#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 0.31 -0.14 7.83 1.04 -1.26 -5.02 113.70 116.46 1ajy s SER 31 Ca 0.00 -1.30 -0.07 0.00 0.48 0.00 0.00 55.95 55.06 1ajy s SER 31 Cb 0.00 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 1ajy s SER 31 CO 0.00 -1.63 0.11 -0.69 0.98 0.00 0.00 173.24 172.00 1ajy s VAL 32 N -2.31 5.24 0.49 5.02 1.01 -1.26 -4.99 120.40 123.59 1ajy s VAL 32 Ca 0.20 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1ajy s VAL 32 Cb -0.04 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1ajy s VAL 32 CO 0.15 0.57 0.86 0.00 0.00 0.00 0.00 175.10 176.67 1ajy s ALA 33 N -0.59 3.27 1.11 5.51 0.00 -1.26 -4.77 121.76 125.03 1ajy s ALA 33 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 1ajy s ALA 33 Cb -0.12 -2.80 0.26 0.00 0.00 0.00 0.00 23.12 20.46 1ajy s ALA 33 CO 0.02 -0.28 1.22 0.00 0.00 0.00 0.00 175.76 176.72 1ajy h LEU 35 N 0.00 0.33 -0.18 0.00 4.07 -1.83 -0.87 115.31 116.82 1ajy h LEU 35 Ca -0.42 -0.13 -0.16 0.00 0.08 0.00 0.00 57.88 57.25 1ajy h LEU 35 Cb 1.21 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1ajy h LEU 35 CO 0.29 0.67 -0.50 -1.28 -1.08 0.00 0.00 178.44 176.54 1ajy h SER 36 N 0.28 0.76 0.70 -0.43 0.87 -1.92 -1.99 113.55 111.81 1ajy h SER 36 Ca 0.03 -0.58 -0.04 0.00 -1.23 0.00 0.00 61.79 59.97 1ajy h SER 36 Cb 0.76 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1ajy h SER 36 CO 0.06 1.20 -0.21 0.00 -0.53 0.00 0.00 176.83 177.36 1ajy h ARG 38 N 0.00 0.61 -0.30 0.00 2.47 -1.00 1.03 114.38 117.20 1ajy h ARG 38 Ca -0.00 -0.85 -0.03 0.00 -1.26 0.00 0.00 59.98 57.83 1ajy h ARG 38 Cb 0.61 0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1ajy h ARG 38 CO 0.03 1.39 0.04 -0.22 0.56 0.00 0.00 179.97 181.77 1ajy h LYS 39 N 0.25 0.44 -0.35 0.04 3.11 -1.18 -2.26 116.57 116.62 1ajy h LYS 39 Ca -0.20 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1ajy h LYS 39 Cb 1.97 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 33.13 1ajy h LYS 39 CO 0.25 0.44 0.00 0.54 -2.81 0.00 0.00 179.45 177.87 1ajy n ARG 40 N -4.34 2.30 -3.44 1.90 1.74 -1.10 -4.99 116.66 108.72 1ajy n ARG 40 Ca 0.01 -2.08 -0.20 0.00 -0.77 0.00 0.00 57.85 54.81 1ajy n ARG 40 Cb 0.19 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.10 -2.29 -4.04 -1.55 8.25 0.31 -4.97 115.22 112.02 1ajy n HIS 41 Ca 0.16 0.73 -0.34 0.00 -0.26 0.00 0.00 57.72 58.01 1ajy n HIS 41 Cb 0.50 -3.73 -0.07 0.00 1.12 0.00 0.00 29.99 27.82 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 -3.32 5.02 -1.19 1.59 1.01 0.33 -4.99 121.20 119.64 1ajy s ILE 42 Ca 0.35 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 1ajy s ILE 42 Cb -0.09 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1ajy s ILE 42 CO 0.81 0.44 1.94 0.29 0.00 0.00 0.00 174.94 178.42 1ajy n LYS 43 N 1.44 2.34 -1.60 2.79 4.76 -1.26 -4.79 118.16 121.84 1ajy n LYS 43 Ca -0.15 -2.60 -0.46 0.00 -2.87 0.00 0.00 58.31 52.23 1ajy n LYS 43 Cb 0.53 -3.38 -0.02 0.00 -1.84 0.00 0.00 35.03 30.32 1ajy n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ajy h PRO 45 N 2.64 0.07 0.00 0.00 0.14 -1.93 -3.46 132.00 129.46 1ajy h PRO 45 Ca -0.41 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.71 1ajy h PRO 45 Cb 1.33 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.46 1ajy h PRO 45 CO 0.65 0.22 0.00 0.41 0.14 0.00 0.00 178.00 179.42 1ajy n GLY 46 N -0.63 0.99 3.84 1.56 0.00 -1.26 -4.71 105.19 104.98 1ajy n GLY 46 Ca -0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 0.23 -0.29 -0.02 0.00 -1.26 -5.00 107.32 100.98 1ajy s GLY 47 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1ajy s GLY 47 CO 0.00 1.00 0.35 -1.31 0.00 0.00 0.00 173.10 173.14 1ajy s ASN 48 N -3.22 1.02 1.00 1.64 0.02 -1.26 -2.77 114.94 111.36 1ajy s ASN 48 Ca 0.18 -0.56 -0.12 0.00 -1.02 0.00 0.00 52.86 51.35 1ajy s ASN 48 Cb -0.04 0.81 0.19 0.00 0.02 0.00 0.00 41.25 42.23 1ajy s ASN 48 CO 0.08 -0.37 1.08 -2.16 0.02 0.00 0.00 177.10 175.75 1ajy s PRO 49 N 2.45 0.44 0.00 -0.60 0.05 -1.26 -5.17 135.00 130.91 1ajy s PRO 49 Ca 0.10 0.81 0.00 0.00 0.05 0.00 0.00 61.00 61.95 1ajy s PRO 49 Cb -0.13 -1.71 0.00 0.00 0.05 0.00 0.00 34.50 32.70 1ajy s PRO 49 CO -0.31 -2.80 0.00 0.00 0.05 0.00 0.00 177.00 173.94 1ajy n GLN 51 N 0.00 0.04 0.26 0.00 -0.06 -1.26 -4.52 117.38 111.84 1ajy n GLN 51 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 1ajy n GLN 51 Cb 0.00 -0.60 0.78 0.00 -4.06 0.00 0.00 30.24 26.36 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 -1.97 0.15 116.57 120.26 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 0.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 1ajy h LYS 52 CO 0.00 0.00 -2.30 0.00 -1.08 0.00 0.00 179.45 176.07 1ajy h VAL 54 N 0.02 1.12 0.04 0.00 2.07 -1.67 -0.36 116.25 117.48 1ajy h VAL 54 Ca -0.52 -0.50 -0.25 0.00 0.82 0.00 0.00 66.70 66.25 1ajy h VAL 54 Cb 1.97 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1ajy h VAL 54 CO -0.02 0.16 -1.03 0.00 0.02 0.00 0.00 177.57 176.70 1ajy h THR 55 N 0.23 1.39 0.00 2.57 1.03 -0.87 -3.41 112.91 113.85 1ajy h THR 55 Ca 0.05 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 63.92 1ajy h THR 55 Cb 0.21 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.83 1ajy h THR 55 CO 0.01 0.76 0.00 -1.20 -0.01 0.00 0.00 175.52 175.07 1ajy n SER 56 N -3.72 0.00 0.00 0.00 7.64 -0.75 -5.02 113.62 111.77 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 0.89 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -0.39 0.00 -4.45 6.43 0.23 -0.22 -5.06 115.26 111.81 1ajy n ASN 57 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.80 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 2.63 0.26 -2.53 0.00 -0.87 -5.04 121.76 116.21 1ajy s ALA 58 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.89 1ajy s ALA 58 Cb 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1ajy s ALA 58 CO 0.00 0.33 1.00 0.42 0.00 0.00 0.00 175.76 177.50 1ajy s ILE 59 N -2.20 3.88 -0.30 0.00 1.01 -1.26 -4.22 121.20 118.12 1ajy s ILE 59 Ca 0.26 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.70 1ajy s ILE 59 Cb -0.06 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1ajy s ILE 59 CO 0.13 0.41 0.06 0.00 0.00 0.00 0.00 174.94 175.54 1ajy s GLU 61 N 1.44 0.84 0.00 0.00 0.41 -1.26 -4.75 118.70 115.39 1ajy s GLU 61 Ca 0.01 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 1ajy s GLU 61 Cb -0.18 0.36 0.00 0.00 -1.78 0.00 0.00 34.13 32.53 1ajy s GLU 61 CO 0.01 -0.28 0.00 0.66 -0.49 0.00 0.00 175.26 175.17 1ajy n TYR 62 N 0.36 0.00 -2.92 1.61 4.01 -1.26 -3.85 117.16 115.11 1ajy n TYR 62 Ca -0.18 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.32 1ajy n TYR 62 Cb 0.60 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.64 1ajy n TYR 62 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ajy s LEU 63 N -4.37 3.65 -0.46 7.72 1.43 -1.26 -5.05 118.68 120.35 1ajy s LEU 63 Ca 0.00 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1ajy s LEU 63 Cb 0.00 -3.34 0.25 0.00 0.03 0.00 0.00 46.19 43.14 1ajy s LEU 63 CO 0.00 -0.67 0.82 1.21 0.23 0.00 0.00 176.35 177.95 1ajy n GLU 64 N -2.12 0.79 -0.50 1.70 2.13 -1.26 -5.14 120.64 116.24 1ajy n GLU 64 Ca 0.01 -2.15 -0.29 0.00 0.66 0.00 0.00 57.16 55.39 1ajy n GLU 64 Cb 0.57 -1.38 0.27 0.00 0.27 0.00 0.00 31.44 31.17 1ajy n GLU 64 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1ajy s PRO 65 N 0.11 -1.68 0.00 5.31 0.04 -1.26 -5.04 135.00 132.49 1ajy s PRO 65 Ca 0.32 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1ajy s PRO 65 Cb 0.23 -1.49 0.00 0.00 0.04 0.00 0.00 34.50 33.28 1ajy s PRO 65 CO -0.19 -4.16 0.00 0.43 0.04 0.00 0.00 177.00 173.12 1ajy n SER 66 N -5.18 0.00 -4.58 6.66 7.64 -1.26 -4.70 113.62 112.20 1ajy n SER 66 Ca 0.06 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.73 1ajy n SER 66 Cb 0.56 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 1ajy n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ajy s LYS 67 N 0.00 1.82 -0.30 1.43 1.02 -1.26 -4.68 119.74 117.78 1ajy s LYS 67 Ca 0.00 -0.76 -0.08 0.00 0.02 0.00 0.00 55.97 55.15 1ajy s LYS 67 Cb 0.00 -5.10 0.18 0.00 -0.52 0.00 0.00 37.83 32.39 1ajy s LYS 67 CO 0.00 -4.75 0.93 0.21 -0.92 0.00 0.00 175.35 170.83 1ajy s LYS 68 N 7.51 0.26 0.46 1.68 2.20 -1.26 -5.16 119.74 125.43 1ajy s LYS 68 Ca 0.75 0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 56.67 1ajy s LYS 68 Cb -0.03 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1ajy s LYS 68 CO 0.15 -0.40 0.76 -1.50 -0.36 0.00 0.00 175.35 174.01 1ajy s ILE 69 N 2.93 4.92 -0.30 5.43 -1.16 -1.26 -4.96 121.20 126.79 1ajy s ILE 69 Ca 0.14 0.19 -0.06 0.00 -0.51 0.00 0.00 60.65 60.41 1ajy s ILE 69 Cb -0.07 -3.85 0.19 0.00 0.61 0.00 0.00 42.46 39.33 1ajy s ILE 69 CO -0.19 -0.79 0.82 0.54 -2.81 0.00 0.00 174.94 172.51 1ajy s VAL 70 N -2.67 -0.66 0.00 4.00 0.11 -1.26 -5.13 120.40 114.79 1ajy s VAL 70 Ca 0.47 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1ajy s VAL 70 Cb -0.10 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1ajy s VAL 70 CO 0.43 0.00 0.00 1.33 -3.33 0.00 0.00 175.10 173.53 1ajy n VAL 71 N 5.41 0.00 -4.57 2.04 0.24 -1.26 -5.14 118.33 115.05 1ajy n VAL 71 Ca -0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.99 1ajy n VAL 71 Cb 0.53 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.71 2.65 0.44 -1.34 0.15 -1.26 -5.00 113.70 111.05 1ajy s SER 72 Ca 0.00 -0.48 0.11 0.00 0.70 0.00 0.00 55.95 56.28 1ajy s SER 72 Cb 0.00 -1.20 0.99 0.00 -1.71 0.00 0.00 66.02 64.10 1ajy s SER 72 CO 0.00 0.04 2.06 0.00 1.20 0.00 0.00 173.24 176.54 1ajy h THR 73 N 5.91 1.09 -0.13 6.45 1.03 -2.00 -1.54 112.91 123.71 1ajy h THR 73 Ca -0.31 -0.28 0.03 0.00 -0.01 0.00 0.00 66.41 65.85 1ajy h THR 73 Cb 1.18 0.87 -0.03 0.00 -1.07 0.00 0.00 68.15 69.10 1ajy h THR 73 CO 0.51 0.10 -0.05 0.50 -0.01 0.00 0.00 175.52 176.56 1ajy h LYS 74 N 0.27 -0.03 0.19 0.00 3.64 -1.99 0.53 116.57 119.18 1ajy h LYS 74 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1ajy h LYS 74 Cb 0.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ajy h LYS 74 CO -0.01 -0.02 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.14 1ajy h TYR 75 N -0.04 -0.24 -1.01 1.91 3.20 -1.82 -0.54 116.97 118.45 1ajy h TYR 75 Ca 0.07 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.13 1ajy h TYR 75 Cb 0.14 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.38 1ajy h TYR 75 CO -0.19 -0.11 0.61 -0.07 -1.64 0.00 0.00 178.16 176.76 1ajy h LEU 76 N -0.30 0.78 -0.24 2.82 -0.00 -0.73 0.03 115.31 117.68 1ajy h LEU 76 Ca -0.03 0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1ajy h LEU 76 Cb 0.23 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1ajy h LEU 76 CO 0.04 0.26 -0.05 -0.61 -0.00 0.00 0.00 178.44 178.09 1ajy h GLN 77 N 0.75 0.46 0.00 1.13 5.75 0.71 -2.15 115.11 121.76 1ajy h GLN 77 Ca 0.59 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1ajy h GLN 77 Cb 0.92 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.44 1ajy h GLN 77 CO -0.39 0.68 -0.02 0.37 -2.65 0.00 0.00 178.83 176.82 1ajy h GLN 78 N 0.20 0.00 -0.05 1.69 4.15 0.54 -0.64 115.11 121.00 1ajy h GLN 78 Ca 0.06 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1ajy h GLN 78 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1ajy h GLN 78 CO 0.02 0.02 -0.23 1.25 -1.93 0.00 0.00 178.83 177.96 1ajy h LEU 79 N 0.00 0.29 -0.15 -2.39 5.85 -0.66 -1.21 115.31 117.03 1ajy h LEU 79 Ca -0.00 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 1ajy h LEU 79 Cb 0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1ajy h LEU 79 CO 0.00 0.90 0.03 1.56 -0.34 0.00 0.00 178.44 180.59 1ajy h GLN 80 N -0.30 0.25 -0.93 1.25 4.20 -0.79 -2.20 115.11 116.60 1ajy h GLN 80 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1ajy h GLN 80 Cb 0.89 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1ajy h GLN 80 CO 0.05 0.41 0.54 0.87 -0.67 0.00 0.00 178.83 180.03 1ajy h LYS 81 N 0.05 1.27 -0.89 1.46 1.57 -1.22 -1.00 116.57 117.81 1ajy h LYS 81 Ca 0.05 -0.13 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1ajy h LYS 81 Cb 0.27 -0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1ajy h LYS 81 CO 0.00 0.90 0.58 0.22 -0.57 0.00 0.00 179.45 180.58 1ajy h ASP 82 N 1.28 0.81 -0.22 0.86 1.82 -0.94 0.28 116.42 120.32 1ajy h ASP 82 Ca 0.33 0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.84 1ajy h ASP 82 Cb -0.03 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1ajy h ASP 82 CO -0.06 0.48 -0.40 0.25 -1.61 0.00 0.00 179.24 177.91 1ajy h LEU 83 N 0.90 0.81 -1.15 2.28 6.46 -0.60 -2.25 115.31 121.77 1ajy h LEU 83 Ca 0.41 -0.37 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1ajy h LEU 83 Cb 0.39 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1ajy h LEU 83 CO -0.17 1.11 -0.42 -1.13 -0.62 0.00 0.00 178.44 177.20 1ajy h ASN 84 N 0.62 0.00 1.43 1.25 -1.24 0.02 -1.47 115.58 116.19 1ajy h ASN 84 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1ajy h ASN 84 Cb 0.95 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.00 1ajy h ASN 84 CO 0.09 0.42 0.00 -0.78 -1.29 0.00 0.00 177.43 175.87 1ajy h ASP 85 N 0.00 0.00 0.87 1.15 3.58 -0.20 0.70 116.42 122.52 1ajy h ASP 85 Ca -0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.21 1ajy h ASP 85 Cb 0.76 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1ajy h ASP 85 CO 0.05 0.00 -1.13 0.50 -2.88 0.00 0.00 179.24 175.79 1ajy h LYS 86 N 0.00 0.06 -0.05 0.28 1.63 -0.71 -1.09 116.57 116.69 1ajy h LYS 86 Ca 0.00 -0.10 -0.14 0.00 -0.85 0.00 0.00 60.65 59.56 1ajy h LYS 86 Cb 0.72 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1ajy h LYS 86 CO 0.00 1.00 -0.51 1.15 -3.45 0.00 0.00 179.45 177.64 1ajy h THR 87 N 0.02 1.41 -0.34 1.00 2.02 -0.91 0.36 112.91 116.47 1ajy h THR 87 Ca -0.07 -1.93 -0.04 0.00 0.77 0.00 0.00 66.41 65.14 1ajy h THR 87 Cb 1.84 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 70.65 1ajy h THR 87 CO 0.14 0.57 0.02 -0.33 0.37 0.00 0.00 175.52 176.28 1ajy h GLU 88 N -0.05 0.51 0.01 6.66 5.08 -0.91 0.18 114.58 126.06 1ajy h GLU 88 Ca -0.05 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ajy h GLU 88 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ajy h GLU 88 CO 0.10 0.53 -0.00 0.93 -1.00 0.00 0.00 179.01 179.57 1ajy h GLU 89 N 0.50 -0.01 -0.42 2.33 4.39 -1.08 -1.88 114.58 118.42 1ajy h GLU 89 Ca 0.11 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.93 1ajy h GLU 89 Cb 0.30 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1ajy h GLU 89 CO 0.01 0.61 0.40 -0.91 -1.16 0.00 0.00 179.01 177.96 1ajy h ASN 90 N -0.63 0.00 -0.00 1.42 2.35 0.08 0.77 115.58 119.58 1ajy h ASN 90 Ca -0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1ajy h ASN 90 Cb 0.62 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.01 1ajy h ASN 90 CO 0.00 0.00 -1.04 0.78 -1.65 0.00 0.00 177.43 175.52 1ajy h ASN 91 N 0.00 0.92 0.04 5.81 2.35 -0.67 -2.58 115.58 121.45 1ajy h ASN 91 Ca 0.20 -0.74 -0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1ajy h ASN 91 Cb 1.00 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1ajy h ASN 91 CO -0.00 1.54 -0.02 -0.09 -1.65 0.00 0.00 177.43 177.21 1ajy h ARG 92 N 0.40 -0.06 -0.72 0.81 2.43 0.42 -2.92 114.38 114.74 1ajy h ARG 92 Ca -0.13 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.25 1ajy h ARG 92 Cb 1.70 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.23 1ajy h ARG 92 CO 0.21 0.19 0.69 1.25 -1.51 0.00 0.00 179.97 180.79 1ajy h LEU 93 N -1.00 0.00 -0.14 3.80 6.46 0.19 1.08 115.31 125.70 1ajy h LEU 93 Ca -0.01 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.52 1ajy h LEU 93 Cb 0.27 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1ajy h LEU 93 CO 0.01 0.00 -0.88 0.50 -0.62 0.00 0.00 178.44 177.45 1ajy h LYS 94 N 0.00 0.67 -0.42 1.25 3.64 -1.49 -2.79 116.57 117.43 1ajy h LYS 94 Ca 0.34 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1ajy h LYS 94 Cb 1.72 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1ajy h LYS 94 CO -0.00 1.23 0.00 0.00 -2.27 0.00 0.00 179.45 178.40 1ajy n ALA 95 N -2.60 2.44 -0.03 5.00 0.00 0.32 -2.71 120.51 122.92 1ajy n ALA 95 Ca -0.08 -0.86 0.03 0.00 0.00 0.00 0.00 53.44 52.53 1ajy n ALA 95 Cb 0.80 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 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 1.02 0.00 -0.01 0.00 7.94 0.20 -4.59 117.00 121.57 1ajy n LEU 96 Ca 0.18 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.11 1ajy n LEU 96 Cb 0.47 0.12 -0.06 0.00 0.53 0.00 0.00 43.42 44.48 1ajy n LEU 96 CO 0.13 0.12 -0.61 0.18 -1.11 0.00 0.00 177.39 176.11 1ajy n LEU 97 N -2.22 0.00 -0.09 -1.96 4.77 -1.06 -4.11 117.00 112.33 1ajy n LEU 97 Ca -0.10 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1ajy n LEU 97 Cb 0.60 0.02 0.43 0.00 -2.33 0.00 0.00 43.42 42.15 1ajy n LEU 97 CO 0.33 0.02 1.19 0.25 -1.33 0.00 0.00 177.39 177.85 1ajy h LEU 98 N 0.00 0.49 0.00 2.23 6.46 -1.73 -2.10 115.31 120.66 1ajy h LEU 98 Ca -0.02 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.56 1ajy h LEU 98 Cb 0.48 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1ajy h LEU 98 CO 0.00 0.32 -1.69 1.21 -0.62 0.00 0.00 178.44 177.66 1ajy n GLU 99 N -4.48 0.64 0.00 1.25 4.07 -1.26 -5.12 120.64 115.75 1ajy n GLU 99 Ca 0.08 0.11 0.13 0.00 -0.06 0.00 0.00 57.16 57.42 1ajy n GLU 99 Cb 0.24 -1.71 0.34 0.00 -0.06 0.00 0.00 31.44 30.25 1ajy n GLU 99 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61