38 2.11 3.57 -1.99 -1.30 116.94 118.04 1aui h PHE 71 Ca -0.44 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 60.83 1aui h PHE 71 Cb 1.23 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1aui h PHE 71 CO -1.75 1.07 0.18 -0.22 -2.23 0.00 0.00 178.31 175.36 1aui h LYS 72 N 0.80 0.36 -0.67 1.11 3.64 -1.93 -1.11 116.57 118.75 1aui h LYS 72 Ca 0.10 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1aui h LYS 72 Cb 0.81 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1aui h LYS 72 CO 0.07 0.24 0.26 0.93 -2.27 0.00 0.00 179.45 178.67 1aui h GLU 73 N 0.37 1.01 0.26 1.90 5.08 -1.82 -1.14 114.58 120.24 1aui h GLU 73 Ca 0.16 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1aui h GLU 73 Cb 0.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1aui h GLU 73 CO -0.12 0.85 -0.15 0.35 -1.00 0.00 0.00 179.01 178.94 1aui h PHE 74 N 0.96 -0.39 -0.55 4.33 3.57 -0.91 -0.15 116.94 123.80 1aui h PHE 74 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1aui h PHE 74 Cb 0.22 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1aui h PHE 74 CO 0.02 -0.24 0.25 0.82 -2.23 0.00 0.00 178.31 176.93 1aui h ILE 75 N -0.39 1.21 0.00 1.41 1.08 -1.11 -0.46 117.51 119.25 1aui h ILE 75 Ca -0.03 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.75 1aui h ILE 75 Cb 0.32 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1aui h ILE 75 CO 0.04 0.24 -0.39 -0.33 -0.69 0.00 0.00 178.15 177.02 1aui h GLU 76 N 0.74 0.00 0.05 2.37 5.08 -1.10 -0.61 114.58 121.10 1aui h GLU 76 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1aui h GLU 76 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1aui h GLU 76 CO -0.02 0.39 -0.49 0.78 -1.00 0.00 0.00 179.01 178.67 1aui h GLY 77 N 1.54 0.28 1.96 -3.84 0.00 -0.83 -3.20 103.07 98.98 1aui h GLY 77 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1aui h GLY 77 CO 0.05 0.51 -0.08 -2.08 0.00 0.00 0.00 176.54 174.94 1aui h VAL 78 N -0.43 1.08 0.00 4.60 2.07 -1.03 -2.43 116.25 120.11 1aui h VAL 78 Ca -0.07 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1aui h VAL 78 Cb 1.29 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1aui h VAL 78 CO 0.09 0.11 -0.00 -1.28 0.02 0.00 0.00 177.57 176.51 1aui h SER 79 N 0.05 0.00 0.43 0.57 0.87 -1.10 -1.23 113.55 113.15 1aui h SER 79 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1aui h SER 79 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1aui h SER 79 CO 0.01 0.00 0.00 1.56 -0.53 0.00 0.00 176.83 177.88 1aui h GLN 80 N 0.00 0.00 -0.41 2.24 1.08 -1.50 -1.20 115.11 115.33 1aui h GLN 80 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aui h GLN 80 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1aui h GLN 80 CO 0.00 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.07 1aui n PHE 81 N -2.91 0.54 -1.67 2.96 3.01 -0.47 -4.45 117.46 114.47 1aui n PHE 81 Ca -0.01 -0.40 -0.35 0.00 1.01 0.00 0.00 57.45 57.70 1aui n PHE 81 Cb 0.16 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 39.69 1aui n PHE 81 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1aui s SER 82 N -1.07 4.59 0.52 4.37 0.15 -0.45 -1.27 113.70 120.53 1aui s SER 82 Ca 0.31 2.42 0.34 0.00 0.70 0.00 0.00 55.95 59.72 1aui s SER 82 Cb 0.17 -2.60 1.52 0.00 -1.71 0.00 0.00 66.02 63.40 1aui s SER 82 CO 0.22 -2.00 2.01 -0.37 1.20 0.00 0.00 173.24 174.30 1aui h VAL 83 N 0.24 0.00 0.00 4.45 -1.51 -1.90 -2.63 116.25 114.90 1aui h VAL 83 Ca -0.49 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1aui h VAL 83 Cb 1.31 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1aui h VAL 83 CO 0.52 0.00 -0.01 0.29 -1.23 0.00 0.00 177.57 177.14 1aui n LYS 84 N -2.92 0.21 -1.82 5.19 5.02 -1.26 -4.91 118.16 117.66 1aui n LYS 84 Ca -0.00 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 56.09 1aui n LYS 84 Cb 0.23 -1.74 0.06 0.00 -0.02 0.00 0.00 35.03 33.56 1aui n LYS 84 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1aui s GLY 85 N -3.46 2.83 0.30 0.72 0.00 -0.99 -5.04 107.32 101.67 1aui s GLY 85 Ca 0.11 1.16 -0.06 0.00 0.00 0.00 0.00 44.72 45.94 1aui s GLY 85 CO 0.58 1.57 0.57 0.51 0.00 0.00 0.00 173.10 176.34 1aui s ASP 86 N -1.45 6.46 0.24 1.64 1.47 -1.26 -4.99 116.67 118.78 1aui s ASP 86 Ca 0.81 0.76 -0.11 0.00 1.18 0.00 0.00 52.55 55.19 1aui s ASP 86 Cb -0.35 -2.16 0.35 0.00 -0.34 0.00 0.00 42.92 40.41 1aui s ASP 86 CO 0.38 -0.21 1.60 0.50 0.68 0.00 0.00 175.17 178.11 1aui h LYS 87 N 1.66 0.00 -0.70 2.11 3.64 -1.96 -2.40 116.57 118.93 1aui h LYS 87 Ca -0.48 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1aui h LYS 87 Cb 1.19 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1aui h LYS 87 CO 0.66 0.00 0.42 1.49 -2.27 0.00 0.00 179.45 179.76 1aui h GLU 88 N 0.00 0.78 -0.34 1.90 4.81 -1.99 -1.80 114.58 117.95 1aui h GLU 88 Ca 0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1aui h GLU 88 Cb 0.60 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1aui h GLU 88 CO -0.82 0.52 0.22 0.37 -0.73 0.00 0.00 179.01 178.56 1aui h GLN 89 N 0.80 0.46 -0.41 1.92 4.15 -1.83 0.35 115.11 120.54 1aui h GLN 89 Ca 0.30 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 1aui h GLN 89 Cb 0.10 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1aui h GLN 89 CO -0.14 0.32 -0.08 0.87 -1.93 0.00 0.00 178.83 177.87 1aui h LYS 90 N 0.46 0.71 -0.09 1.69 1.57 -1.17 -1.47 116.57 118.26 1aui h LYS 90 Ca 0.12 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1aui h LYS 90 Cb -0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1aui h LYS 90 CO -0.03 0.77 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.85 1aui h LEU 91 N 0.65 0.50 -0.53 2.94 3.38 -0.92 -1.70 115.31 119.65 1aui h LEU 91 Ca 0.12 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1aui h LEU 91 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1aui h LEU 91 CO 0.03 1.06 0.30 -0.09 0.09 0.00 0.00 178.44 179.82 1aui h ARG 92 N 0.29 0.73 -0.71 1.13 9.65 -0.09 0.60 114.38 125.98 1aui h ARG 92 Ca -0.03 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1aui h ARG 92 Cb 1.28 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.69 1aui h ARG 92 CO 0.12 0.55 0.29 0.35 2.80 0.00 0.00 179.97 184.09 1aui h PHE 93 N 0.70 1.08 -0.53 2.20 3.04 -1.14 0.15 116.94 122.44 1aui h PHE 93 Ca 0.19 -0.08 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 1aui h PHE 93 Cb 0.03 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.20 1aui h PHE 93 CO -0.02 0.83 0.08 0.00 -2.02 0.00 0.00 178.31 177.18 1aui h ALA 94 N 1.14 0.71 -0.55 2.41 0.00 -0.55 -2.53 119.26 119.88 1aui h ALA 94 Ca 0.24 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1aui h ALA 94 Cb 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1aui h ALA 94 CO -0.02 0.45 0.24 0.35 0.00 0.00 0.00 179.25 180.27 1aui h PHE 95 N 0.77 0.42 0.00 0.00 3.57 0.11 -0.50 116.94 121.32 1aui h PHE 95 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1aui h PHE 95 Cb 0.42 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1aui h PHE 95 CO 0.03 0.16 0.00 0.54 -2.23 0.00 0.00 178.31 176.81 1aui n ARG 96 N -4.95 0.10 0.13 1.11 1.74 0.44 -1.70 116.66 113.53 1aui n ARG 96 Ca 0.06 0.37 -0.01 0.00 -0.77 0.00 0.00 57.85 57.50 1aui n ARG 96 Cb 0.21 -1.70 0.24 0.00 -1.02 0.00 0.00 32.46 30.18 1aui n ARG 96 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1aui h ILE 97 N 0.00 1.34 0.05 0.55 1.08 -0.75 -3.22 117.51 116.57 1aui h ILE 97 Ca 0.00 -1.64 -0.33 0.00 -0.39 0.00 0.00 64.86 62.50 1aui h ILE 97 Cb 0.28 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 1aui h ILE 97 CO 0.00 0.48 -1.90 -1.22 -0.69 0.00 0.00 178.15 174.82 1aui n TYR 98 N -3.98 1.00 -1.46 1.37 4.01 -0.69 -4.61 117.16 112.80 1aui n TYR 98 Ca -0.02 0.29 -0.43 0.00 -0.16 0.00 0.00 57.90 57.58 1aui n TYR 98 Cb 0.50 -1.16 -0.03 0.00 -0.31 0.00 0.00 39.34 38.35 1aui n TYR 98 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1aui n ASP 99 N -3.21 3.24 -0.20 7.72 2.03 -0.92 -4.51 116.55 120.70 1aui n ASP 99 Ca -0.25 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1aui n ASP 99 Cb 1.05 -1.40 0.09 0.00 -0.72 0.00 0.00 41.12 40.14 1aui n ASP 99 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1aui h MET 100 N 6.92 0.09 -0.14 -0.67 2.86 -1.81 -1.89 114.93 120.29 1aui h MET 100 Ca 0.50 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 1aui h MET 100 Cb 0.66 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1aui h MET 100 CO 1.92 0.06 0.00 -0.40 1.06 0.00 0.00 176.91 179.55 1aui n ASP 101 N -5.29 0.84 -2.90 1.22 5.68 -1.26 -4.92 116.55 109.91 1aui n ASP 101 Ca 0.08 -1.91 -0.19 0.00 -0.50 0.00 0.00 54.79 52.27 1aui n ASP 101 Cb 0.34 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1aui n ASP 101 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1aui n LYS 102 N -0.08 -3.20 0.00 0.11 5.02 -0.71 -4.86 118.16 114.45 1aui n LYS 102 Ca 0.07 0.65 0.14 0.00 -2.02 0.00 0.00 58.31 57.15 1aui n LYS 102 Cb 0.14 -5.35 0.51 0.00 -0.02 0.00 0.00 35.03 30.32 1aui n LYS 102 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1aui n ASP 103 N -2.15 0.68 0.00 4.39 5.75 -1.26 -4.90 116.55 119.05 1aui n ASP 103 Ca -0.10 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1aui n ASP 103 Cb 0.59 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1aui n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aui n GLY 104 N 1.31 0.75 2.89 6.12 0.00 -1.26 -5.05 105.19 109.95 1aui n GLY 104 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1aui n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aui s TYR 105 N -2.56 0.32 -0.21 1.61 2.02 -1.26 -3.96 117.35 113.31 1aui s TYR 105 Ca 0.00 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 1aui s TYR 105 Cb 0.00 -0.28 -0.03 0.00 -0.40 0.00 0.00 41.96 41.25 1aui s TYR 105 CO 0.00 -0.05 0.49 0.42 -1.57 0.00 0.00 175.55 174.83 1aui s ILE 106 N 0.31 5.13 0.53 2.71 1.01 -0.34 -4.81 121.20 125.74 1aui s ILE 106 Ca -0.03 0.88 0.06 0.00 0.00 0.00 0.00 60.65 61.56 1aui s ILE 106 Cb -0.06 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1aui s ILE 106 CO -0.01 0.19 0.73 -0.94 0.00 0.00 0.00 174.94 174.91 1aui s SER 107 N 1.17 5.26 0.07 3.58 1.04 -1.26 -1.13 113.70 122.43 1aui s SER 107 Ca 0.22 -0.49 -0.21 0.00 0.48 0.00 0.00 55.95 55.95 1aui s SER 107 Cb -0.15 -0.30 -0.12 0.00 0.10 0.00 0.00 66.02 65.54 1aui s SER 107 CO 0.09 -1.14 1.55 -1.13 0.98 0.00 0.00 173.24 173.59 1aui h ASN 108 N 0.26 0.21 -0.53 7.02 -0.73 -1.97 0.11 115.58 119.95 1aui h ASN 108 Ca -0.37 -0.24 -0.11 0.00 1.87 0.00 0.00 56.30 57.45 1aui h ASN 108 Cb 1.28 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.80 1aui h ASN 108 CO 0.44 0.40 -0.11 1.23 -0.37 0.00 0.00 177.43 179.01 1aui h GLY 109 N 0.02 1.11 0.94 1.57 0.00 -1.98 0.05 103.07 104.79 1aui h GLY 109 Ca 0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 1aui h GLY 109 CO 0.00 0.82 0.08 0.83 0.00 0.00 0.00 176.54 178.27 1aui h GLU 110 N 0.91 0.19 -0.80 4.80 5.08 -1.82 -0.61 114.58 122.32 1aui h GLU 110 Ca 0.14 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1aui h GLU 110 Cb 0.68 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1aui h GLU 110 CO 0.05 0.19 0.50 1.25 -1.00 0.00 0.00 179.01 180.00 1aui h LEU 111 N 0.13 0.80 -0.05 1.33 5.85 -0.54 -1.15 115.31 121.69 1aui h LEU 111 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1aui h LEU 111 Cb 0.06 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1aui h LEU 111 CO -0.01 0.54 0.02 0.15 -0.34 0.00 0.00 178.44 178.80 1aui h PHE 112 N 0.94 0.07 -0.03 1.25 3.04 -0.74 -2.27 116.94 119.22 1aui h PHE 112 Ca 0.33 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.28 1aui h PHE 112 Cb 0.08 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 1aui h PHE 112 CO -0.04 0.21 0.01 1.96 -2.02 0.00 0.00 178.31 178.43 1aui h GLN 113 N -0.08 0.04 -0.32 1.11 4.20 -0.82 0.68 115.11 119.91 1aui h GLN 113 Ca 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1aui h GLN 113 Cb 0.17 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1aui h GLN 113 CO -0.00 0.15 0.17 0.28 -0.67 0.00 0.00 178.83 178.76 1aui h VAL 114 N -0.08 1.14 -0.72 -0.54 2.07 -1.29 0.43 116.25 117.27 1aui h VAL 114 Ca 0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1aui h VAL 114 Cb 0.13 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1aui h VAL 114 CO -0.00 0.14 0.41 -0.07 0.02 0.00 0.00 177.57 178.07 1aui h LEU 115 N 0.39 0.88 -1.81 2.57 3.38 -1.33 -0.51 115.31 118.87 1aui h LEU 115 Ca 0.11 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1aui h LEU 115 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1aui h LEU 115 CO -0.02 0.71 0.27 0.50 0.09 0.00 0.00 178.44 179.98 1aui h LYS 116 N 0.98 0.22 -0.27 1.13 1.63 0.12 0.16 116.57 120.55 1aui h LYS 116 Ca 0.26 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1aui h LYS 116 Cb 0.00 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1aui h LYS 116 CO -0.04 0.15 0.02 0.52 -3.45 0.00 0.00 179.45 176.64 1aui h MET 117 N 0.23 0.39 0.08 1.90 2.86 0.75 -1.71 114.93 119.42 1aui h MET 117 Ca 0.17 -0.06 -0.36 0.00 -2.06 0.00 0.00 59.70 57.39 1aui h MET 117 Cb 0.40 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1aui h MET 117 CO -0.03 0.40 -2.03 -1.33 1.06 0.00 0.00 176.91 174.98 1aui n MET 118 N -4.34 0.71 0.10 1.72 2.81 -0.14 -4.61 117.12 113.37 1aui n MET 118 Ca 0.01 0.28 -0.23 0.00 -1.81 0.00 0.00 57.70 55.95 1aui n MET 118 Cb 0.20 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 30.90 1aui n MET 118 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1aui h VAL 119 N -0.11 1.29 0.00 2.03 3.04 -0.83 -3.49 116.25 118.18 1aui h VAL 119 Ca -0.46 -2.50 0.00 0.00 -1.01 0.00 0.00 66.70 62.73 1aui h VAL 119 Cb 1.91 2.78 0.00 0.00 -2.01 0.00 0.00 31.29 33.97 1aui h VAL 119 CO -0.00 0.76 0.00 0.61 -1.01 0.00 0.00 177.57 177.92 1aui n GLY 120 N 1.45 2.42 1.72 3.17 0.00 -0.65 -2.87 105.19 110.43 1aui n GLY 120 Ca -0.14 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 1aui n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aui n ASN 121 N 7.26 3.33 -0.07 1.61 5.03 -1.26 -4.18 115.26 126.97 1aui n ASN 121 Ca 0.00 -3.72 0.13 0.00 0.87 0.00 0.00 54.58 51.86 1aui n ASN 121 Cb 0.00 -0.74 0.39 0.00 -1.02 0.00 0.00 39.78 38.41 1aui n ASN 121 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1aui n ASN 122 N -1.12 0.53 -3.85 6.41 3.02 -1.14 -4.73 115.26 114.39 1aui n ASN 122 Ca 0.47 -0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.55 1aui n ASN 122 Cb 1.30 0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 40.39 1aui n ASN 122 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1aui s LEU 123 N -2.81 1.69 0.67 3.41 1.43 -1.26 -5.10 118.68 116.71 1aui s LEU 123 Ca 0.17 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1aui s LEU 123 Cb 0.19 -0.08 -0.00 0.00 0.03 0.00 0.00 46.19 46.33 1aui s LEU 123 CO 0.60 -0.03 1.07 -0.54 0.23 0.00 0.00 176.35 177.67 1aui s LYS 124 N 0.35 2.97 0.36 1.70 1.02 -1.26 -4.81 119.74 120.07 1aui s LYS 124 Ca -0.03 1.10 0.09 0.00 0.02 0.00 0.00 55.97 57.15 1aui s LYS 124 Cb -0.05 -1.99 0.69 0.00 -0.52 0.00 0.00 37.83 35.96 1aui s LYS 124 CO -0.01 -1.08 1.85 -0.44 -0.92 0.00 0.00 175.35 174.75 1aui h ASP 125 N -0.32 0.22 0.29 2.83 3.32 -1.98 0.10 116.42 120.88 1aui h ASP 125 Ca -0.45 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1aui h ASP 125 Cb 1.22 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1aui h ASP 125 CO 0.56 0.45 -0.14 0.71 -1.72 0.00 0.00 179.24 179.10 1aui h THR 126 N 0.21 0.74 0.29 0.35 1.35 -1.98 0.59 112.91 114.45 1aui h THR 126 Ca 0.04 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1aui h THR 126 Cb 0.51 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1aui h THR 126 CO 0.03 0.04 -0.28 1.56 -0.25 0.00 0.00 175.52 176.63 1aui h GLN 127 N -0.48 -0.57 -0.89 4.72 4.20 -1.84 -0.69 115.11 119.56 1aui h GLN 127 Ca -0.04 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1aui h GLN 127 Cb 0.36 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.19 1aui h GLN 127 CO 0.07 -0.38 0.52 1.25 -0.67 0.00 0.00 178.83 179.62 1aui h LEU 128 N -0.59 0.75 -0.81 1.46 5.85 -0.74 -2.71 115.31 118.52 1aui h LEU 128 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1aui h LEU 128 Cb 0.54 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1aui h LEU 128 CO -0.05 0.41 0.38 -0.61 -0.34 0.00 0.00 178.44 178.22 1aui h GLN 129 N 0.85 1.17 -0.46 1.25 5.75 0.11 -2.47 115.11 121.31 1aui h GLN 129 Ca 0.44 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1aui h GLN 129 Cb 0.43 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1aui h GLN 129 CO -0.26 0.91 0.20 1.96 -2.65 0.00 0.00 178.83 178.99 1aui h GLN 130 N 1.15 0.68 0.00 1.69 4.20 -0.85 -0.42 115.11 121.56 1aui h GLN 130 Ca 0.28 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1aui h GLN 130 Cb 0.14 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1aui h GLN 130 CO -0.03 0.60 -0.35 -0.84 -0.67 0.00 0.00 178.83 177.53 1aui h ILE 131 N 0.60 0.88 -0.07 2.54 3.07 -1.41 0.96 117.51 124.09 1aui h ILE 131 Ca 0.16 -1.43 -0.07 0.00 1.55 0.00 0.00 64.86 65.07 1aui h ILE 131 Cb 0.16 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1aui h ILE 131 CO -0.02 0.35 -0.22 0.58 -1.05 0.00 0.00 178.15 177.79 1aui h VAL 132 N 0.00 1.43 0.44 0.16 2.07 -1.29 0.31 116.25 119.37 1aui h VAL 132 Ca -0.00 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1aui h VAL 132 Cb 0.84 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1aui h VAL 132 CO 0.05 0.45 -0.37 0.44 0.02 0.00 0.00 177.57 178.16 1aui h ASP 133 N -0.22 -0.99 -0.18 0.57 3.32 -0.68 -0.28 116.42 117.95 1aui h ASP 133 Ca -0.01 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1aui h ASP 133 Cb 0.85 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1aui h ASP 133 CO 0.05 -0.54 -0.00 0.11 -1.72 0.00 0.00 179.24 177.14 1aui h LYS 134 N -0.82 0.44 -0.59 3.56 1.57 -0.88 0.21 116.57 120.07 1aui h LYS 134 Ca -0.04 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1aui h LYS 134 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1aui h LYS 134 CO -0.02 0.47 0.05 1.15 -0.57 0.00 0.00 179.45 180.52 1aui h THR 135 N 0.42 1.26 -0.24 -0.16 2.02 -0.51 -1.30 112.91 114.40 1aui h THR 135 Ca 0.09 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 1aui h THR 135 Cb 0.29 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1aui h THR 135 CO 0.01 0.39 -0.10 0.40 0.37 0.00 0.00 175.52 176.59 1aui h ILE 136 N 0.90 1.30 -0.41 3.11 2.04 -0.62 -2.03 117.51 121.80 1aui h ILE 136 Ca 0.17 -1.15 0.09 0.00 1.00 0.00 0.00 64.86 64.97 1aui h ILE 136 Cb 0.49 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 1aui h ILE 136 CO 0.02 0.36 -0.25 0.40 0.00 0.00 0.00 178.15 178.67 1aui h ILE 137 N 0.20 0.32 -0.36 -0.67 2.04 -0.76 0.58 117.51 118.87 1aui h ILE 137 Ca 0.05 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 1aui h ILE 137 Cb 0.59 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1aui h ILE 137 CO 0.03 0.00 -0.25 0.78 0.00 0.00 0.00 178.15 178.71 1aui h ASN 138 N -0.18 0.76 1.11 1.72 2.35 -1.20 -3.27 115.58 116.87 1aui h ASN 138 Ca 0.19 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 1aui h ASN 138 Cb 0.49 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1aui h ASN 138 CO -0.52 0.98 -0.94 0.00 -1.65 0.00 0.00 177.43 175.31 1aui h ALA 139 N 1.07 0.65 -0.48 -0.83 0.00 -0.60 -3.42 119.26 115.66 1aui h ALA 139 Ca 0.08 -0.60 -0.48 0.00 0.00 0.00 0.00 54.91 53.92 1aui h ALA 139 Cb 0.76 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1aui h ALA 139 CO 0.06 0.71 1.61 -3.47 0.00 0.00 0.00 179.25 178.17 1aui n ASP 140 N -3.04 3.50 0.00 0.00 2.03 0.20 -4.75 116.55 114.49 1aui n ASP 140 Ca -0.03 -2.76 0.07 0.00 0.52 0.00 0.00 54.79 52.59 1aui n ASP 140 Cb 0.77 -1.66 0.44 0.00 -0.72 0.00 0.00 41.12 39.95 1aui n ASP 140 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1aui n LYS 141 N 8.04 0.80 0.00 -0.67 4.76 -1.26 -3.23 118.16 126.59 1aui n LYS 141 Ca 0.47 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.94 1aui n LYS 141 Cb 0.45 -1.29 -0.01 0.00 -1.84 0.00 0.00 35.03 32.35 1aui n LYS 141 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aui n ASP 142 N -0.79 0.73 0.00 4.39 5.75 -1.26 -5.01 116.55 120.36 1aui n ASP 142 Ca 0.11 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1aui n ASP 142 Cb 0.05 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1aui n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aui n GLY 143 N 0.82 0.53 0.20 6.12 0.00 -1.20 -4.86 105.19 106.80 1aui n GLY 143 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1aui n GLY 143 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aui n ASP 144 N -0.14 0.63 -0.87 1.61 5.75 -1.26 -4.90 116.55 117.37 1aui n ASP 144 Ca 0.00 -1.22 -0.11 0.00 -0.01 0.00 0.00 54.79 53.45 1aui n ASP 144 Cb 0.07 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 1aui n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aui n GLY 145 N 1.07 1.07 3.28 6.12 0.00 -1.26 -4.96 105.19 110.50 1aui n GLY 145 Ca 0.22 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1aui n GLY 145 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1aui s ARG 146 N -3.09 0.89 -0.40 1.61 1.70 -1.26 -4.56 118.95 113.83 1aui s ARG 146 Ca 0.00 -0.54 -0.15 0.00 -0.47 0.00 0.00 55.73 54.57 1aui s ARG 146 Cb 0.00 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1aui s ARG 146 CO 0.00 -0.30 0.29 0.42 -1.08 0.00 0.00 175.30 174.63 1aui s ILE 147 N -2.86 5.23 1.04 4.99 -1.09 -0.29 -4.80 121.20 123.42 1aui s ILE 147 Ca -0.03 -0.63 -0.15 0.00 -2.23 0.00 0.00 60.65 57.62 1aui s ILE 147 Cb 0.00 -3.89 0.21 0.00 -1.58 0.00 0.00 42.46 37.20 1aui s ILE 147 CO -0.05 -0.28 1.14 -0.94 -1.23 0.00 0.00 174.94 173.58 1aui s SER 148 N 1.68 2.38 0.35 3.58 1.04 -1.26 -1.20 113.70 120.27 1aui s SER 148 Ca 0.05 0.82 0.11 0.00 0.48 0.00 0.00 55.95 57.41 1aui s SER 148 Cb -0.19 -1.25 0.66 0.00 0.10 0.00 0.00 66.02 65.34 1aui s SER 148 CO 0.10 -3.24 1.81 0.15 0.98 0.00 0.00 173.24 173.03 1aui h PHE 149 N -1.98 0.10 -0.19 5.02 3.57 -1.99 0.23 116.94 121.70 1aui h PHE 149 Ca -0.49 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.93 1aui h PHE 149 Cb 1.31 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1aui h PHE 149 CO -0.65 0.43 -0.09 0.93 -2.23 0.00 0.00 178.31 176.70 1aui h GLU 150 N 0.08 0.40 -0.50 1.11 4.39 -1.94 0.68 114.58 118.79 1aui h GLU 150 Ca 0.01 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1aui h GLU 150 Cb 0.66 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1aui h GLU 150 CO 0.05 0.69 -0.10 0.93 -1.16 0.00 0.00 179.01 179.43 1aui h GLU 151 N 0.09 0.92 -0.30 2.33 5.08 -1.80 -0.51 114.58 120.39 1aui h GLU 151 Ca 0.04 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1aui h GLU 151 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1aui h GLU 151 CO 0.03 0.97 0.17 0.35 -1.00 0.00 0.00 179.01 179.53 1aui h PHE 152 N 0.83 0.40 -0.34 4.33 3.57 -0.76 -2.91 116.94 122.06 1aui h PHE 152 Ca 0.14 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1aui h PHE 152 Cb 0.62 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1aui h PHE 152 CO 0.04 0.32 0.03 0.00 -2.23 0.00 0.00 178.31 176.46 1aui h ALA 154 N 1.54 1.60 0.02 0.00 0.00 -0.91 0.10 119.26 121.61 1aui h ALA 154 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1aui h ALA 154 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1aui h ALA 154 CO 0.01 0.30 -0.01 0.28 0.00 0.00 0.00 179.25 179.82 1aui h VAL 155 N 0.32 1.36 0.00 0.00 2.07 -1.31 -3.41 116.25 115.28 1aui h VAL 155 Ca 0.08 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1aui h VAL 155 Cb 0.21 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1aui h VAL 155 CO 0.00 0.43 -1.43 1.33 0.02 0.00 0.00 177.57 177.92 1aui n VAL 156 N -4.70 0.08 -0.34 2.57 0.24 -0.83 -4.66 118.33 110.70 1aui n VAL 156 Ca -0.08 -0.31 0.23 0.00 -2.04 0.00 0.00 64.34 62.14 1aui n VAL 156 Cb 0.36 0.28 0.46 0.00 -1.47 0.00 0.00 33.84 33.47 1aui n VAL 156 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1aui h GLY 157 N 4.39 2.05 2.00 7.63 0.00 -1.04 0.02 103.07 118.13 1aui h GLY 157 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1aui h GLY 157 CO 0.00 -0.46 0.00 0.61 0.00 0.00 0.00 176.54 176.69 1aui n GLY 158 N -1.29 -1.22 0.25 4.60 0.00 -1.26 -2.82 105.19 103.45 1aui n GLY 158 Ca 0.31 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.48 1aui n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1aui h LEU 159 N 0.00 0.00 -0.23 0.99 4.07 -1.30 -3.47 115.31 115.36 1aui h LEU 159 Ca 0.00 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.52 1aui h LEU 159 Cb 0.36 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.01 1aui h LEU 159 CO 0.00 0.01 -0.68 0.47 -1.08 0.00 0.00 178.44 177.17 1aui n ASP 160 N -3.11 -4.09 0.23 -0.43 8.00 -1.13 -4.85 116.55 111.18 1aui n ASP 160 Ca 0.02 -0.63 0.15 0.00 0.71 0.00 0.00 54.79 55.04 1aui n ASP 160 Cb 0.41 -3.33 0.58 0.00 -0.02 0.00 0.00 41.12 38.75 1aui n ASP 160 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1aui h ILE 161 N -1.43 0.00 0.00 0.53 1.08 -1.87 -2.60 117.51 113.22 1aui h ILE 161 Ca -0.51 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1aui h ILE 161 Cb 1.34 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 36.53 1aui h ILE 161 CO 0.63 0.00 -0.12 1.12 -0.69 0.00 0.00 178.15 179.09 1aui h HIS 162 N 0.00 0.00 0.00 1.37 2.07 -1.92 -1.44 115.15 115.23 1aui h HIS 162 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1aui h HIS 162 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1aui h HIS 162 CO 0.00 0.12 0.00 0.87 -3.07 0.00 0.00 177.93 175.85 1aui h LYS 163 N 0.00 0.00 -0.01 5.12 1.57 -1.85 -0.98 116.57 120.42 1aui h LYS 163 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aui h LYS 163 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1aui h LYS 163 CO 0.02 0.00 -0.76 1.17 -0.57 0.00 0.00 179.45 179.30 1aui n LYS 164 N -2.72 0.56 -2.87 3.15 4.81 -0.55 -4.59 118.16 115.96 1aui n LYS 164 Ca -0.00 -0.46 -0.43 0.00 -0.87 0.00 0.00 58.31 56.55 1aui n LYS 164 Cb 0.20 -1.49 0.01 0.00 0.02 0.00 0.00 35.03 33.76 1aui n LYS 164 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1aui n MET 165 N -0.83 4.10 -3.71 1.64 2.81 -0.37 -4.88 117.12 115.88 1aui n MET 165 Ca 0.06 -4.24 -0.14 0.00 -1.81 0.00 0.00 57.70 51.57 1aui n MET 165 Cb 0.39 -2.65 -0.14 0.00 -0.71 0.00 0.00 33.22 30.11 1aui n MET 165 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1aui s VAL 166 N -1.58 -0.16 0.28 2.03 1.01 -1.26 -4.58 120.40 116.14 1aui s VAL 166 Ca 0.34 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1aui s VAL 166 Cb 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 1aui s VAL 166 CO 0.05 0.09 -0.10 0.68 0.00 0.00 0.00 175.10 175.83 1aui s VAL 167 N 1.66 1.88 -0.12 2.92 -7.23 -0.40 -5.02 120.40 114.09 1aui s VAL 167 Ca -0.05 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 57.89 1aui s VAL 167 Cb -0.11 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1aui s VAL 167 CO -0.07 -0.35 0.01 -1.81 -0.31 0.00 0.00 175.10 172.57 1aui s ASP 168 N -3.46 5.26 0.00 4.85 1.01 -1.26 -4.26 116.67 118.81 1aui s ASP 168 Ca 0.29 0.08 0.06 0.00 0.71 0.00 0.00 52.55 53.69 1aui s ASP 168 Cb 0.02 -1.67 0.05 0.00 1.01 0.00 0.00 42.92 42.32 1aui s ASP 168 CO 0.12 0.29 0.68 1.33 0.21 0.00 0.00 175.17 177.80