#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 2.82 -0.52 7.83 0.01 -1.26 -5.10 113.70 117.49 1ajy s SER 31 Ca 0.00 -1.00 -0.23 0.00 1.31 0.00 0.00 55.95 56.03 1ajy s SER 31 Cb 0.00 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.17 1ajy s SER 31 CO 0.00 -0.41 0.84 -0.69 0.41 0.00 0.00 173.24 173.39 1ajy s VAL 32 N 2.18 4.55 1.20 3.43 1.01 -1.26 -5.03 120.40 126.48 1ajy s VAL 32 Ca 0.08 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1ajy s VAL 32 Cb -0.16 -4.44 0.30 0.00 0.00 0.00 0.00 36.38 32.09 1ajy s VAL 32 CO -0.30 -0.97 1.02 0.00 0.00 0.00 0.00 175.10 174.85 1ajy s ALA 33 N 3.52 -0.74 1.05 5.51 0.00 -1.26 -4.97 121.76 124.86 1ajy s ALA 33 Ca 0.27 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 1ajy s ALA 33 Cb -0.14 -3.25 0.21 0.00 0.00 0.00 0.00 23.12 19.94 1ajy s ALA 33 CO 0.18 -4.03 1.09 0.00 0.00 0.00 0.00 175.76 173.00 1ajy h LEU 35 N -2.08 -0.77 -0.60 0.00 -0.00 -1.72 0.40 115.31 110.55 1ajy h LEU 35 Ca -0.55 0.09 0.12 0.00 -0.00 0.00 0.00 57.88 57.54 1ajy h LEU 35 Cb 1.33 0.30 -0.12 0.00 -0.00 0.00 0.00 40.66 42.18 1ajy h LEU 35 CO 0.55 -0.21 -0.18 0.28 -0.00 0.00 0.00 178.44 178.88 1ajy h SER 36 N -0.25 -0.64 0.52 -0.43 0.02 -1.90 0.83 113.55 111.70 1ajy h SER 36 Ca 0.02 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1ajy h SER 36 Cb 0.30 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1ajy h SER 36 CO -0.20 -0.22 -0.01 0.00 -1.14 0.00 0.00 176.83 175.26 1ajy h ARG 38 N 0.00 0.54 -0.34 0.00 9.65 0.51 0.57 114.38 125.31 1ajy h ARG 38 Ca -0.00 -0.56 -0.06 0.00 -1.10 0.00 0.00 59.98 58.26 1ajy h ARG 38 Cb 0.27 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1ajy h ARG 38 CO 0.00 1.18 -0.05 -0.22 2.80 0.00 0.00 179.97 183.68 1ajy h LYS 39 N 0.12 0.56 -0.22 0.20 3.11 -0.93 -2.50 116.57 116.92 1ajy h LYS 39 Ca -0.09 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1ajy h LYS 39 Cb 1.43 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1ajy h LYS 39 CO 0.15 0.63 0.00 0.54 -2.81 0.00 0.00 179.45 177.95 1ajy n ARG 40 N -4.23 2.39 -3.56 1.90 1.74 -1.11 -4.98 116.66 108.81 1ajy n ARG 40 Ca 0.01 -2.11 -0.26 0.00 -0.77 0.00 0.00 57.85 54.73 1ajy n ARG 40 Cb 0.29 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.41 -2.07 -3.80 -1.55 8.25 0.12 -4.99 115.22 112.59 1ajy n HIS 41 Ca 0.17 0.60 -0.21 0.00 -0.26 0.00 0.00 57.72 58.01 1ajy n HIS 41 Cb 0.60 -3.70 -0.03 0.00 1.12 0.00 0.00 29.99 27.97 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 -3.46 3.92 -0.91 1.59 -1.09 0.16 -5.00 121.20 116.41 1ajy s ILE 42 Ca 0.44 -1.27 -0.20 0.00 -2.23 0.00 0.00 60.65 57.38 1ajy s ILE 42 Cb -0.13 -3.32 0.11 0.00 -1.58 0.00 0.00 42.46 37.55 1ajy s ILE 42 CO 0.82 -0.21 1.16 -1.59 -1.23 0.00 0.00 174.94 173.89 1ajy s LYS 43 N -4.00 3.53 0.26 2.79 -2.85 -1.26 -4.79 119.74 113.41 1ajy s LYS 43 Ca 0.40 -1.52 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 1ajy s LYS 43 Cb -0.07 -4.89 -0.11 0.00 -2.06 0.00 0.00 37.83 30.70 1ajy s LYS 43 CO 0.27 -1.85 1.53 0.00 0.10 0.00 0.00 175.35 175.40 1ajy n PRO 45 N 2.52 0.00 0.00 0.00 -0.05 -1.26 -4.97 135.00 131.24 1ajy n PRO 45 Ca 0.09 0.49 0.00 0.00 -0.05 0.00 0.00 63.50 64.03 1ajy n PRO 45 Cb 0.39 -1.42 0.00 0.00 -0.05 0.00 0.00 33.50 32.42 1ajy n PRO 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1ajy n GLY 46 N -0.53 0.53 0.00 0.55 0.00 -1.26 -5.11 105.19 99.37 1ajy n GLY 46 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ajy n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajy n GLY 47 N 0.00 0.91 2.70 -0.02 0.00 -1.26 -4.98 105.19 102.55 1ajy n GLY 47 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 1ajy n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ajy s ASN 48 N 0.00 3.32 0.86 1.61 0.02 -1.26 -0.92 114.94 118.58 1ajy s ASN 48 Ca 0.00 -1.13 -0.11 0.00 -1.02 0.00 0.00 52.86 50.60 1ajy s ASN 48 Cb 0.00 -0.63 0.11 0.00 0.02 0.00 0.00 41.25 40.75 1ajy s ASN 48 CO 0.00 -0.36 1.09 -2.16 0.02 0.00 0.00 177.10 175.70 1ajy s PRO 49 N 1.83 1.52 0.00 -0.60 0.05 -1.26 -5.16 135.00 131.38 1ajy s PRO 49 Ca 0.04 1.04 0.00 0.00 0.05 0.00 0.00 61.00 62.12 1ajy s PRO 49 Cb -0.17 -1.82 0.00 0.00 0.05 0.00 0.00 34.50 32.56 1ajy s PRO 49 CO -0.17 -2.12 0.00 0.00 0.05 0.00 0.00 177.00 174.76 1ajy n GLN 51 N 0.00 0.00 0.28 0.00 -0.06 -1.26 -4.60 117.38 111.74 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 -0.49 0.82 0.00 -4.06 0.00 0.00 30.24 26.51 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 0.10 116.57 120.22 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 0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 1ajy h LYS 52 CO 0.00 0.05 -2.31 0.00 -1.08 0.00 0.00 179.45 176.11 1ajy h VAL 54 N 0.02 1.13 0.00 0.00 2.07 -1.67 0.12 116.25 117.92 1ajy h VAL 54 Ca -0.52 -0.42 -0.22 0.00 0.82 0.00 0.00 66.70 66.35 1ajy h VAL 54 Cb 1.96 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1ajy h VAL 54 CO -0.03 0.16 -0.93 0.00 0.02 0.00 0.00 177.57 176.79 1ajy h THR 55 N 0.42 1.42 0.00 2.57 1.03 -1.13 -3.41 112.91 113.81 1ajy h THR 55 Ca 0.10 -2.48 0.00 0.00 -0.01 0.00 0.00 66.41 64.02 1ajy h THR 55 Cb 0.12 2.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1ajy h THR 55 CO -0.01 0.74 0.00 -1.20 -0.01 0.00 0.00 175.52 175.04 1ajy n SER 56 N -3.73 0.00 0.00 0.00 7.64 -0.63 -5.02 113.62 111.88 1ajy n SER 56 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ajy n SER 56 Cb 0.83 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 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 -0.38 0.00 -4.36 6.43 0.23 -0.06 -5.06 115.26 112.06 1ajy n ASN 57 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 1ajy n ASN 57 Cb 0.00 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.58 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 2.18 0.38 -2.53 0.00 -0.89 -5.04 121.76 115.85 1ajy s ALA 58 Ca 0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 51.96 50.25 1ajy s ALA 58 Cb 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 1ajy s ALA 58 CO 0.00 0.40 1.09 0.42 0.00 0.00 0.00 175.76 177.67 1ajy s ILE 59 N -1.45 3.50 -0.27 0.00 1.01 -1.26 -4.15 121.20 118.58 1ajy s ILE 59 Ca 0.14 1.24 -0.01 0.00 0.00 0.00 0.00 60.65 62.02 1ajy s ILE 59 Cb -0.09 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1ajy s ILE 59 CO 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 174.94 175.06 1ajy s GLU 61 N 1.29 0.83 0.00 0.00 0.41 -1.26 -4.71 118.70 115.26 1ajy s GLU 61 Ca -0.02 0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 1ajy s GLU 61 Cb -0.18 0.38 0.00 0.00 -1.78 0.00 0.00 34.13 32.56 1ajy s GLU 61 CO -0.03 -0.24 0.00 0.66 -0.49 0.00 0.00 175.26 175.16 1ajy n TYR 62 N 1.19 -0.05 -2.04 1.61 4.01 -1.26 -2.30 117.16 118.32 1ajy n TYR 62 Ca -0.20 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.12 1ajy n TYR 62 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1ajy n TYR 62 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1ajy n LEU 63 N 0.00 7.07 -4.65 7.72 4.77 -1.26 -4.99 117.00 125.66 1ajy n LEU 63 Ca 0.00 -4.52 -0.37 0.00 -0.03 0.00 0.00 56.01 51.09 1ajy n LEU 63 Cb 0.00 -1.52 0.07 0.00 -2.33 0.00 0.00 43.42 39.64 1ajy n LEU 63 CO 0.00 1.45 0.66 -1.84 -1.33 0.00 0.00 177.39 176.33 1ajy n GLU 64 N 4.17 0.82 -1.96 3.23 0.28 -1.26 -4.90 120.64 121.01 1ajy n GLU 64 Ca 0.49 0.33 -0.41 0.00 -0.16 0.00 0.00 57.16 57.41 1ajy n GLU 64 Cb 0.34 -2.31 -0.02 0.00 1.43 0.00 0.00 31.44 30.89 1ajy n GLU 64 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1ajy s PRO 65 N -3.18 4.24 -0.30 3.44 0.05 -1.26 -4.99 135.00 133.00 1ajy s PRO 65 Ca 0.78 2.37 -0.17 0.00 0.05 0.00 0.00 61.00 64.02 1ajy s PRO 65 Cb -0.38 -3.06 0.18 0.00 0.05 0.00 0.00 34.50 31.29 1ajy s PRO 65 CO 0.46 -0.42 1.20 0.45 0.05 0.00 0.00 177.00 178.74 1ajy s SER 66 N 0.11 -0.18 0.00 6.66 0.15 -1.26 -5.05 113.70 114.13 1ajy s SER 66 Ca 0.57 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1ajy s SER 66 Cb -0.43 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1ajy s SER 66 CO 0.49 -0.03 0.59 1.17 1.20 0.00 0.00 173.24 176.65 1ajy n LYS 67 N 5.09 0.00 -4.25 5.44 4.81 -1.26 -5.09 118.16 122.90 1ajy n LYS 67 Ca -0.08 -0.50 -0.35 0.00 -0.87 0.00 0.00 58.31 56.51 1ajy n LYS 67 Cb 0.55 -0.33 -0.09 0.00 0.02 0.00 0.00 35.03 35.18 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 0.00 3.20 0.26 1.64 3.01 -1.26 -5.09 119.74 121.50 1ajy s LYS 68 Ca 0.00 -0.35 -0.21 0.00 -1.01 0.00 0.00 55.97 54.39 1ajy s LYS 68 Cb 0.00 -2.92 -0.09 0.00 -1.01 0.00 0.00 37.83 33.82 1ajy s LYS 68 CO 0.00 0.65 0.79 -1.50 0.51 0.00 0.00 175.35 175.81 1ajy s ILE 69 N -0.72 4.46 -0.32 2.17 1.10 -1.26 -5.04 121.20 121.59 1ajy s ILE 69 Ca 0.12 1.44 0.02 0.00 -0.51 0.00 0.00 60.65 61.72 1ajy s ILE 69 Cb -0.12 -3.89 0.15 0.00 0.15 0.00 0.00 42.46 38.75 1ajy s ILE 69 CO 0.02 0.17 0.39 -0.69 -2.11 0.00 0.00 174.94 172.72 1ajy s VAL 70 N -1.57 -0.52 0.00 4.00 1.01 -1.26 -5.06 120.40 117.00 1ajy s VAL 70 Ca 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1ajy s VAL 70 Cb -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1ajy s VAL 70 CO 0.22 -0.39 0.00 0.52 0.00 0.00 0.00 175.10 175.44 1ajy n VAL 71 N 5.00 0.00 -3.59 2.92 0.31 -1.26 -5.14 118.33 116.57 1ajy n VAL 71 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1ajy n VAL 71 Cb 0.48 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 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 1.68 0.32 0.25 4.52 0.15 -1.26 -5.02 113.70 114.34 1ajy s SER 72 Ca 0.00 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 1ajy s SER 72 Cb 0.00 0.89 0.42 0.00 -1.71 0.00 0.00 66.02 65.61 1ajy s SER 72 CO 0.00 -0.26 1.83 0.00 1.20 0.00 0.00 173.24 176.01 1ajy h THR 73 N 6.25 0.95 -0.88 6.45 1.03 -2.00 -0.10 112.91 124.60 1ajy h THR 73 Ca -0.16 -0.31 0.12 0.00 -0.01 0.00 0.00 66.41 66.05 1ajy h THR 73 Cb 1.12 -0.02 -0.07 0.00 -1.07 0.00 0.00 68.15 68.12 1ajy h THR 73 CO 0.17 0.16 0.57 0.50 -0.01 0.00 0.00 175.52 176.91 1ajy h LYS 74 N 0.89 0.76 -0.06 0.00 3.11 -1.98 0.55 116.57 119.84 1ajy h LYS 74 Ca 0.42 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.19 1ajy h LYS 74 Cb 0.34 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1ajy h LYS 74 CO -0.23 0.50 -0.03 -0.92 -2.81 0.00 0.00 179.45 175.97 1ajy h TYR 75 N 0.78 0.14 -0.16 1.91 3.20 -1.45 -2.32 116.97 119.08 1ajy h TYR 75 Ca 0.42 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.19 1ajy h TYR 75 Cb 0.54 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1ajy h TYR 75 CO -0.00 0.50 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.73 1ajy h LEU 76 N -0.25 0.26 0.09 2.82 -0.00 -0.70 -2.87 115.31 114.66 1ajy h LEU 76 Ca 0.01 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1ajy h LEU 76 Cb 0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1ajy h LEU 76 CO 0.01 0.49 -0.04 -0.61 -0.00 0.00 0.00 178.44 178.28 1ajy h GLN 77 N 0.25 -0.12 -0.32 1.13 5.75 0.19 -1.97 115.11 120.02 1ajy h GLN 77 Ca 0.04 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.64 1ajy h GLN 77 Cb 0.52 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1ajy h GLN 77 CO 0.03 0.03 0.24 1.96 -2.65 0.00 0.00 178.83 178.45 1ajy h GLN 78 N -0.25 0.00 -0.07 1.69 1.08 -1.26 -1.48 115.11 114.83 1ajy h GLN 78 Ca -0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1ajy h GLN 78 Cb 0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1ajy h GLN 78 CO 0.02 0.00 -0.02 1.25 -0.95 0.00 0.00 178.83 179.13 1ajy h LEU 79 N 0.00 0.14 -0.05 1.46 5.85 -1.16 -2.30 115.31 119.24 1ajy h LEU 79 Ca 0.15 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1ajy h LEU 79 Cb 0.64 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1ajy h LEU 79 CO -0.00 0.50 -0.05 1.56 -0.34 0.00 0.00 178.44 180.11 1ajy h GLN 80 N -0.22 -0.06 -0.83 1.25 4.20 -0.70 -1.56 115.11 117.18 1ajy h GLN 80 Ca 0.02 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.84 1ajy h GLN 80 Cb 0.44 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1ajy h GLN 80 CO 0.01 -0.04 0.54 0.87 -0.67 0.00 0.00 178.83 179.54 1ajy h LYS 81 N -0.06 0.71 -0.72 1.46 1.57 -1.44 0.35 116.57 118.44 1ajy h LYS 81 Ca 0.04 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1ajy h LYS 81 Cb 0.12 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1ajy h LYS 81 CO -0.09 0.47 0.47 0.22 -0.57 0.00 0.00 179.45 179.95 1ajy h ASP 82 N 0.73 0.49 0.05 0.86 1.82 -0.69 0.22 116.42 119.89 1ajy h ASP 82 Ca 0.40 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1ajy h ASP 82 Cb 0.54 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1ajy h ASP 82 CO -0.16 0.28 -0.02 0.25 -1.61 0.00 0.00 179.24 177.97 1ajy h LEU 83 N 0.53 -0.05 -2.23 2.28 6.46 -0.04 -1.08 115.31 121.18 1ajy h LEU 83 Ca 0.34 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1ajy h LEU 83 Cb 0.59 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1ajy h LEU 83 CO -0.11 0.16 0.06 -1.13 -0.62 0.00 0.00 178.44 176.79 1ajy h ASN 84 N -0.26 0.00 0.89 1.25 -1.24 -0.80 0.70 115.58 116.12 1ajy h ASN 84 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1ajy h ASN 84 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1ajy h ASN 84 CO 0.01 0.00 0.00 -0.78 -1.29 0.00 0.00 177.43 175.37 1ajy h ASP 85 N 0.00 0.00 0.60 1.15 1.82 0.62 -0.26 116.42 120.35 1ajy h ASP 85 Ca 0.03 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.45 1ajy h ASP 85 Cb 0.16 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1ajy h ASP 85 CO -0.00 0.00 -1.02 0.50 -1.61 0.00 0.00 179.24 177.11 1ajy h LYS 86 N 0.00 0.24 -0.08 0.28 3.64 0.11 0.01 116.57 120.76 1ajy h LYS 86 Ca 0.00 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1ajy h LYS 86 Cb 0.45 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ajy h LYS 86 CO 0.00 1.07 -0.37 1.15 -2.27 0.00 0.00 179.45 179.03 1ajy h THR 87 N 0.11 1.40 -0.32 1.00 2.02 -1.11 0.44 112.91 116.45 1ajy h THR 87 Ca -0.07 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.32 1ajy h THR 87 Cb 1.69 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 70.36 1ajy h THR 87 CO 0.16 0.51 0.00 -0.33 0.37 0.00 0.00 175.52 176.23 1ajy h GLU 88 N -0.06 0.49 0.06 6.66 5.08 -1.09 0.62 114.58 126.34 1ajy h GLU 88 Ca -0.02 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ajy h GLU 88 Cb 1.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ajy h GLU 88 CO 0.08 0.51 -0.03 0.93 -1.00 0.00 0.00 179.01 179.50 1ajy h GLU 89 N 0.47 -0.08 -0.49 2.33 4.39 -0.85 -1.31 114.58 119.04 1ajy h GLU 89 Ca 0.10 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.95 1ajy h GLU 89 Cb 0.30 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1ajy h GLU 89 CO 0.01 0.48 0.44 -0.91 -1.16 0.00 0.00 179.01 177.87 1ajy h ASN 90 N -0.72 0.00 0.11 1.42 2.35 0.17 0.98 115.58 119.90 1ajy h ASN 90 Ca -0.01 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.44 1ajy h ASN 90 Cb 0.59 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.99 1ajy h ASN 90 CO 0.01 0.00 -1.23 0.78 -1.65 0.00 0.00 177.43 175.34 1ajy h ASN 91 N 0.00 0.89 0.00 5.81 2.35 -0.64 -2.81 115.58 121.18 1ajy h ASN 91 Ca 0.23 -0.81 -0.01 0.00 -0.55 0.00 0.00 56.30 55.16 1ajy h ASN 91 Cb 1.10 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 1ajy h ASN 91 CO -0.00 1.61 -0.19 -0.09 -1.65 0.00 0.00 177.43 177.11 1ajy h ARG 92 N 0.30 0.00 -1.07 0.81 2.43 0.58 -2.88 114.38 114.55 1ajy h ARG 92 Ca -0.18 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.30 1ajy h ARG 92 Cb 1.90 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.40 1ajy h ARG 92 CO 0.24 0.22 0.77 1.25 -1.51 0.00 0.00 179.97 180.93 1ajy h LEU 93 N -1.00 0.00 -0.12 3.80 5.85 0.64 1.45 115.31 125.94 1ajy h LEU 93 Ca -0.02 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.47 1ajy h LEU 93 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ajy h LEU 93 CO -0.01 0.00 -1.00 0.50 -0.34 0.00 0.00 178.44 177.59 1ajy h LYS 94 N 0.00 0.24 -0.01 1.25 3.64 -1.59 -2.85 116.57 117.24 1ajy h LYS 94 Ca 0.51 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ajy h LYS 94 Cb 2.04 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.95 1ajy h LYS 94 CO -0.01 1.06 -0.36 0.00 -2.27 0.00 0.00 179.45 177.86 1ajy n ALA 95 N -2.48 3.31 0.24 5.00 0.00 0.24 -2.70 120.51 124.12 1ajy n ALA 95 Ca -0.05 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 52.92 1ajy n ALA 95 Cb 0.88 -0.91 -0.16 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.10 0.25 -0.00 0.00 0.00 0.43 -4.40 117.00 113.18 1ajy n LEU 96 Ca 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 56.01 56.00 1ajy n LEU 96 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.85 1ajy n LEU 96 CO 0.26 0.06 -0.43 0.18 0.00 0.00 0.00 177.39 177.47 1ajy n LEU 97 N -2.07 0.01 0.17 -1.96 4.77 -1.08 -4.62 117.00 112.23 1ajy n LEU 97 Ca -0.02 -0.09 0.04 0.00 -0.03 0.00 0.00 56.01 55.91 1ajy n LEU 97 Cb 0.51 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 1ajy n LEU 97 CO 0.45 0.00 0.62 0.25 -1.33 0.00 0.00 177.39 177.38 1ajy h LEU 98 N 0.00 0.00 -1.02 2.23 5.85 -1.70 -2.91 115.31 117.75 1ajy h LEU 98 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ajy h LEU 98 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1ajy h LEU 98 CO 0.00 0.44 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.13 1ajy h GLU 99 N 0.00 0.00 0.00 1.25 4.81 -1.81 -3.51 114.58 115.32 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 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1ajy h GLU 99 CO 0.06 0.33 0.00 2.89 -0.73 0.00 0.00 179.01 181.56