#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajy n SER 31 N 0.00 0.24 -4.03 7.83 7.64 -1.26 -5.09 113.62 118.94 1ajy n SER 31 Ca 0.00 0.15 -0.21 0.00 1.01 0.00 0.00 58.87 59.81 1ajy n SER 31 Cb 0.00 0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1ajy n SER 31 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ajy s VAL 32 N -2.00 0.91 0.12 0.44 1.01 -1.26 -5.15 120.40 114.48 1ajy s VAL 32 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1ajy s VAL 32 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1ajy s VAL 32 CO 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 175.10 175.24 1ajy s ALA 33 N 0.09 1.49 1.38 5.51 0.00 -1.26 -4.56 121.76 124.41 1ajy s ALA 33 Ca -0.02 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 1ajy s ALA 33 Cb -0.08 -0.06 0.35 0.00 0.00 0.00 0.00 23.12 23.33 1ajy s ALA 33 CO 0.01 0.08 0.95 0.00 0.00 0.00 0.00 175.76 176.80 1ajy h LEU 35 N -3.29 1.03 -0.25 0.00 4.07 -1.82 0.29 115.31 115.34 1ajy h LEU 35 Ca -0.46 -0.32 -0.11 0.00 0.08 0.00 0.00 57.88 57.07 1ajy h LEU 35 Cb 1.34 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 1ajy h LEU 35 CO 0.32 1.11 -0.25 -1.28 -1.08 0.00 0.00 178.44 177.26 1ajy h SER 36 N 0.94 0.66 0.33 -0.43 0.87 -1.91 -1.78 113.55 112.24 1ajy h SER 36 Ca 0.16 -0.47 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 1ajy h SER 36 Cb 0.62 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ajy h SER 36 CO 0.04 1.00 -0.37 0.00 -0.53 0.00 0.00 176.83 176.97 1ajy h ARG 38 N 0.05 0.72 -0.49 0.00 9.65 -0.22 1.12 114.38 125.21 1ajy h ARG 38 Ca 0.00 -0.42 0.04 0.00 -1.10 0.00 0.00 59.98 58.50 1ajy h ARG 38 Cb 0.68 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 1ajy h ARG 38 CO 0.05 1.04 0.33 -0.22 2.80 0.00 0.00 179.97 183.97 1ajy h LYS 39 N 0.46 0.51 -0.01 0.20 3.11 -1.11 -0.71 116.57 119.02 1ajy h LYS 39 Ca 0.03 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ajy h LYS 39 Cb 0.96 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 1ajy h LYS 39 CO 0.09 0.34 -0.48 0.54 -2.81 0.00 0.00 179.45 177.13 1ajy n ARG 40 N -4.47 1.16 -3.46 1.90 1.74 -1.10 -4.99 116.66 107.42 1ajy n ARG 40 Ca 0.06 -0.94 -0.22 0.00 -0.77 0.00 0.00 57.85 55.97 1ajy n ARG 40 Cb 0.16 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.18 1ajy n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ajy n HIS 41 N -0.10 -2.19 -3.45 -1.55 8.25 0.37 -5.00 115.22 111.55 1ajy n HIS 41 Ca 0.09 0.69 -0.19 0.00 -0.26 0.00 0.00 57.72 58.05 1ajy n HIS 41 Cb 0.46 -3.90 -0.02 0.00 1.12 0.00 0.00 29.99 27.65 1ajy n HIS 41 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ajy s ILE 42 N -3.44 3.25 -0.91 1.59 -1.09 0.13 -5.00 121.20 115.73 1ajy s ILE 42 Ca 0.42 -1.18 -0.22 0.00 -2.23 0.00 0.00 60.65 57.43 1ajy s ILE 42 Cb -0.10 -3.13 0.08 0.00 -1.58 0.00 0.00 42.46 37.73 1ajy s ILE 42 CO 0.79 -0.07 1.25 -0.75 -1.23 0.00 0.00 174.94 174.94 1ajy s LYS 43 N -4.17 3.48 0.27 2.79 2.20 -1.26 -4.57 119.74 118.48 1ajy s LYS 43 Ca 0.48 -1.18 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 1ajy s LYS 43 Cb -0.07 -4.91 -0.10 0.00 -1.51 0.00 0.00 37.83 31.24 1ajy s LYS 43 CO 0.30 -2.00 1.29 0.00 -0.36 0.00 0.00 175.35 174.58 1ajy h PRO 45 N 4.26 0.54 0.00 0.00 0.11 -1.94 -3.45 132.00 131.51 1ajy h PRO 45 Ca -0.47 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1ajy h PRO 45 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ajy h PRO 45 CO 0.71 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.45 1ajy n GLY 46 N -0.93 0.72 3.24 -0.55 0.00 -1.26 -5.06 105.19 101.35 1ajy n GLY 46 Ca 0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1ajy n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ajy s GLY 47 N -1.47 1.26 -0.32 -0.02 0.00 -1.26 -4.98 107.32 100.52 1ajy s GLY 47 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 1ajy s GLY 47 CO 0.00 -1.52 0.13 -1.31 0.00 0.00 0.00 173.10 170.40 1ajy s ASN 48 N -3.18 3.73 0.95 1.64 0.02 -1.26 -0.34 114.94 116.50 1ajy s ASN 48 Ca 0.25 -1.69 -0.12 0.00 -1.02 0.00 0.00 52.86 50.29 1ajy s ASN 48 Cb 0.06 -0.67 0.16 0.00 0.02 0.00 0.00 41.25 40.82 1ajy s ASN 48 CO 0.05 -0.40 1.09 -2.16 0.02 0.00 0.00 177.10 175.70 1ajy s PRO 49 N 1.58 0.83 0.00 -0.60 0.05 -1.26 -5.17 135.00 130.43 1ajy s PRO 49 Ca 0.11 0.86 0.00 0.00 0.05 0.00 0.00 61.00 62.02 1ajy s PRO 49 Cb -0.18 -1.76 0.00 0.00 0.05 0.00 0.00 34.50 32.61 1ajy s PRO 49 CO -0.23 -2.55 0.00 0.00 0.05 0.00 0.00 177.00 174.27 1ajy n GLN 51 N 0.00 0.05 0.28 0.00 -0.06 -1.26 -4.58 117.38 111.81 1ajy n GLN 51 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 55.13 1ajy n GLN 51 Cb 0.00 -0.53 0.81 0.00 -4.06 0.00 0.00 30.24 26.45 1ajy n GLN 51 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1ajy h LYS 52 N 0.00 0.00 0.05 3.69 1.79 -1.97 0.79 116.57 120.92 1ajy h LYS 52 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 1ajy h LYS 52 Cb 0.07 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 1ajy h LYS 52 CO 0.00 0.04 -2.28 0.00 -1.08 0.00 0.00 179.45 176.12 1ajy h VAL 54 N 0.03 1.15 0.02 0.00 2.07 -1.67 -0.47 116.25 117.37 1ajy h VAL 54 Ca -0.52 -0.65 -0.24 0.00 0.82 0.00 0.00 66.70 66.11 1ajy h VAL 54 Cb 1.96 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1ajy h VAL 54 CO -0.02 0.20 -1.01 0.00 0.02 0.00 0.00 177.57 176.77 1ajy h THR 55 N 0.22 1.37 0.00 2.57 1.03 -1.00 -3.41 112.91 113.70 1ajy h THR 55 Ca 0.05 -2.44 0.00 0.00 -0.01 0.00 0.00 66.41 64.00 1ajy h THR 55 Cb 0.30 2.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.85 1ajy h THR 55 CO 0.02 0.74 0.00 -1.20 -0.01 0.00 0.00 175.52 175.06 1ajy n SER 56 N -3.76 0.00 0.00 0.00 7.64 -0.84 -5.02 113.62 111.64 1ajy n SER 56 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1ajy n SER 56 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1ajy n SER 56 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ajy n ASN 57 N -0.40 0.00 -4.42 6.43 0.23 -0.25 -5.06 115.26 111.79 1ajy n ASN 57 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 1ajy n ASN 57 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1ajy n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ajy s ALA 58 N 0.00 2.47 0.30 -2.53 0.00 -0.83 -5.04 121.76 116.14 1ajy s ALA 58 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 1ajy s ALA 58 Cb 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 1ajy s ALA 58 CO 0.00 0.30 1.01 0.42 0.00 0.00 0.00 175.76 177.49 1ajy s ILE 59 N -2.21 3.84 -0.27 0.00 1.01 -1.26 -4.18 121.20 118.13 1ajy s ILE 59 Ca 0.24 1.70 -0.06 0.00 0.00 0.00 0.00 60.65 62.52 1ajy s ILE 59 Cb -0.06 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1ajy s ILE 59 CO 0.11 0.29 0.05 0.00 0.00 0.00 0.00 174.94 175.39 1ajy s GLU 61 N 1.51 1.02 0.00 0.00 2.02 -1.26 -4.78 118.70 117.20 1ajy s GLU 61 Ca 0.04 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1ajy s GLU 61 Cb -0.16 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1ajy s GLU 61 CO 0.01 -0.35 0.00 0.66 0.02 0.00 0.00 175.26 175.60 1ajy n TYR 62 N -0.14 0.00 -3.65 1.61 4.01 -1.26 -3.72 117.16 114.00 1ajy n TYR 62 Ca -0.10 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.37 1ajy n TYR 62 Cb 0.63 0.20 -0.17 0.00 -0.31 0.00 0.00 39.34 39.69 1ajy n TYR 62 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1ajy s LEU 63 N -3.53 0.69 -0.45 7.72 2.96 -1.26 -5.01 118.68 119.80 1ajy s LEU 63 Ca 0.00 -0.78 0.03 0.00 -0.22 0.00 0.00 54.13 53.16 1ajy s LEU 63 Cb 0.00 -0.39 0.22 0.00 0.50 0.00 0.00 46.19 46.53 1ajy s LEU 63 CO 0.00 -0.35 0.92 -1.84 -1.32 0.00 0.00 176.35 173.77 1ajy n GLU 64 N 5.19 0.46 0.00 1.98 0.28 -1.26 -5.06 120.64 122.23 1ajy n GLU 64 Ca -0.07 -1.51 0.00 0.00 -0.16 0.00 0.00 57.16 55.42 1ajy n GLU 64 Cb 0.47 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.37 1ajy n GLU 64 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1ajy n PRO 65 N 2.28 0.00 -3.63 3.44 -0.02 -1.26 -4.97 135.00 130.84 1ajy n PRO 65 Ca 0.12 0.38 -0.07 0.00 -2.02 0.00 0.00 63.50 61.91 1ajy n PRO 65 Cb 0.62 -1.34 -0.06 0.00 -0.02 0.00 0.00 33.50 32.70 1ajy n PRO 65 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ajy s SER 66 N -2.05 -0.29 -0.86 2.55 0.15 -1.26 -5.07 113.70 106.87 1ajy s SER 66 Ca 0.00 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 56.94 1ajy s SER 66 Cb 0.00 0.48 -0.22 0.00 -1.71 0.00 0.00 66.02 64.58 1ajy s SER 66 CO 0.00 -0.14 2.39 1.17 1.20 0.00 0.00 173.24 177.85 1ajy n LYS 67 N 1.59 0.32 -4.29 5.44 4.81 -1.26 -4.88 118.16 119.89 1ajy n LYS 67 Ca -0.10 -0.23 -0.32 0.00 -0.87 0.00 0.00 58.31 56.79 1ajy n LYS 67 Cb 0.57 -2.24 -0.09 0.00 0.02 0.00 0.00 35.03 33.28 1ajy n LYS 67 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ajy s LYS 68 N 8.17 2.59 0.57 1.64 1.02 -1.26 -5.09 119.74 127.38 1ajy s LYS 68 Ca 1.17 -0.74 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 1ajy s LYS 68 Cb -0.63 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1ajy s LYS 68 CO 0.37 0.59 1.25 -1.50 -0.92 0.00 0.00 175.35 175.13 1ajy s ILE 69 N -1.13 2.49 -0.41 2.17 1.10 -1.26 -5.00 121.20 119.16 1ajy s ILE 69 Ca 0.21 0.33 0.05 0.00 -0.51 0.00 0.00 60.65 60.73 1ajy s ILE 69 Cb -0.11 -3.15 0.17 0.00 0.15 0.00 0.00 42.46 39.52 1ajy s ILE 69 CO 0.12 -0.04 0.48 -0.69 -2.11 0.00 0.00 174.94 172.70 1ajy s VAL 70 N -1.49 -0.47 0.00 4.00 1.01 -1.26 -5.13 120.40 117.05 1ajy s VAL 70 Ca 0.75 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ajy s VAL 70 Cb -0.33 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1ajy s VAL 70 CO 0.37 -0.47 0.00 1.33 0.00 0.00 0.00 175.10 176.33 1ajy n VAL 71 N 3.79 0.00 -1.92 2.92 0.24 -1.26 -5.09 118.33 117.01 1ajy n VAL 71 Ca 0.15 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 1ajy n VAL 71 Cb 0.50 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 1ajy n VAL 71 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ajy s SER 72 N 0.97 5.63 0.39 -1.34 0.15 -1.26 -4.84 113.70 113.40 1ajy s SER 72 Ca 0.00 1.22 0.08 0.00 0.70 0.00 0.00 55.95 57.95 1ajy s SER 72 Cb 0.00 -2.52 0.83 0.00 -1.71 0.00 0.00 66.02 62.62 1ajy s SER 72 CO 0.00 -1.93 1.97 0.00 1.20 0.00 0.00 173.24 174.48 1ajy h THR 73 N 6.93 0.99 -0.99 6.45 1.03 -2.00 -1.05 112.91 124.28 1ajy h THR 73 Ca -0.33 -0.22 0.17 0.00 -0.01 0.00 0.00 66.41 66.02 1ajy h THR 73 Cb 1.18 0.30 -0.10 0.00 -1.07 0.00 0.00 68.15 68.46 1ajy h THR 73 CO 1.06 0.12 0.62 0.50 -0.01 0.00 0.00 175.52 177.80 1ajy h LYS 74 N 0.64 0.77 0.71 0.00 3.64 -1.98 0.65 116.57 121.00 1ajy h LYS 74 Ca 0.29 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1ajy h LYS 74 Cb 0.31 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ajy h LYS 74 CO -0.09 0.51 -0.34 -0.92 -2.27 0.00 0.00 179.45 176.33 1ajy h TYR 75 N 0.79 -0.89 -0.56 1.91 3.20 -1.58 -1.60 116.97 118.24 1ajy h TYR 75 Ca 0.54 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.45 1ajy h TYR 75 Cb 0.80 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 1ajy h TYR 75 CO -0.00 -0.53 0.26 -0.07 -1.64 0.00 0.00 178.16 176.18 1ajy h LEU 76 N -1.11 0.35 -0.89 2.82 -0.00 -1.24 -1.16 115.31 114.08 1ajy h LEU 76 Ca -0.10 0.04 0.17 0.00 -0.00 0.00 0.00 57.88 58.00 1ajy h LEU 76 Cb 0.76 -0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 41.30 1ajy h LEU 76 CO 0.16 0.23 0.46 -0.61 -0.00 0.00 0.00 178.44 178.68 1ajy h GLN 77 N 0.50 0.57 -0.34 1.13 5.75 0.40 0.42 115.11 123.54 1ajy h GLN 77 Ca 0.26 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.76 1ajy h GLN 77 Cb 0.22 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1ajy h GLN 77 CO -0.21 0.38 0.23 0.37 -2.65 0.00 0.00 178.83 176.95 1ajy h GLN 78 N 0.59 0.34 0.00 1.69 5.75 -0.19 0.15 115.11 123.44 1ajy h GLN 78 Ca 0.51 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1ajy h GLN 78 Cb 0.81 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1ajy h GLN 78 CO -0.41 0.22 0.00 -0.07 -2.65 0.00 0.00 178.83 175.93 1ajy h LEU 79 N 0.35 0.00 0.00 -2.39 -0.00 -0.01 0.14 115.31 113.40 1ajy h LEU 79 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.99 1ajy h LEU 79 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1ajy h LEU 79 CO -0.03 0.00 -0.19 1.56 -0.00 0.00 0.00 178.44 179.78 1ajy h GLN 80 N 0.00 0.00 -0.16 1.13 1.08 -0.36 -2.91 115.11 113.88 1ajy h GLN 80 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1ajy h GLN 80 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1ajy h GLN 80 CO 0.00 0.71 -0.52 -0.22 -0.95 0.00 0.00 178.83 177.85 1ajy h LYS 81 N -1.00 0.64 -0.95 1.46 3.64 -1.45 -2.83 116.57 116.08 1ajy h LYS 81 Ca -0.04 -0.47 0.12 0.00 -1.27 0.00 0.00 60.65 58.98 1ajy h LYS 81 Cb 0.77 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.60 1ajy h LYS 81 CO -0.03 1.09 0.61 0.22 -2.27 0.00 0.00 179.45 179.07 1ajy h ASP 82 N 0.31 0.83 -0.52 4.20 3.58 -0.87 0.27 116.42 124.22 1ajy h ASP 82 Ca -0.02 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.49 1ajy h ASP 82 Cb 1.15 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1ajy h ASP 82 CO 0.11 0.45 0.31 0.25 -2.88 0.00 0.00 179.24 177.48 1ajy h LEU 83 N 0.90 0.51 -0.95 2.28 6.46 -1.35 -1.37 115.31 121.79 1ajy h LEU 83 Ca 0.47 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 58.14 1ajy h LEU 83 Cb 0.53 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1ajy h LEU 83 CO -0.23 0.36 -0.15 -1.13 -0.62 0.00 0.00 178.44 176.67 1ajy h ASN 84 N 0.62 0.59 -0.02 1.25 -1.24 -0.48 -1.43 115.58 114.87 1ajy h ASN 84 Ca 0.20 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.05 1ajy h ASN 84 Cb 0.01 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 1ajy h ASN 84 CO -0.09 0.76 0.02 -0.78 -1.29 0.00 0.00 177.43 176.05 1ajy h ASP 85 N 0.54 0.00 1.21 1.15 1.82 0.43 0.87 116.42 122.45 1ajy h ASP 85 Ca 0.09 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1ajy h ASP 85 Cb 0.57 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1ajy h ASP 85 CO 0.04 0.00 -0.48 0.11 -1.61 0.00 0.00 179.24 177.30 1ajy h LYS 86 N 0.00 0.00 0.24 0.28 1.79 -0.49 -0.75 116.57 117.63 1ajy h LYS 86 Ca 0.01 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.14 1ajy h LYS 86 Cb 0.04 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1ajy h LYS 86 CO -0.00 0.48 -1.53 1.15 -1.08 0.00 0.00 179.45 178.47 1ajy h THR 87 N 0.00 1.22 -0.32 -0.16 2.02 0.62 -1.32 112.91 114.97 1ajy h THR 87 Ca -0.00 -2.68 -0.11 0.00 0.77 0.00 0.00 66.41 64.39 1ajy h THR 87 Cb 1.21 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 70.59 1ajy h THR 87 CO 0.06 0.82 -0.24 -0.33 0.37 0.00 0.00 175.52 176.21 1ajy h GLU 88 N 0.14 0.62 -0.06 6.66 5.08 0.47 -1.35 114.58 126.13 1ajy h GLU 88 Ca -0.27 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1ajy h GLU 88 Cb 2.15 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.37 1ajy h GLU 88 CO 0.25 0.81 -0.04 0.93 -1.00 0.00 0.00 179.01 179.96 1ajy h GLU 89 N 0.54 0.14 -0.41 2.33 4.39 -1.17 -1.87 114.58 118.52 1ajy h GLU 89 Ca 0.08 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1ajy h GLU 89 Cb 0.70 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1ajy h GLU 89 CO 0.05 0.53 0.38 -0.91 -1.16 0.00 0.00 179.01 177.90 1ajy h ASN 90 N -0.26 0.00 0.29 1.42 2.35 -1.01 0.49 115.58 118.85 1ajy h ASN 90 Ca 0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 1ajy h ASN 90 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1ajy h ASN 90 CO 0.01 0.00 -0.92 0.78 -1.65 0.00 0.00 177.43 175.65 1ajy h ASN 91 N 0.00 0.57 0.00 5.81 2.35 -0.63 -2.83 115.58 120.85 1ajy h ASN 91 Ca 0.19 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1ajy h ASN 91 Cb 0.95 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1ajy h ASN 91 CO -0.00 1.24 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.93 1ajy h ARG 92 N 0.26 0.00 -0.99 0.81 2.43 0.42 -2.90 114.38 114.41 1ajy h ARG 92 Ca -0.08 -0.00 0.28 0.00 -0.81 0.00 0.00 59.98 59.37 1ajy h ARG 92 Cb 1.55 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.05 1ajy h ARG 92 CO 0.16 0.98 0.70 1.25 -1.51 0.00 0.00 179.97 181.55 1ajy h LEU 93 N -0.98 0.09 -0.18 3.80 5.85 -0.36 1.48 115.31 125.01 1ajy h LEU 93 Ca -0.00 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.51 1ajy h LEU 93 Cb 0.98 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.01 1ajy h LEU 93 CO 0.00 0.02 -0.86 0.50 -0.34 0.00 0.00 178.44 177.76 1ajy h LYS 94 N 0.08 0.61 -0.01 1.25 3.64 -1.52 -2.75 116.57 117.87 1ajy h LYS 94 Ca 0.49 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1ajy h LYS 94 Cb 1.79 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1ajy h LYS 94 CO -0.05 1.18 -0.25 0.00 -2.27 0.00 0.00 179.45 178.06 1ajy n ALA 95 N -2.58 3.06 0.03 5.00 0.00 0.20 -2.78 120.51 123.45 1ajy n ALA 95 Ca -0.07 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.01 1ajy n ALA 95 Cb 0.79 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 1ajy n ALA 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ajy n LEU 96 N -0.60 0.51 -0.11 0.00 7.94 0.45 -3.69 117.00 121.49 1ajy n LEU 96 Ca 0.12 0.21 -0.14 0.00 -1.11 0.00 0.00 56.01 55.10 1ajy n LEU 96 Cb 0.35 0.06 -0.13 0.00 0.53 0.00 0.00 43.42 44.22 1ajy n LEU 96 CO 0.25 0.04 -1.23 0.18 -1.11 0.00 0.00 177.39 175.52 1ajy n LEU 97 N -2.62 1.58 0.24 -1.96 4.77 -1.05 -4.30 117.00 113.67 1ajy n LEU 97 Ca -0.08 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1ajy n LEU 97 Cb 0.70 -0.24 0.52 0.00 -2.33 0.00 0.00 43.42 42.08 1ajy n LEU 97 CO 0.43 0.71 0.87 -0.07 -1.33 0.00 0.00 177.39 178.00 1ajy h LEU 98 N 0.00 0.00 -1.19 2.23 3.38 -1.72 -2.66 115.31 115.35 1ajy h LEU 98 Ca -0.54 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1ajy h LEU 98 Cb 2.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1ajy h LEU 98 CO -0.03 0.14 -0.21 -0.08 0.09 0.00 0.00 178.44 178.35 1ajy h GLU 99 N 0.00 0.00 0.00 1.13 4.81 -1.75 -3.51 114.58 115.27 1ajy h GLU 99 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ajy h GLU 99 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1ajy h GLU 99 CO 0.02 0.21 0.00 0.54 -0.73 0.00 0.00 179.01 179.04