#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ahq s ILE 3 N 0.00 4.17 0.38 -0.61 1.01 -1.26 -4.96 121.20 119.93 1ahq s ILE 3 Ca 0.00 1.58 -0.21 0.00 0.00 0.00 0.00 60.65 62.02 1ahq s ILE 3 Cb 0.00 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 1ahq s ILE 3 CO 0.00 0.13 0.90 0.00 0.00 0.00 0.00 174.94 175.98 1ahq s ALA 4 N 0.95 3.14 -0.10 9.38 0.00 -0.37 -4.87 121.76 129.88 1ahq s ALA 4 Ca 0.57 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1ahq s ALA 4 Cb -0.28 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1ahq s ALA 4 CO 0.29 0.18 0.35 0.08 0.00 0.00 0.00 175.76 176.66 1ahq s VAL 5 N -2.00 5.22 0.41 0.00 1.01 -1.26 0.40 120.40 124.17 1ahq s VAL 5 Ca 0.57 0.68 -0.23 0.00 0.00 0.00 0.00 61.98 63.00 1ahq s VAL 5 Cb -0.12 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1ahq s VAL 5 CO 0.16 0.46 1.02 -0.94 0.00 0.00 0.00 175.10 175.81 1ahq s SER 6 N -0.13 6.77 0.55 3.32 1.04 -0.02 -4.85 113.70 120.39 1ahq s SER 6 Ca 0.20 1.96 0.33 0.00 0.48 0.00 0.00 55.95 58.92 1ahq s SER 6 Cb -0.14 -2.58 1.53 0.00 0.10 0.00 0.00 66.02 64.93 1ahq s SER 6 CO 0.08 -0.48 2.06 0.44 0.98 0.00 0.00 173.24 176.31 1ahq h ASP 7 N 2.34 0.00 0.38 7.02 3.32 -1.97 -1.74 116.42 125.77 1ahq h ASP 7 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1ahq h ASP 7 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1ahq h ASP 7 CO 0.62 0.05 -0.23 -0.78 -1.72 0.00 0.00 179.24 177.18 1ahq h ASP 8 N 0.00 0.00 -0.13 6.45 3.58 -1.94 0.49 116.42 124.87 1ahq h ASP 8 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1ahq h ASP 8 Cb 0.41 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1ahq h ASP 8 CO 0.01 0.23 -0.16 0.00 -2.88 0.00 0.00 179.24 176.43 1ahq h VAL 10 N 0.47 1.46 -0.36 0.00 2.07 -1.10 -2.54 116.25 116.26 1ahq h VAL 10 Ca 0.08 -2.03 0.06 0.00 0.82 0.00 0.00 66.70 65.63 1ahq h VAL 10 Cb 0.56 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.91 1ahq h VAL 10 CO 0.04 0.58 0.05 -0.61 0.02 0.00 0.00 177.57 177.65 1ahq h GLN 11 N -0.21 0.16 -0.55 1.57 5.75 -0.81 0.18 115.11 121.19 1ahq h GLN 11 Ca -0.06 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 1ahq h GLN 11 Cb 1.21 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1ahq h GLN 11 CO 0.10 0.10 -0.03 0.87 -2.65 0.00 0.00 178.83 177.22 1ahq h LYS 12 N 0.16 0.97 -0.81 1.69 6.56 -1.35 0.43 116.57 124.23 1ahq h LYS 12 Ca 0.17 -0.31 -0.04 0.00 -1.06 0.00 0.00 60.65 59.42 1ahq h LYS 12 Cb 0.21 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 1ahq h LYS 12 CO -0.25 0.98 0.36 0.35 -2.06 0.00 0.00 179.45 178.83 1ahq h PHE 13 N 0.89 1.18 -0.45 -1.35 3.57 -1.09 -2.42 116.94 117.27 1ahq h PHE 13 Ca 0.16 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1ahq h PHE 13 Cb 0.56 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1ahq h PHE 13 CO 0.04 0.87 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.98 1ahq h ASN 14 N 1.16 0.80 -0.26 0.41 -0.26 -0.10 -0.02 115.58 117.32 1ahq h ASN 14 Ca 0.27 -0.24 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1ahq h ASN 14 Cb 0.15 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 1ahq h ASN 14 CO -0.03 0.93 -0.03 -0.33 -1.06 0.00 0.00 177.43 176.90 1ahq h GLU 15 N 0.74 0.60 0.26 0.81 5.08 -0.65 0.35 114.58 121.77 1ahq h GLU 15 Ca 0.12 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1ahq h GLU 15 Cb 0.59 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ahq h GLU 15 CO 0.04 0.65 -0.13 1.25 -1.00 0.00 0.00 179.01 179.82 1ahq h LEU 16 N 0.56 -0.30 -0.23 1.33 6.46 -1.17 -0.28 115.31 121.68 1ahq h LEU 16 Ca 0.11 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1ahq h LEU 16 Cb 0.41 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1ahq h LEU 16 CO 0.02 0.19 0.08 0.50 -0.62 0.00 0.00 178.44 178.60 1ahq h LYS 17 N -0.94 0.35 0.15 1.25 3.64 -0.93 0.14 116.57 120.23 1ahq h LYS 17 Ca -0.04 -0.07 -0.33 0.00 -1.27 0.00 0.00 60.65 58.94 1ahq h LYS 17 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1ahq h LYS 17 CO 0.06 0.42 -1.68 -0.07 -2.27 0.00 0.00 179.45 175.91 1ahq h LEU 18 N 0.20 0.51 -1.12 5.20 4.07 -0.45 -3.40 115.31 120.33 1ahq h LEU 18 Ca 0.07 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.28 1ahq h LEU 18 Cb 0.21 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1ahq h LEU 18 CO -0.00 1.64 -0.08 0.61 -1.08 0.00 0.00 178.44 179.52 1ahq n GLY 19 N 1.78 -0.33 2.38 0.83 0.00 -0.20 -4.97 105.19 104.68 1ahq n GLY 19 Ca -0.22 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1ahq n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ahq n HIS 20 N 0.22 -0.71 0.46 1.61 8.25 0.50 -4.84 115.22 120.71 1ahq n HIS 20 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1ahq n HIS 20 Cb 0.23 -3.32 0.46 0.00 1.12 0.00 0.00 29.99 28.48 1ahq n HIS 20 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ahq n GLN 21 N -2.58 0.17 -3.97 -0.41 6.02 -0.81 -4.78 117.38 111.01 1ahq n GLN 21 Ca -0.19 0.36 -0.09 0.00 -0.01 0.00 0.00 57.00 57.06 1ahq n GLN 21 Cb 0.62 -1.80 -0.11 0.00 1.02 0.00 0.00 30.24 29.98 1ahq n GLN 21 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ahq s HIS 22 N -3.23 0.24 -0.01 1.08 3.76 -1.26 -3.97 115.29 111.90 1ahq s HIS 22 Ca 0.06 -0.51 -0.17 0.00 -0.15 0.00 0.00 55.06 54.29 1ahq s HIS 22 Cb 0.10 -0.18 -0.33 0.00 1.11 0.00 0.00 32.58 33.28 1ahq s HIS 22 CO 0.40 -0.24 0.90 -0.09 -0.85 0.00 0.00 174.74 174.86 1ahq h ARG 23 N 4.33 0.44 -3.14 1.40 9.65 -0.12 -3.43 114.38 123.51 1ahq h ARG 23 Ca -0.32 -0.75 -0.02 0.00 -1.10 0.00 0.00 59.98 57.79 1ahq h ARG 23 Cb 1.20 0.28 -0.12 0.00 -1.39 0.00 0.00 29.97 29.94 1ahq h ARG 23 CO 0.44 1.36 0.12 1.52 2.80 0.00 0.00 179.97 186.21 1ahq s TYR 24 N -2.54 -0.38 -0.03 2.20 -0.85 -1.19 -0.78 117.35 113.77 1ahq s TYR 24 Ca -0.12 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1ahq s TYR 24 Cb 0.03 0.47 0.02 0.00 0.38 0.00 0.00 41.96 42.86 1ahq s TYR 24 CO 0.89 -0.84 -0.02 0.08 -1.52 0.00 0.00 175.55 174.14 1ahq s VAL 25 N -3.79 0.28 0.11 -3.49 1.01 0.06 -0.08 120.40 114.50 1ahq s VAL 25 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1ahq s VAL 25 Cb -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1ahq s VAL 25 CO -0.10 0.15 0.01 -0.89 0.00 0.00 0.00 175.10 174.26 1ahq s THR 26 N 0.72 3.96 0.04 3.92 2.01 -0.54 -0.71 115.64 125.04 1ahq s THR 26 Ca -0.08 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 60.85 1ahq s THR 26 Cb -0.11 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1ahq s THR 26 CO -0.01 0.05 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.52 1ahq s PHE 27 N -1.43 0.84 0.13 4.92 0.08 -0.49 -0.71 117.98 121.31 1ahq s PHE 27 Ca 0.26 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 1ahq s PHE 27 Cb -0.11 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.82 1ahq s PHE 27 CO 0.19 -0.02 0.18 -1.59 -0.10 0.00 0.00 175.22 173.87 1ahq s LYS 28 N -1.27 0.97 0.77 0.44 -2.85 -0.12 -2.04 119.74 115.63 1ahq s LYS 28 Ca -0.04 -1.18 -0.11 0.00 -1.00 0.00 0.00 55.97 53.64 1ahq s LYS 28 Cb -0.08 0.32 0.06 0.00 -2.06 0.00 0.00 37.83 36.07 1ahq s LYS 28 CO 0.01 -0.32 1.09 -1.64 0.10 0.00 0.00 175.35 174.59 1ahq s MET 29 N -3.95 2.25 0.18 1.78 -1.94 -1.26 0.45 119.30 116.80 1ahq s MET 29 Ca 0.14 1.18 -0.02 0.00 -1.71 0.00 0.00 55.69 55.28 1ahq s MET 29 Cb 0.05 -1.90 0.04 0.00 2.01 0.00 0.00 34.83 35.03 1ahq s MET 29 CO -0.03 -1.65 0.24 0.27 -0.01 0.00 0.00 175.02 173.83 1ahq n ASN 30 N -3.51 0.11 0.01 3.03 6.94 0.35 -4.63 115.26 117.56 1ahq n ASN 30 Ca 0.09 -1.14 -0.01 0.00 -0.02 0.00 0.00 54.58 53.50 1ahq n ASN 30 Cb 0.53 -0.18 0.27 0.00 -2.36 0.00 0.00 39.78 38.04 1ahq n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ahq h ALA 31 N -1.42 1.28 -0.07 -2.53 0.00 -1.97 -2.51 119.26 112.04 1ahq h ALA 31 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ahq h ALA 31 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ahq h ALA 31 CO 0.06 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.66 1ahq n SER 32 N -4.22 1.65 -3.02 0.00 3.41 -1.26 -4.91 113.62 105.26 1ahq n SER 32 Ca 0.01 -1.59 -0.22 0.00 -0.26 0.00 0.00 58.87 56.81 1ahq n SER 32 Cb 0.30 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1ahq n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ahq n ASN 33 N 0.29 -5.21 -0.00 4.04 3.02 -0.95 -4.86 115.26 111.59 1ahq n ASN 33 Ca 0.18 -0.25 0.09 0.00 -0.03 0.00 0.00 54.58 54.56 1ahq n ASN 33 Cb 0.36 -4.26 -0.12 0.00 -0.61 0.00 0.00 39.78 35.15 1ahq n ASN 33 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ahq n THR 34 N -4.21 0.00 -3.65 3.41 -2.24 -1.26 -4.85 114.28 101.48 1ahq n THR 34 Ca -0.10 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1ahq n THR 34 Cb 0.60 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 1ahq n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ahq s GLU 35 N -2.96 0.76 -0.01 -0.78 2.12 -1.26 -1.24 118.70 115.34 1ahq s GLU 35 Ca 0.00 0.54 -0.20 0.00 0.36 0.00 0.00 54.97 55.68 1ahq s GLU 35 Cb 0.13 0.36 -0.05 0.00 0.26 0.00 0.00 34.13 34.83 1ahq s GLU 35 CO 0.75 -0.15 0.56 0.54 -0.54 0.00 0.00 175.26 176.42 1ahq s VAL 36 N -0.26 4.95 0.36 3.70 0.11 0.16 -0.50 120.40 128.92 1ahq s VAL 36 Ca -0.04 1.17 0.09 0.00 -2.93 0.00 0.00 61.98 60.26 1ahq s VAL 36 Cb -0.03 -3.89 -0.07 0.00 -1.53 0.00 0.00 36.38 30.85 1ahq s VAL 36 CO 0.03 0.43 -0.07 0.68 -3.33 0.00 0.00 175.10 172.85 1ahq s VAL 37 N -0.22 2.16 0.44 2.04 -7.23 0.17 -0.84 120.40 116.92 1ahq s VAL 37 Ca 0.30 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1ahq s VAL 37 Cb -0.18 -2.74 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 1ahq s VAL 37 CO 0.16 -0.15 1.04 -0.69 -0.31 0.00 0.00 175.10 175.16 1ahq s VAL 38 N -2.64 3.76 0.09 1.32 1.01 -1.26 -0.95 120.40 121.72 1ahq s VAL 38 Ca 0.33 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1ahq s VAL 38 Cb 0.05 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ahq s VAL 38 CO 0.17 -0.10 0.00 1.21 0.00 0.00 0.00 175.10 176.38 1ahq n GLU 39 N -0.46 0.00 -3.90 2.72 2.13 0.11 -4.74 120.64 116.50 1ahq n GLU 39 Ca 0.07 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.61 1ahq n GLU 39 Cb 0.51 -0.47 -0.17 0.00 0.27 0.00 0.00 31.44 31.59 1ahq n GLU 39 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1ahq s HIS 40 N -2.00 1.63 -0.54 4.31 3.76 -1.15 -4.98 115.29 116.33 1ahq s HIS 40 Ca 0.00 -0.94 -0.18 0.00 -0.15 0.00 0.00 55.06 53.79 1ahq s HIS 40 Cb 0.00 -1.29 0.09 0.00 1.11 0.00 0.00 32.58 32.49 1ahq s HIS 40 CO 0.00 -0.58 0.60 0.08 -0.85 0.00 0.00 174.74 173.99 1ahq s VAL 41 N 1.66 4.97 -0.05 -0.90 1.01 -1.26 -1.47 120.40 124.35 1ahq s VAL 41 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1ahq s VAL 41 Cb -0.14 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1ahq s VAL 41 CO -0.08 -0.90 1.01 -0.83 0.00 0.00 0.00 175.10 174.30 1ahq s GLY 42 N 3.19 2.58 0.97 4.51 0.00 0.88 -5.00 107.32 114.44 1ahq s GLY 42 Ca 0.10 0.47 -0.14 0.00 0.00 0.00 0.00 44.72 45.15 1ahq s GLY 42 CO 0.07 1.84 1.16 -0.32 0.00 0.00 0.00 173.10 175.86 1ahq s GLY 43 N 1.08 1.61 0.55 0.20 0.00 -1.26 -0.11 107.32 109.38 1ahq s GLY 43 Ca 0.51 -0.70 0.24 0.00 0.00 0.00 0.00 44.72 44.77 1ahq s GLY 43 CO 0.23 -0.05 2.09 -0.56 0.00 0.00 0.00 173.10 174.80 1ahq h PRO 44 N -1.70 0.00 -0.26 2.90 0.13 -1.83 -2.41 132.00 128.83 1ahq h PRO 44 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ahq h PRO 44 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ahq h PRO 44 CO 0.54 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 1ahq n ASN 45 N -4.20 2.48 -4.77 1.44 5.03 -1.26 -4.63 115.26 109.35 1ahq n ASN 45 Ca 0.03 -1.85 -0.37 0.00 0.87 0.00 0.00 54.58 53.26 1ahq n ASN 45 Cb 0.33 -0.16 -0.01 0.00 -1.02 0.00 0.00 39.78 38.92 1ahq n ASN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ahq s ALA 46 N -1.67 2.99 0.49 5.41 0.00 -0.94 -5.02 121.76 123.01 1ahq s ALA 46 Ca 0.35 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1ahq s ALA 46 Cb 0.20 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1ahq s ALA 46 CO 0.29 -0.60 0.71 0.95 0.00 0.00 0.00 175.76 177.10 1ahq s THR 47 N -1.56 3.36 0.45 0.00 -4.23 -1.26 -4.91 115.64 107.49 1ahq s THR 47 Ca 0.63 -0.61 0.17 0.00 -1.18 0.00 0.00 61.69 60.70 1ahq s THR 47 Cb -0.28 -3.24 0.21 0.00 1.34 0.00 0.00 72.50 70.53 1ahq s THR 47 CO 0.34 -0.17 2.02 0.22 -0.54 0.00 0.00 174.62 176.49 1ahq h TYR 48 N 0.28 0.00 -0.54 3.99 3.20 -2.00 -2.00 116.97 119.89 1ahq h TYR 48 Ca -0.44 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.35 1ahq h TYR 48 Cb 1.27 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 1ahq h TYR 48 CO 0.41 0.17 0.04 1.49 -1.64 0.00 0.00 178.16 178.63 1ahq h GLU 49 N 0.00 0.93 -0.69 1.82 4.57 -1.99 -0.38 114.58 118.84 1ahq h GLU 49 Ca -0.00 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 57.98 1ahq h GLU 49 Cb 0.31 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1ahq h GLU 49 CO 0.02 0.92 0.37 -0.44 -1.18 0.00 0.00 179.01 178.70 1ahq h ASP 50 N 0.81 0.51 0.52 1.04 3.32 -1.74 -0.79 116.42 120.09 1ahq h ASP 50 Ca 0.16 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1ahq h ASP 50 Cb 0.48 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.98 1ahq h ASP 50 CO 0.02 0.32 -0.25 0.15 -1.72 0.00 0.00 179.24 177.76 1ahq h PHE 51 N 0.65 -0.64 0.57 4.55 3.57 -1.28 -3.32 116.94 121.04 1ahq h PHE 51 Ca 0.32 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1ahq h PHE 51 Cb 0.27 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1ahq h PHE 51 CO -0.09 -0.34 -0.43 -0.22 -2.23 0.00 0.00 178.31 175.00 1ahq h LYS 52 N -0.85 -0.94 -0.16 1.11 3.64 -0.67 -3.13 116.57 115.57 1ahq h LYS 52 Ca -0.07 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ahq h LYS 52 Cb 0.60 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1ahq h LYS 52 CO 0.12 -0.63 0.36 0.66 -2.27 0.00 0.00 179.45 177.68 1ahq h SER 53 N -0.98 0.00 -0.04 4.20 4.64 -1.31 0.37 113.55 120.44 1ahq h SER 53 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1ahq h SER 53 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1ahq h SER 53 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1ahq n GLN 54 N -3.25 1.81 -2.53 4.77 1.13 -1.18 -4.89 117.38 113.24 1ahq n GLN 54 Ca 0.02 -1.18 -0.42 0.00 -1.94 0.00 0.00 57.00 53.47 1ahq n GLN 54 Cb 0.46 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.31 1ahq n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ahq s LEU 55 N -1.95 4.30 0.15 1.08 1.43 0.12 -4.97 118.68 118.84 1ahq s LEU 55 Ca 0.36 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 1ahq s LEU 55 Cb 0.21 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.75 1ahq s LEU 55 CO 0.32 -0.49 1.80 -2.16 0.23 0.00 0.00 176.35 176.05 1ahq s PRO 56 N 1.79 4.13 0.34 1.29 0.04 -1.26 -4.90 135.00 136.43 1ahq s PRO 56 Ca 0.54 2.60 0.09 0.00 0.04 0.00 0.00 61.00 64.27 1ahq s PRO 56 Cb -0.24 -3.43 0.61 0.00 0.04 0.00 0.00 34.50 31.48 1ahq s PRO 56 CO 0.23 -0.81 1.79 0.93 0.04 0.00 0.00 177.00 179.18 1ahq h GLU 57 N 8.04 0.16 -0.49 4.56 5.08 -1.97 -3.27 114.58 126.70 1ahq h GLU 57 Ca -0.45 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 57.51 1ahq h GLU 57 Cb 1.21 -0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 1ahq h GLU 57 CO 0.95 0.49 -0.49 0.54 -1.00 0.00 0.00 179.01 179.50 1ahq n ARG 58 N -4.10 2.67 -3.61 2.33 1.74 -1.26 -4.57 116.66 109.86 1ahq n ARG 58 Ca -0.01 -3.70 -0.13 0.00 -0.77 0.00 0.00 57.85 53.24 1ahq n ARG 58 Cb 0.41 -2.01 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 1ahq n ARG 58 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ahq s ASP 59 N -3.20 -0.35 0.37 0.55 2.15 -1.23 -4.25 116.67 110.71 1ahq s ASP 59 Ca 0.47 -0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.45 1ahq s ASP 59 Cb 0.41 0.47 -0.02 0.00 -0.30 0.00 0.00 42.92 43.48 1ahq s ASP 59 CO -0.00 -0.75 0.58 0.00 -0.17 0.00 0.00 175.17 174.82 1ahq s ARG 61 N -4.37 1.65 0.28 0.00 1.81 -0.14 -4.93 118.95 113.25 1ahq s ARG 61 Ca 0.42 -1.04 0.08 0.00 -1.72 0.00 0.00 55.73 53.48 1ahq s ARG 61 Cb -0.10 0.56 -0.06 0.00 -0.45 0.00 0.00 34.95 34.90 1ahq s ARG 61 CO 0.36 -0.73 -0.11 0.71 -0.68 0.00 0.00 175.30 174.85 1ahq s TYR 62 N -3.94 2.07 0.00 -0.53 2.02 -0.87 -0.74 117.35 115.37 1ahq s TYR 62 Ca 0.14 -0.56 -0.28 0.00 -0.37 0.00 0.00 57.07 56.00 1ahq s TYR 62 Cb -0.04 -1.09 0.08 0.00 -0.40 0.00 0.00 41.96 40.51 1ahq s TYR 62 CO 0.06 0.45 0.70 0.00 -1.57 0.00 0.00 175.55 175.18 1ahq s ALA 63 N -2.82 -1.74 -0.11 3.71 0.00 -0.49 -1.40 121.76 118.92 1ahq s ALA 63 Ca 0.29 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.37 1ahq s ALA 63 Cb 0.01 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1ahq s ALA 63 CO 0.13 -0.50 -0.22 0.42 0.00 0.00 0.00 175.76 175.59 1ahq s ILE 64 N -2.04 1.92 -0.21 0.00 -1.09 0.12 -0.67 121.20 119.23 1ahq s ILE 64 Ca -0.06 -0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 1ahq s ILE 64 Cb -0.00 -1.68 0.06 0.00 -1.58 0.00 0.00 42.46 39.25 1ahq s ILE 64 CO 0.01 0.53 -0.02 0.12 -1.23 0.00 0.00 174.94 174.35 1ahq s PHE 65 N 0.54 1.78 -1.18 3.97 2.19 0.58 -0.76 117.98 125.09 1ahq s PHE 65 Ca -0.15 -1.31 -0.21 0.00 0.33 0.00 0.00 56.93 55.59 1ahq s PHE 65 Cb -0.17 -1.33 0.01 0.00 -1.31 0.00 0.00 43.02 40.22 1ahq s PHE 65 CO 0.05 -0.69 1.76 0.34 1.83 0.00 0.00 175.22 178.51 1ahq s ASP 66 N 1.60 6.13 0.13 6.13 2.15 0.04 -1.54 116.67 131.31 1ahq s ASP 66 Ca -0.03 -1.89 -0.31 0.00 0.43 0.00 0.00 52.55 50.75 1ahq s ASP 66 Cb -0.18 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 39.78 1ahq s ASP 66 CO -0.07 -1.90 1.45 -0.47 -0.17 0.00 0.00 175.17 174.01 1ahq s TYR 67 N 6.77 3.17 -0.06 -5.34 6.14 0.05 -4.77 117.35 123.31 1ahq s TYR 67 Ca 0.58 0.83 -0.01 0.00 0.64 0.00 0.00 57.07 59.11 1ahq s TYR 67 Cb 0.01 -3.77 -0.04 0.00 0.42 0.00 0.00 41.96 38.58 1ahq s TYR 67 CO 0.05 -2.76 0.03 -1.83 0.64 0.00 0.00 175.55 171.68 1ahq s GLU 68 N 1.14 2.99 0.06 4.97 1.03 -1.26 -0.65 118.70 126.98 1ahq s GLU 68 Ca 0.67 -0.44 0.02 0.00 0.03 0.00 0.00 54.97 55.24 1ahq s GLU 68 Cb -0.39 -2.81 -0.03 0.00 -0.80 0.00 0.00 34.13 30.09 1ahq s GLU 68 CO 0.31 0.68 -0.07 -0.06 -1.33 0.00 0.00 175.26 174.79 1ahq s PHE 69 N -1.00 0.74 -0.64 4.83 0.08 0.10 -4.99 117.98 117.10 1ahq s PHE 69 Ca 0.17 -0.67 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 1ahq s PHE 69 Cb -0.12 -0.44 0.16 0.00 -0.57 0.00 0.00 43.02 42.06 1ahq s PHE 69 CO 0.06 -0.12 0.46 -0.65 -0.10 0.00 0.00 175.22 174.87 1ahq s GLN 70 N -2.49 2.61 -0.04 0.44 -1.52 -1.26 -1.68 119.66 115.71 1ahq s GLN 70 Ca -0.01 -2.58 -0.02 0.00 -1.95 0.00 0.00 55.36 50.80 1ahq s GLN 70 Cb -0.04 -3.74 0.03 0.00 -0.22 0.00 0.00 33.01 29.03 1ahq s GLN 70 CO -0.02 -1.18 0.08 0.08 -0.25 0.00 0.00 175.29 174.00 1ahq s VAL 71 N -0.15 -0.04 0.00 1.09 1.01 -0.01 -4.98 120.40 117.33 1ahq s VAL 71 Ca 0.18 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ahq s VAL 71 Cb -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1ahq s VAL 71 CO -0.04 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.45 1ahq n ASP 72 N 3.83 0.00 -2.61 3.32 2.03 -1.26 -1.97 116.55 119.89 1ahq n ASP 72 Ca -0.23 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.93 1ahq n ASP 72 Cb 0.54 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.86 1ahq n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ahq n GLY 73 N 0.00 2.77 1.17 0.27 0.00 -1.26 -4.88 105.19 103.27 1ahq n GLY 73 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ahq n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ahq n GLY 74 N 3.12 0.97 2.94 -0.02 0.00 -0.83 -4.68 105.19 106.69 1ahq n GLY 74 Ca 0.39 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1ahq n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ahq s GLN 75 N 0.00 1.65 0.24 1.61 1.11 -1.26 -0.83 119.66 122.19 1ahq s GLN 75 Ca 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 55.36 54.44 1ahq s GLN 75 Cb 0.00 -2.55 -0.03 0.00 -1.01 0.00 0.00 33.01 29.42 1ahq s GLN 75 CO 0.00 -0.57 0.40 1.03 0.01 0.00 0.00 175.29 176.16 1ahq s ARG 76 N 1.41 3.47 -0.05 2.91 1.81 -0.68 -4.89 118.95 122.93 1ahq s ARG 76 Ca -0.05 -0.52 0.02 0.00 -1.72 0.00 0.00 55.73 53.46 1ahq s ARG 76 Cb -0.18 -2.83 0.01 0.00 -0.45 0.00 0.00 34.95 31.50 1ahq s ARG 76 CO -0.06 0.37 -0.11 -0.80 -0.68 0.00 0.00 175.30 174.01 1ahq s ASN 77 N -3.67 1.63 -0.16 0.23 0.02 -1.26 -0.72 114.94 111.00 1ahq s ASN 77 Ca 0.37 -0.27 0.00 0.00 -1.02 0.00 0.00 52.86 51.94 1ahq s ASN 77 Cb -0.10 -0.68 0.03 0.00 0.02 0.00 0.00 41.25 40.52 1ahq s ASN 77 CO 0.31 0.04 -0.11 -0.54 0.02 0.00 0.00 177.10 176.82 1ahq s LYS 78 N 0.55 1.97 -0.67 -0.60 -0.14 0.18 -4.98 119.74 116.05 1ahq s LYS 78 Ca -0.11 -0.61 -0.27 0.00 -1.36 0.00 0.00 55.97 53.61 1ahq s LYS 78 Cb -0.14 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 33.90 1ahq s LYS 78 CO 0.03 -0.34 1.32 0.42 -0.76 0.00 0.00 175.35 176.02 1ahq s ILE 79 N 1.51 3.76 -0.26 2.17 1.01 -1.26 -0.77 121.20 127.35 1ahq s ILE 79 Ca 0.02 0.53 -0.09 0.00 0.00 0.00 0.00 60.65 61.11 1ahq s ILE 79 Cb -0.14 -4.75 -0.04 0.00 0.01 0.00 0.00 42.46 37.54 1ahq s ILE 79 CO -0.09 -1.59 0.12 -0.89 0.00 0.00 0.00 174.94 172.49 1ahq s THR 80 N 5.87 4.75 -0.14 2.92 2.01 -0.59 0.26 115.64 130.72 1ahq s THR 80 Ca 0.41 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.23 1ahq s THR 80 Cb -0.09 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1ahq s THR 80 CO 0.19 0.30 0.39 0.12 -0.69 0.00 0.00 174.62 174.92 1ahq s PHE 81 N 1.68 3.49 -0.07 4.92 5.36 0.50 -0.31 117.98 133.55 1ahq s PHE 81 Ca 0.07 0.74 0.05 0.00 -0.96 0.00 0.00 56.93 56.83 1ahq s PHE 81 Cb -0.16 -2.45 -0.00 0.00 -0.34 0.00 0.00 43.02 40.07 1ahq s PHE 81 CO 0.07 0.21 -0.23 0.42 -1.46 0.00 0.00 175.22 174.23 1ahq s ILE 82 N 0.53 1.91 -0.25 3.12 1.01 0.15 -1.60 121.20 126.08 1ahq s ILE 82 Ca 0.21 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1ahq s ILE 82 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1ahq s ILE 82 CO 0.07 0.53 0.12 -0.22 0.00 0.00 0.00 174.94 175.44 1ahq s LEU 83 N 0.10 3.78 -0.35 2.97 0.20 -0.49 -1.39 118.68 123.50 1ahq s LEU 83 Ca -0.10 -0.05 -0.09 0.00 0.69 0.00 0.00 54.13 54.58 1ahq s LEU 83 Cb -0.15 -2.02 0.03 0.00 -0.43 0.00 0.00 46.19 43.62 1ahq s LEU 83 CO 0.05 0.01 0.15 0.86 -0.29 0.00 0.00 176.35 177.14 1ahq s TRP 84 N 1.38 3.24 -0.41 5.38 -0.00 0.08 -1.24 118.94 127.36 1ahq s TRP 84 Ca 0.06 -1.12 0.03 0.00 -0.00 0.00 0.00 56.10 55.08 1ahq s TRP 84 Cb -0.15 -2.36 0.16 0.00 -0.00 0.00 0.00 33.47 31.13 1ahq s TRP 84 CO 0.06 -0.66 0.32 0.00 -0.00 0.00 0.00 176.95 176.67 1ahq s ALA 85 N 1.49 1.39 0.22 5.86 0.00 -0.63 -0.97 121.76 129.14 1ahq s ALA 85 Ca 0.01 -2.40 -0.30 0.00 0.00 0.00 0.00 51.96 49.27 1ahq s ALA 85 Cb -0.19 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 1ahq s ALA 85 CO 0.05 -2.00 1.40 -1.25 0.00 0.00 0.00 175.76 173.96 1ahq s PRO 86 N 0.18 4.31 0.59 0.00 0.04 -1.26 -4.15 135.00 134.71 1ahq s PRO 86 Ca 0.30 2.21 0.23 0.00 0.04 0.00 0.00 61.00 63.79 1ahq s PRO 86 Cb -0.01 -3.14 1.26 0.00 0.04 0.00 0.00 34.50 32.65 1ahq s PRO 86 CO -0.16 -0.37 1.69 -0.44 0.04 0.00 0.00 177.00 177.75 1ahq h ASP 87 N 5.27 0.00 -0.40 6.66 3.32 -1.83 0.15 116.42 129.60 1ahq h ASP 87 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1ahq h ASP 87 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ahq h ASP 87 CO 0.78 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 177.10 1ahq n SER 88 N -2.66 2.30 -4.85 6.45 7.64 -1.26 -4.90 113.62 116.35 1ahq n SER 88 Ca -0.02 -1.95 -0.32 0.00 1.01 0.00 0.00 58.87 57.59 1ahq n SER 88 Cb 0.43 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1ahq n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ahq s ALA 89 N -1.48 3.14 0.63 -0.43 0.00 0.54 -4.68 121.76 119.49 1ahq s ALA 89 Ca 0.30 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 1ahq s ALA 89 Cb 0.16 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1ahq s ALA 89 CO 0.22 -0.09 1.13 -2.14 0.00 0.00 0.00 175.76 174.87 1ahq s PRO 90 N -3.82 2.89 0.34 0.00 0.02 -1.26 -4.80 135.00 128.37 1ahq s PRO 90 Ca 0.57 1.52 0.08 0.00 0.02 0.00 0.00 61.00 63.19 1ahq s PRO 90 Cb -0.10 -1.95 0.80 0.00 0.02 0.00 0.00 34.50 33.27 1ahq s PRO 90 CO 0.28 -1.20 1.83 -0.84 -0.33 0.00 0.00 177.00 176.74 1ahq h ILE 91 N 0.36 0.78 -0.40 2.83 3.07 -1.95 0.20 117.51 122.40 1ahq h ILE 91 Ca -0.48 -0.24 -0.01 0.00 1.55 0.00 0.00 64.86 65.67 1ahq h ILE 91 Cb 1.26 0.01 -0.02 0.00 -0.27 0.00 0.00 36.82 37.80 1ahq h ILE 91 CO 0.54 0.13 0.20 0.50 -1.05 0.00 0.00 178.15 178.48 1ahq h LYS 92 N 0.71 0.57 -0.48 0.16 3.64 -1.99 0.23 116.57 119.41 1ahq h LYS 92 Ca 0.50 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.76 1ahq h LYS 92 Cb 0.82 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1ahq h LYS 92 CO -0.26 0.49 0.13 1.03 -2.27 0.00 0.00 179.45 178.58 1ahq h SER 93 N 0.51 0.71 0.67 4.20 0.87 -1.38 -1.43 113.55 117.71 1ahq h SER 93 Ca 0.14 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1ahq h SER 93 Cb 0.10 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1ahq h SER 93 CO -0.02 0.74 -0.35 0.11 -0.53 0.00 0.00 176.83 176.78 1ahq h LYS 94 N 0.64 -0.91 -0.62 2.24 1.57 -0.90 -2.30 116.57 116.30 1ahq h LYS 94 Ca 0.15 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 1ahq h LYS 94 Cb 0.30 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 1ahq h LYS 94 CO -0.00 -0.61 -0.03 0.52 -0.57 0.00 0.00 179.45 178.76 1ahq h MET 95 N -0.94 0.09 0.50 3.15 2.86 -0.41 -0.41 114.93 119.76 1ahq h MET 95 Ca -0.09 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1ahq h MET 95 Cb 0.74 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1ahq h MET 95 CO 0.13 0.06 -0.24 0.52 1.06 0.00 0.00 176.91 178.44 1ahq h MET 96 N 0.09 -0.65 -0.11 1.72 2.86 -1.14 0.11 114.93 117.81 1ahq h MET 96 Ca 0.32 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1ahq h MET 96 Cb 0.52 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1ahq h MET 96 CO -0.55 -0.41 0.06 1.88 1.06 0.00 0.00 176.91 178.94 1ahq h TYR 97 N -0.71 0.16 0.24 -0.22 -1.99 -1.15 -2.15 116.97 111.15 1ahq h TYR 97 Ca -0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1ahq h TYR 97 Cb 0.53 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 1ahq h TYR 97 CO -0.03 0.19 -0.23 1.15 -0.00 0.00 0.00 178.16 179.24 1ahq h THR 98 N 0.08 0.51 0.00 -2.88 2.02 -1.08 -2.38 112.91 109.18 1ahq h THR 98 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ahq h THR 98 Cb 0.09 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1ahq h THR 98 CO -0.01 0.00 0.10 0.77 0.37 0.00 0.00 175.52 176.75 1ahq h SER 99 N -0.50 0.00 -0.23 4.18 4.64 -0.63 -2.41 113.55 118.60 1ahq h SER 99 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ahq h SER 99 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ahq h SER 99 CO -0.05 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.32 1ahq n THR 100 N -3.01 1.34 -0.21 2.95 -1.04 -0.82 -4.74 114.28 108.75 1ahq n THR 100 Ca -0.03 -1.28 -0.09 0.00 -2.04 0.00 0.00 64.05 60.61 1ahq n THR 100 Cb 0.16 0.28 0.02 0.00 -1.82 0.00 0.00 70.33 68.98 1ahq n THR 100 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1ahq h LYS 101 N 1.41 1.04 -0.88 -2.82 2.10 -0.94 -3.20 116.57 113.28 1ahq h LYS 101 Ca 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1ahq h LYS 101 Cb 0.86 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 32.05 1ahq h LYS 101 CO 0.05 1.03 0.56 -0.44 -2.00 0.00 0.00 179.45 178.65 1ahq h ASP 102 N 0.94 1.03 0.48 7.07 3.32 -1.85 -1.12 116.42 126.28 1ahq h ASP 102 Ca 0.17 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ahq h ASP 102 Cb 0.56 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ahq h ASP 102 CO 0.03 0.76 -0.23 0.28 -1.72 0.00 0.00 179.24 178.36 1ahq h SER 103 N 1.20 -0.54 -0.99 6.45 0.02 -1.91 0.44 113.55 118.22 1ahq h SER 103 Ca 0.32 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1ahq h SER 103 Cb -0.11 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 1ahq h SER 103 CO -0.07 -0.37 0.65 -0.29 -1.14 0.00 0.00 176.83 175.61 1ahq h ILE 104 N -0.66 1.18 -0.81 3.27 2.10 -1.55 0.70 117.51 121.74 1ahq h ILE 104 Ca -0.07 -0.43 -0.01 0.00 1.08 0.00 0.00 64.86 65.43 1ahq h ILE 104 Cb 0.50 -0.19 -0.04 0.00 -1.09 0.00 0.00 36.82 36.00 1ahq h ILE 104 CO 0.11 0.23 0.45 0.11 -1.08 0.00 0.00 178.15 177.97 1ahq h LYS 105 N 1.26 1.13 0.00 2.19 1.57 -0.86 -0.11 116.57 121.76 1ahq h LYS 105 Ca 0.39 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1ahq h LYS 105 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1ahq h LYS 105 CO -0.12 0.83 -0.47 0.87 -0.57 0.00 0.00 179.45 179.99 1ahq h LYS 106 N 1.13 0.00 -0.09 3.15 1.57 -0.15 -2.88 116.57 119.31 1ahq h LYS 106 Ca 0.29 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1ahq h LYS 106 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1ahq h LYS 106 CO -0.05 0.47 -0.64 0.87 -0.57 0.00 0.00 179.45 179.53 1ahq h LYS 107 N 0.00 0.33 -2.74 3.15 1.79 -0.41 -3.33 116.57 115.36 1ahq h LYS 107 Ca -0.00 -0.24 -0.76 0.00 -2.18 0.00 0.00 60.65 57.47 1ahq h LYS 107 Cb 1.24 0.04 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 1ahq h LYS 107 CO 0.06 0.86 2.12 1.28 -1.08 0.00 0.00 179.45 182.69 1ahq n LEU 108 N -3.87 7.67 -4.63 2.94 4.32 -0.10 -4.97 117.00 118.37 1ahq n LEU 108 Ca -0.03 -4.92 -0.44 0.00 -0.02 0.00 0.00 56.01 50.60 1ahq n LEU 108 Cb 0.64 -1.35 -0.04 0.00 -1.62 0.00 0.00 43.42 41.05 1ahq n LEU 108 CO 0.46 1.93 1.68 0.52 -1.22 0.00 0.00 177.39 180.76 1ahq n VAL 109 N 1.77 0.57 0.00 4.08 0.31 -1.25 -2.78 118.33 121.03 1ahq n VAL 109 Ca 0.55 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1ahq n VAL 109 Cb 0.27 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1ahq n VAL 109 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ahq n GLY 110 N 5.03 0.39 3.71 2.92 0.00 -1.26 -5.08 105.19 110.89 1ahq n GLY 110 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1ahq n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ahq s ILE 111 N -1.33 2.20 0.00 -0.61 -1.09 -1.12 -4.76 121.20 114.50 1ahq s ILE 111 Ca 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1ahq s ILE 111 Cb 0.00 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.24 1ahq s ILE 111 CO 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 174.94 173.66 1ahq n GLN 112 N -2.87 2.71 -3.77 2.79 6.02 0.14 -4.96 117.38 117.43 1ahq n GLN 112 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.00 1ahq n GLN 112 Cb 0.50 -0.75 -0.12 0.00 1.02 0.00 0.00 30.24 30.89 1ahq n GLN 112 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ahq s VAL 113 N -1.15 -0.01 0.04 5.09 1.01 -0.80 -4.93 120.40 119.66 1ahq s VAL 113 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1ahq s VAL 113 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1ahq s VAL 113 CO 0.00 0.01 -0.22 -1.61 0.00 0.00 0.00 175.10 173.29 1ahq s GLU 114 N 0.41 1.46 -0.01 2.72 2.02 -1.26 -0.37 118.70 123.67 1ahq s GLU 114 Ca -0.02 -0.97 -0.09 0.00 0.02 0.00 0.00 54.97 53.90 1ahq s GLU 114 Cb -0.04 -1.59 0.01 0.00 0.10 0.00 0.00 34.13 32.61 1ahq s GLU 114 CO -0.02 0.41 0.18 0.14 0.02 0.00 0.00 175.26 175.99 1ahq s VAL 115 N -0.80 0.07 -0.14 2.63 -7.23 -0.63 -4.95 120.40 109.35 1ahq s VAL 115 Ca 0.08 -0.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1ahq s VAL 115 Cb -0.09 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1ahq s VAL 115 CO 0.02 -0.33 -0.20 -1.58 -0.31 0.00 0.00 175.10 172.69 1ahq s GLN 116 N -1.29 3.08 -0.15 4.82 0.74 -1.26 -1.40 119.66 124.20 1ahq s GLN 116 Ca -0.14 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.46 1ahq s GLN 116 Cb -0.07 -2.46 0.01 0.00 1.10 0.00 0.00 33.01 31.59 1ahq s GLN 116 CO 0.02 0.03 -0.21 0.00 -0.55 0.00 0.00 175.29 174.58 1ahq s ALA 117 N 0.72 2.27 -0.76 1.58 0.00 -0.37 -4.95 121.76 120.25 1ahq s ALA 117 Ca -0.09 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1ahq s ALA 117 Cb -0.16 -1.05 0.13 0.00 0.00 0.00 0.00 23.12 22.04 1ahq s ALA 117 CO 0.01 -0.12 0.95 0.25 0.00 0.00 0.00 175.76 176.84 1ahq n THR 118 N 4.23 0.50 -3.83 0.00 -2.24 -1.26 -1.60 114.28 110.07 1ahq n THR 118 Ca -0.20 -0.75 -0.06 0.00 -2.27 0.00 0.00 64.05 60.77 1ahq n THR 118 Cb 0.51 0.83 0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1ahq n THR 118 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ahq s ASP 119 N -0.80 -0.04 0.19 3.42 1.47 -1.26 -2.44 116.67 117.21 1ahq s ASP 119 Ca 0.12 -0.84 -0.12 0.00 1.18 0.00 0.00 52.55 52.89 1ahq s ASP 119 Cb 0.07 0.67 0.22 0.00 -0.34 0.00 0.00 42.92 43.54 1ahq s ASP 119 CO 0.10 -1.31 1.72 0.00 0.68 0.00 0.00 175.17 176.36 1ahq h ALA 120 N 2.00 0.64 -0.04 2.11 0.00 -1.97 -1.29 119.26 120.71 1ahq h ALA 120 Ca -0.28 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1ahq h ALA 120 Cb 1.24 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1ahq h ALA 120 CO 0.36 -0.27 -0.53 0.00 0.00 0.00 0.00 179.25 178.80 1ahq h ALA 121 N 1.40 1.05 -0.02 0.00 0.00 -1.97 -2.30 119.26 117.42 1ahq h ALA 121 Ca 0.27 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1ahq h ALA 121 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ahq h ALA 121 CO -0.33 0.67 -0.88 0.93 0.00 0.00 0.00 179.25 179.65 1ahq h GLU 122 N 0.08 0.37 -0.12 0.00 5.08 -1.76 -3.03 114.58 115.20 1ahq h GLU 122 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1ahq h GLU 122 Cb 0.97 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1ahq h GLU 122 CO 0.07 1.05 0.00 1.51 -1.00 0.00 0.00 179.01 180.64 1ahq n ILE 123 N -3.75 0.15 -0.75 3.13 0.13 -0.56 -4.34 119.36 113.36 1ahq n ILE 123 Ca -0.06 -0.33 -0.30 0.00 -1.10 0.00 0.00 62.75 60.97 1ahq n ILE 123 Cb 0.80 0.43 0.17 0.00 -0.84 0.00 0.00 39.64 40.20 1ahq n ILE 123 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1ahq s SER 124 N -1.71 2.72 0.36 9.51 1.04 -0.87 -4.82 113.70 119.94 1ahq s SER 124 Ca 0.34 1.99 0.09 0.00 0.48 0.00 0.00 55.95 58.85 1ahq s SER 124 Cb 0.19 -2.49 0.69 0.00 0.10 0.00 0.00 66.02 64.50 1ahq s SER 124 CO 0.29 -3.19 1.85 -0.08 0.98 0.00 0.00 173.24 173.09 1ahq h GLU 125 N -1.93 0.22 -0.09 4.02 4.81 -1.90 -2.87 114.58 116.85 1ahq h GLU 125 Ca -0.47 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1ahq h GLU 125 Cb 1.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ahq h GLU 125 CO 0.45 0.44 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.71 1ahq h ASP 126 N 0.21 0.17 0.03 1.04 5.19 -1.91 0.20 116.42 121.35 1ahq h ASP 126 Ca 0.04 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1ahq h ASP 126 Cb 0.51 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1ahq h ASP 126 CO 0.03 0.50 -0.10 0.00 -3.12 0.00 0.00 179.24 176.56 1ahq h ALA 127 N 0.68 -0.67 -0.31 3.45 0.00 -1.75 -1.12 119.26 119.54 1ahq h ALA 127 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ahq h ALA 127 Cb 0.42 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1ahq h ALA 127 CO 0.01 -0.69 -0.18 0.28 0.00 0.00 0.00 179.25 178.67 1ahq h VAL 128 N -0.15 0.49 -1.01 0.00 2.07 -1.53 -1.33 116.25 114.79 1ahq h VAL 128 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1ahq h VAL 128 Cb 0.14 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1ahq h VAL 128 CO -0.05 0.00 0.65 0.77 0.02 0.00 0.00 177.57 178.97 1ahq h SER 129 N -0.13 1.05 0.04 0.57 4.64 -0.58 0.25 113.55 119.39 1ahq h SER 129 Ca 0.16 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ahq h SER 129 Cb 0.38 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ahq h SER 129 CO -0.40 0.68 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.14 1ahq h GLU 130 N 1.20 -0.05 0.00 4.77 4.81 -0.44 -2.65 114.58 122.21 1ahq h GLU 130 Ca 0.43 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1ahq h GLU 130 Cb 0.14 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1ahq h GLU 130 CO -0.16 -0.00 -0.27 0.00 -0.73 0.00 0.00 179.01 177.84 1ahq h ARG 131 N -0.09 0.00 -0.98 1.92 -0.00 -0.53 -3.24 114.38 111.46 1ahq h ARG 131 Ca -0.01 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.64 1ahq h ARG 131 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 29.95 1ahq h ARG 131 CO 0.01 0.27 0.61 0.00 0.00 0.00 0.00 179.97 180.86 1ahq h ALA 132 N 1.73 1.72 -1.83 0.04 0.00 -0.14 0.03 119.26 120.80 1ahq h ALA 132 Ca -0.00 0.05 -0.75 0.00 0.00 0.00 0.00 54.91 54.21 1ahq h ALA 132 Cb 0.86 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.21 1ahq h ALA 132 CO 0.04 -0.03 0.45 0.36 0.00 0.00 0.00 179.25 180.06 1ahq n LYS 133 N -4.66 4.25 0.00 0.00 -0.00 -1.22 -4.89 118.16 111.63 1ahq n LYS 133 Ca 0.21 -4.64 0.14 0.00 -0.00 0.00 0.00 58.31 54.02 1ahq n LYS 133 Cb 0.51 -2.42 0.62 0.00 -0.00 0.00 0.00 35.03 33.74 1ahq n LYS 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57