#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajy s SER 31 N 0.00 1.43 -0.25 6.12 0.01 -1.26 -5.14 113.70 114.62 1ajy s SER 31 Ca 0.00 -0.94 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 1ajy s SER 31 Cb 0.00 0.03 0.12 0.00 0.21 0.00 0.00 66.02 66.38 1ajy s SER 31 CO 0.00 -0.35 0.29 -0.69 0.41 0.00 0.00 173.24 172.90 1ajy s VAL 32 N -3.10 -0.44 0.26 3.43 1.01 -1.26 -5.15 120.40 115.16 1ajy s VAL 32 Ca 0.11 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1ajy s VAL 32 Cb 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1ajy s VAL 32 CO -0.01 -0.28 0.35 0.00 0.00 0.00 0.00 175.10 175.16 1ajy s ALA 33 N 2.40 3.92 1.42 5.51 0.00 -1.26 -4.87 121.76 128.88 1ajy s ALA 33 Ca 0.09 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.49 1ajy s ALA 33 Cb -0.15 -1.61 0.36 0.00 0.00 0.00 0.00 23.12 21.72 1ajy s ALA 33 CO -0.21 0.18 0.95 0.00 0.00 0.00 0.00 175.76 176.68 1ajy h LEU 35 N 0.00 0.93 -0.90 0.00 3.38 -1.80 -0.94 115.31 115.97 1ajy h LEU 35 Ca -0.40 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 56.98 1ajy h LEU 35 Cb 1.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ajy h LEU 35 CO 0.25 1.23 -0.21 -1.28 0.09 0.00 0.00 178.44 178.52 1ajy h SER 36 N 0.64 0.57 1.54 -0.43 0.87 -1.92 -2.05 113.55 112.78 1ajy h SER 36 Ca 0.04 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1ajy h SER 36 Cb 1.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ajy h SER 36 CO 0.10 0.78 0.00 0.00 -0.53 0.00 0.00 176.83 177.18 1ajy h ARG 38 N 0.00 0.36 0.00 0.00 9.65 -0.48 0.84 114.38 124.76 1ajy h ARG 38 Ca 0.00 -0.61 -0.06 0.00 -1.10 0.00 0.00 59.98 58.20 1ajy h ARG 38 Cb 0.77 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 1ajy h ARG 38 CO 0.00 1.29 -0.29 1.57 2.80 0.00 0.00 179.97 185.34 1ajy h LYS 39 N -0.24 0.00 0.00 0.20 5.09 -1.49 -2.52 116.57 117.62 1ajy h LYS 39 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.57 1ajy h LYS 39 Cb 1.77 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.10 1ajy h LYS 39 CO 0.18 0.29 -0.78 0.54 -2.09 0.00 0.00 179.45 177.60 1ajy n ARG 40 N -3.53 0.04 -3.56 0.07 1.74 -1.12 -4.98 116.66 105.31 1ajy n ARG 40 Ca -0.00 -0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1ajy n ARG 40 Cb 0.44 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.56 -2.06 -3.72 -1.55 8.25 0.17 -4.99 115.22 109.76 1ajy n HIS 41 Ca 0.04 0.82 -0.20 0.00 -0.26 0.00 0.00 57.72 58.12 1ajy n HIS 41 Cb 0.35 -4.39 -0.02 0.00 1.12 0.00 0.00 29.99 27.04 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 -3.53 4.02 -1.28 1.59 -1.09 -0.48 -5.02 121.20 115.41 1ajy s ILE 42 Ca 0.13 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.21 1ajy s ILE 42 Cb -0.03 -3.37 0.11 0.00 -1.58 0.00 0.00 42.46 37.59 1ajy s ILE 42 CO 0.79 -0.20 1.66 0.29 -1.23 0.00 0.00 174.94 176.25 1ajy n LYS 43 N -1.47 3.26 -1.64 2.79 4.01 -1.26 -4.88 118.16 118.97 1ajy n LYS 43 Ca -0.02 -3.46 -0.44 0.00 -0.51 0.00 0.00 58.31 53.87 1ajy n LYS 43 Cb 0.59 -3.30 -0.02 0.00 -0.51 0.00 0.00 35.03 31.79 1ajy n LYS 43 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ajy h PRO 45 N 2.66 -0.77 0.00 0.00 0.14 -1.94 -3.48 132.00 128.60 1ajy h PRO 45 Ca -0.43 0.05 0.00 0.00 0.14 0.00 0.00 66.00 65.76 1ajy h PRO 45 Cb 1.31 0.18 0.00 0.00 0.14 0.00 0.00 31.00 32.63 1ajy h PRO 45 CO 0.65 -0.47 0.00 0.41 0.14 0.00 0.00 178.00 178.72 1ajy n GLY 46 N -1.06 0.96 3.77 1.56 0.00 -1.26 -5.08 105.19 104.07 1ajy n GLY 46 Ca -0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -0.21 -0.31 -0.02 0.00 -1.26 -4.98 107.32 100.54 1ajy s GLY 47 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.75 1ajy s GLY 47 CO 0.00 -0.01 0.14 -1.31 0.00 0.00 0.00 173.10 171.92 1ajy s ASN 48 N -2.94 3.54 1.20 1.64 0.02 -1.26 -1.90 114.94 115.23 1ajy s ASN 48 Ca 0.12 -1.54 -0.18 0.00 -1.02 0.00 0.00 52.86 50.24 1ajy s ASN 48 Cb -0.02 -0.47 0.28 0.00 0.02 0.00 0.00 41.25 41.06 1ajy s ASN 48 CO 0.03 -0.41 1.07 -2.16 0.02 0.00 0.00 177.10 175.65 1ajy s PRO 49 N 1.79 -1.17 0.00 -0.60 0.05 -1.26 -5.16 135.00 128.66 1ajy s PRO 49 Ca 0.11 0.17 0.00 0.00 0.05 0.00 0.00 61.00 61.32 1ajy s PRO 49 Cb -0.18 -1.58 0.00 0.00 0.05 0.00 0.00 34.50 32.79 1ajy s PRO 49 CO -0.28 -3.72 0.00 0.00 0.05 0.00 0.00 177.00 173.05 1ajy n GLN 51 N 0.00 0.00 0.21 0.00 -0.06 -1.26 -4.49 117.38 111.78 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 -0.62 0.73 0.00 -4.06 0.00 0.00 30.24 26.29 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 0.04 3.69 1.79 -1.98 0.21 116.57 120.33 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 0.29 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.89 1ajy h LYS 52 CO 0.00 0.00 -2.29 0.00 -1.08 0.00 0.00 179.45 176.08 1ajy h VAL 54 N 0.02 1.13 0.06 0.00 2.07 -1.66 -0.31 116.25 117.57 1ajy h VAL 54 Ca -0.52 -0.57 -0.26 0.00 0.82 0.00 0.00 66.70 66.17 1ajy h VAL 54 Cb 1.97 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1ajy h VAL 54 CO -0.02 0.18 -1.10 0.00 0.02 0.00 0.00 177.57 176.65 1ajy h THR 55 N 0.15 1.37 0.00 2.57 1.03 -0.74 -3.41 112.91 113.88 1ajy h THR 55 Ca 0.03 -2.53 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 1ajy h THR 55 Cb 0.27 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.93 1ajy h THR 55 CO 0.01 0.76 0.00 -1.20 -0.01 0.00 0.00 175.52 175.08 1ajy n SER 56 N -3.74 0.00 0.00 0.00 7.64 -0.82 -5.02 113.62 111.69 1ajy n SER 56 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1ajy n SER 56 Cb 0.92 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.46 0.00 -4.47 6.43 2.04 -0.19 -5.06 115.26 113.55 1ajy n ASN 57 Ca 0.00 0.00 -0.24 0.00 -0.44 0.00 0.00 54.58 53.90 1ajy n ASN 57 Cb 0.00 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.15 1ajy n ASN 57 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ajy s ALA 58 N 0.00 2.71 0.27 -2.53 0.00 -0.84 -5.04 121.76 116.32 1ajy s ALA 58 Ca 0.00 -1.89 -0.27 0.00 0.00 0.00 0.00 51.96 49.80 1ajy s ALA 58 Cb 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.83 1ajy s ALA 58 CO 0.00 0.22 0.91 0.42 0.00 0.00 0.00 175.76 177.31 1ajy s ILE 59 N -2.58 4.20 -0.20 0.00 1.01 -1.26 -4.23 121.20 118.13 1ajy s ILE 59 Ca 0.30 1.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.79 1ajy s ILE 59 Cb -0.03 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1ajy s ILE 59 CO 0.14 0.32 -0.05 0.00 0.00 0.00 0.00 174.94 175.36 1ajy s GLU 61 N 1.14 1.28 0.00 0.00 0.41 -1.26 -4.77 118.70 115.50 1ajy s GLU 61 Ca 0.02 -0.58 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1ajy s GLU 61 Cb -0.15 0.56 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 1ajy s GLU 61 CO -0.01 -0.55 0.00 0.66 -0.49 0.00 0.00 175.26 174.87 1ajy n TYR 62 N -0.35 0.00 -3.95 1.61 4.01 -1.26 -3.92 117.16 113.30 1ajy n TYR 62 Ca -0.15 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.35 1ajy n TYR 62 Cb 0.64 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.50 1ajy n TYR 62 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1ajy s LEU 63 N 0.00 1.02 -0.47 7.72 0.05 -1.26 -5.06 118.68 120.67 1ajy s LEU 63 Ca 0.00 -0.19 0.07 0.00 0.05 0.00 0.00 54.13 54.06 1ajy s LEU 63 Cb 0.00 -0.62 0.24 0.00 -2.05 0.00 0.00 46.19 43.76 1ajy s LEU 63 CO 0.00 -0.12 0.57 1.21 -0.55 0.00 0.00 176.35 177.45 1ajy n GLU 64 N 4.78 1.22 -0.39 1.48 2.13 -1.26 -5.11 120.64 123.50 1ajy n GLU 64 Ca -0.13 -3.67 -0.31 0.00 0.66 0.00 0.00 57.16 53.71 1ajy n GLU 64 Cb 0.50 -1.58 0.29 0.00 0.27 0.00 0.00 31.44 30.92 1ajy n GLU 64 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1ajy s PRO 65 N -1.46 -3.16 -0.46 5.31 0.02 -1.26 -4.87 135.00 129.13 1ajy s PRO 65 Ca 0.36 0.02 -0.02 0.00 0.02 0.00 0.00 61.00 61.38 1ajy s PRO 65 Cb 0.15 -1.36 0.23 0.00 0.02 0.00 0.00 34.50 33.54 1ajy s PRO 65 CO -0.09 -5.00 2.20 -1.13 -0.33 0.00 0.00 177.00 172.65 1ajy n SER 66 N -5.70 6.80 -0.52 2.53 3.41 -1.26 -4.25 113.62 114.63 1ajy n SER 66 Ca 0.14 -3.30 0.07 0.00 -0.26 0.00 0.00 58.87 55.52 1ajy n SER 66 Cb 0.61 -1.08 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 1ajy n SER 66 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ajy n LYS 67 N 0.16 1.27 -3.70 4.33 5.02 -1.26 -4.98 118.16 119.00 1ajy n LYS 67 Ca 0.43 -2.86 -0.39 0.00 -2.02 0.00 0.00 58.31 53.48 1ajy n LYS 67 Cb 0.57 -1.38 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 1ajy n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ajy s LYS 68 N -2.68 2.81 1.08 1.97 -0.14 -1.26 -5.08 119.74 116.44 1ajy s LYS 68 Ca 0.34 -1.06 -0.14 0.00 -1.36 0.00 0.00 55.97 53.74 1ajy s LYS 68 Cb 0.33 -3.54 0.16 0.00 -1.68 0.00 0.00 37.83 33.10 1ajy s LYS 68 CO -0.05 -0.62 0.59 1.51 -0.76 0.00 0.00 175.35 176.02 1ajy n ILE 69 N 4.89 0.00 -3.15 2.17 0.13 -1.26 -5.02 119.36 117.12 1ajy n ILE 69 Ca -0.13 -0.29 0.06 0.00 -1.10 0.00 0.00 62.75 61.29 1ajy n ILE 69 Cb 0.46 -0.80 -0.01 0.00 -0.84 0.00 0.00 39.64 38.45 1ajy n ILE 69 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ajy s VAL 70 N -2.38 -0.07 0.00 9.51 0.11 -1.26 -5.12 120.40 121.20 1ajy s VAL 70 Ca 0.62 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1ajy s VAL 70 Cb -0.20 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1ajy s VAL 70 CO 0.65 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.94 1ajy n VAL 71 N 5.30 0.00 -3.70 2.04 0.31 -1.26 -5.14 118.33 115.88 1ajy n VAL 71 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1ajy n VAL 71 Cb 0.56 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.36 1ajy n VAL 71 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ajy s SER 72 N 1.72 -0.02 0.32 4.52 0.15 -1.26 -5.02 113.70 114.11 1ajy s SER 72 Ca 0.00 0.57 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1ajy s SER 72 Cb 0.00 0.54 0.53 0.00 -1.71 0.00 0.00 66.02 65.39 1ajy s SER 72 CO 0.00 -0.20 1.80 0.00 1.20 0.00 0.00 173.24 176.05 1ajy h THR 73 N 6.03 1.23 -0.67 6.45 1.03 -2.01 -2.49 112.91 122.49 1ajy h THR 73 Ca -0.30 -1.04 0.09 0.00 -0.01 0.00 0.00 66.41 65.16 1ajy h THR 73 Cb 1.14 1.20 -0.07 0.00 -1.07 0.00 0.00 68.15 69.35 1ajy h THR 73 CO 0.27 0.33 0.32 0.50 -0.01 0.00 0.00 175.52 176.93 1ajy h LYS 74 N 0.41 0.53 0.18 0.00 3.11 -1.99 0.34 116.57 119.15 1ajy h LYS 74 Ca 0.08 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1ajy h LYS 74 Cb 0.51 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1ajy h LYS 74 CO 0.03 0.35 -0.09 -0.92 -2.81 0.00 0.00 179.45 176.02 1ajy h TYR 75 N 0.55 -0.23 -0.96 1.91 3.20 -1.88 -1.83 116.97 117.73 1ajy h TYR 75 Ca 0.33 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.35 1ajy h TYR 75 Cb 0.35 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.60 1ajy h TYR 75 CO -0.12 -0.05 0.56 -0.07 -1.64 0.00 0.00 178.16 176.84 1ajy h LEU 76 N -0.36 0.74 -0.40 2.82 -0.00 -0.88 -0.41 115.31 116.82 1ajy h LEU 76 Ca -0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1ajy h LEU 76 Cb 0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1ajy h LEU 76 CO 0.04 0.31 0.22 1.56 -0.00 0.00 0.00 178.44 180.57 1ajy h GLN 77 N 0.78 0.55 0.00 1.13 7.50 0.08 -1.22 115.11 123.92 1ajy h GLN 77 Ca 0.52 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.60 1ajy h GLN 77 Cb 0.73 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.15 1ajy h GLN 77 CO -0.35 0.45 -0.03 0.37 -1.50 0.00 0.00 178.83 177.76 1ajy h GLN 78 N 0.51 0.00 0.03 1.46 4.15 -0.28 -2.10 115.11 118.89 1ajy h GLN 78 Ca 0.14 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1ajy h GLN 78 Cb 0.05 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.75 1ajy h GLN 78 CO -0.02 0.03 -0.47 1.25 -1.93 0.00 0.00 178.83 177.69 1ajy h LEU 79 N 0.00 0.36 -0.52 -2.39 5.85 -0.39 -2.21 115.31 116.00 1ajy h LEU 79 Ca -0.00 -0.83 -0.05 0.00 0.84 0.00 0.00 57.88 57.83 1ajy h LEU 79 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1ajy h LEU 79 CO 0.00 1.15 0.11 1.56 -0.34 0.00 0.00 178.44 180.93 1ajy h GLN 80 N -0.39 0.85 -0.45 1.25 4.20 -0.98 -2.17 115.11 117.42 1ajy h GLN 80 Ca -0.07 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 1ajy h GLN 80 Cb 1.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1ajy h GLN 80 CO 0.09 0.82 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.78 1ajy h LYS 81 N 0.74 0.84 -1.00 1.46 1.63 -1.49 -2.12 116.57 116.62 1ajy h LYS 81 Ca 0.16 -0.30 0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1ajy h LYS 81 Cb 0.36 -0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.85 1ajy h LYS 81 CO 0.00 0.93 0.64 0.22 -3.45 0.00 0.00 179.45 177.79 1ajy h ASP 82 N 0.68 0.96 -0.50 4.20 1.82 -1.21 0.11 116.42 122.48 1ajy h ASP 82 Ca 0.12 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 1ajy h ASP 82 Cb 0.60 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1ajy h ASP 82 CO 0.04 0.54 0.04 0.25 -1.61 0.00 0.00 179.24 178.49 1ajy h LEU 83 N 1.04 0.87 -0.93 2.28 6.46 -1.00 -2.41 115.31 121.63 1ajy h LEU 83 Ca 0.48 -0.21 -0.09 0.00 -0.12 0.00 0.00 57.88 57.93 1ajy h LEU 83 Cb 0.40 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1ajy h LEU 83 CO -0.24 0.91 -0.22 -1.13 -0.62 0.00 0.00 178.44 177.15 1ajy h ASN 84 N 0.85 0.53 0.56 1.25 -0.73 -0.23 -1.87 115.58 115.94 1ajy h ASN 84 Ca 0.17 -0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1ajy h ASN 84 Cb 0.45 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 1ajy h ASN 84 CO 0.02 0.75 -0.08 -0.78 -0.37 0.00 0.00 177.43 176.96 1ajy h ASP 85 N 0.47 0.00 1.34 1.15 1.82 -0.48 0.51 116.42 121.23 1ajy h ASP 85 Ca 0.07 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.58 1ajy h ASP 85 Cb 0.64 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 1ajy h ASP 85 CO 0.05 0.08 -0.67 0.11 -1.61 0.00 0.00 179.24 177.20 1ajy h LYS 86 N 0.00 0.00 0.20 0.28 1.79 -1.02 -2.02 116.57 115.80 1ajy h LYS 86 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1ajy h LYS 86 Cb 0.39 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1ajy h LYS 86 CO 0.01 0.60 -1.68 1.15 -1.08 0.00 0.00 179.45 178.46 1ajy h THR 87 N 0.00 1.03 -0.28 -0.16 2.02 -0.76 -2.25 112.91 112.52 1ajy h THR 87 Ca -0.02 -2.58 -0.07 0.00 0.77 0.00 0.00 66.41 64.52 1ajy h THR 87 Cb 1.49 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 70.71 1ajy h THR 87 CO 0.08 0.85 -0.11 -0.33 0.37 0.00 0.00 175.52 176.37 1ajy h GLU 88 N 0.11 0.47 -0.07 6.66 5.08 -0.09 -0.82 114.58 125.92 1ajy h GLU 88 Ca -0.32 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1ajy h GLU 88 Cb 2.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1ajy h GLU 88 CO 0.20 0.58 -0.12 0.93 -1.00 0.00 0.00 179.01 179.60 1ajy h GLU 89 N 0.44 0.20 -0.32 2.33 4.39 -1.43 -1.89 114.58 118.30 1ajy h GLU 89 Ca 0.08 -0.13 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1ajy h GLU 89 Cb 0.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1ajy h GLU 89 CO 0.03 0.71 0.29 -0.91 -1.16 0.00 0.00 179.01 177.96 1ajy h ASN 90 N -0.28 0.00 0.49 1.42 2.35 -1.08 0.22 115.58 118.71 1ajy h ASN 90 Ca 0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.53 1ajy h ASN 90 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1ajy h ASN 90 CO 0.03 0.00 -0.99 0.78 -1.65 0.00 0.00 177.43 175.60 1ajy h ASN 91 N 0.00 0.41 0.39 5.81 2.35 -0.79 -2.92 115.58 120.83 1ajy h ASN 91 Ca 0.15 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1ajy h ASN 91 Cb 0.73 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1ajy h ASN 91 CO -0.00 1.18 -0.19 -0.09 -1.65 0.00 0.00 177.43 176.68 1ajy h ARG 92 N 0.15 -0.50 -0.90 0.81 2.43 0.20 -2.86 114.38 113.72 1ajy h ARG 92 Ca -0.08 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.33 1ajy h ARG 92 Cb 1.64 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 31.19 1ajy h ARG 92 CO 0.16 -0.25 0.42 -0.07 -1.51 0.00 0.00 179.97 178.72 1ajy h LEU 93 N -1.08 0.41 -1.41 3.80 3.38 -1.41 1.62 115.31 120.62 1ajy h LEU 93 Ca -0.05 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1ajy h LEU 93 Cb 0.48 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1ajy h LEU 93 CO 0.09 0.06 0.48 0.11 0.09 0.00 0.00 178.44 179.27 1ajy h LYS 94 N 0.47 0.66 -0.02 1.13 1.57 -1.52 -1.60 116.57 117.25 1ajy h LYS 94 Ca 0.54 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1ajy h LYS 94 Cb 0.98 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1ajy h LYS 94 CO -0.48 0.44 -0.26 0.00 -0.57 0.00 0.00 179.45 178.58 1ajy n ALA 95 N -2.46 3.03 -0.03 3.86 0.00 0.24 -0.54 120.51 124.61 1ajy n ALA 95 Ca 0.12 -0.61 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 1ajy n ALA 95 Cb 0.30 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1ajy n ALA 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ajy h LEU 96 N 2.77 0.41 -1.46 0.00 6.46 0.30 -3.43 115.31 120.35 1ajy h LEU 96 Ca 0.00 -0.65 -0.07 0.00 -0.12 0.00 0.00 57.88 57.04 1ajy h LEU 96 Cb 0.72 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1ajy h LEU 96 CO 0.00 0.99 -0.15 0.00 -0.62 0.00 0.00 178.44 178.66 1ajy n LEU 97 N -4.42 -0.53 -0.02 2.25 -0.00 -1.15 -4.91 117.00 108.22 1ajy n LEU 97 Ca -0.08 -1.30 0.00 0.00 -0.00 0.00 0.00 56.01 54.62 1ajy n LEU 97 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.86 1ajy n LEU 97 CO 0.42 1.15 -0.69 -0.11 -0.00 0.00 0.00 177.39 178.16 1ajy n LEU 98 N 0.00 0.00 -0.09 1.47 7.94 -1.15 -4.65 117.00 120.51 1ajy n LEU 98 Ca -0.15 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.66 1ajy n LEU 98 Cb 0.53 0.10 -0.15 0.00 0.53 0.00 0.00 43.42 44.43 1ajy n LEU 98 CO -0.07 0.10 -1.12 1.21 -1.11 0.00 0.00 177.39 176.40 1ajy n GLU 99 N -2.06 0.83 0.00 1.96 2.13 0.30 -4.98 120.64 118.81 1ajy n GLU 99 Ca -0.08 -0.01 0.15 0.00 0.66 0.00 0.00 57.16 57.88 1ajy n GLU 99 Cb 0.50 -1.50 0.74 0.00 0.27 0.00 0.00 31.44 31.45 1ajy n GLU 99 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26