#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 -5.93 -4.49 6.12 7.64 -1.26 -4.91 113.62 110.78 1ajy n SER 31 Ca 0.00 -0.84 -0.43 0.00 1.01 0.00 0.00 58.87 58.61 1ajy n SER 31 Cb 0.00 -3.99 -0.06 0.00 -1.01 0.00 0.00 64.21 59.15 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 -3.37 4.82 0.77 0.44 1.01 -1.26 -5.01 120.40 117.79 1ajy s VAL 32 Ca 0.40 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 1ajy s VAL 32 Cb -0.11 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.08 1ajy s VAL 32 CO 0.82 -0.70 1.13 0.00 0.00 0.00 0.00 175.10 176.35 1ajy s ALA 33 N 2.83 2.82 1.17 5.51 0.00 -1.26 -4.82 121.76 128.00 1ajy s ALA 33 Ca 0.20 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 1ajy s ALA 33 Cb -0.16 -2.85 0.27 0.00 0.00 0.00 0.00 23.12 20.39 1ajy s ALA 33 CO 0.17 -1.54 1.13 0.00 0.00 0.00 0.00 175.76 175.51 1ajy h LEU 35 N -2.44 0.85 -0.54 0.00 -0.00 -1.80 -1.35 115.31 110.03 1ajy h LEU 35 Ca -0.45 -0.29 -0.03 0.00 -0.00 0.00 0.00 57.88 57.11 1ajy h LEU 35 Cb 1.29 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.70 1ajy h LEU 35 CO 0.36 0.93 0.21 -1.28 -0.00 0.00 0.00 178.44 178.66 1ajy h SER 36 N 0.74 0.74 0.22 -0.43 0.87 -1.89 -1.04 113.55 112.76 1ajy h SER 36 Ca 0.15 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1ajy h SER 36 Cb 0.47 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1ajy h SER 36 CO 0.02 0.71 -0.15 0.00 -0.53 0.00 0.00 176.83 176.87 1ajy h ARG 38 N 0.00 0.63 0.00 0.00 -0.00 -0.35 -1.01 114.38 113.65 1ajy h ARG 38 Ca -0.00 -0.55 -0.05 0.00 -0.50 0.00 0.00 59.98 58.88 1ajy h ARG 38 Cb 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 1ajy h ARG 38 CO 0.02 1.16 -0.25 -0.22 0.00 0.00 0.00 179.97 180.68 1ajy h LYS 39 N 0.27 0.00 -0.02 0.04 3.11 -0.72 -2.51 116.57 116.74 1ajy h LYS 39 Ca -0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1ajy h LYS 39 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1ajy h LYS 39 CO 0.14 0.25 -0.14 0.54 -2.81 0.00 0.00 179.45 177.43 1ajy n ARG 40 N -3.60 1.79 -3.69 1.90 1.74 -0.58 -4.97 116.66 109.26 1ajy n ARG 40 Ca -0.01 -1.39 -0.22 0.00 -0.77 0.00 0.00 57.85 55.46 1ajy n ARG 40 Cb 0.39 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.61 -1.92 -3.75 -1.55 8.25 -0.48 -4.99 115.22 111.39 1ajy n HIS 41 Ca 0.14 0.80 -0.20 0.00 -0.26 0.00 0.00 57.72 58.20 1ajy n HIS 41 Cb 0.50 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 27.35 1ajy n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1ajy n ILE 42 N -4.22 0.00 -3.49 1.59 -5.35 -0.61 -5.05 119.36 102.23 1ajy n ILE 42 Ca -0.27 -1.72 -0.34 0.00 -0.27 0.00 0.00 62.75 60.15 1ajy n ILE 42 Cb 0.67 -0.16 -0.06 0.00 -1.74 0.00 0.00 39.64 38.35 1ajy n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1ajy n LYS 43 N -1.55 2.87 -1.61 6.28 4.81 -1.26 -4.86 118.16 122.83 1ajy n LYS 43 Ca -0.01 -4.55 -0.44 0.00 -0.87 0.00 0.00 58.31 52.44 1ajy n LYS 43 Cb 0.49 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.16 1ajy n LYS 43 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ajy h PRO 45 N 2.23 -0.73 0.00 0.00 0.10 -1.97 -3.45 132.00 128.17 1ajy h PRO 45 Ca -0.41 0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.74 1ajy h PRO 45 Cb 1.33 0.17 0.00 0.00 0.10 0.00 0.00 31.00 32.59 1ajy h PRO 45 CO 0.62 -0.49 0.00 0.41 0.10 0.00 0.00 178.00 178.64 1ajy n GLY 46 N -1.44 0.95 3.74 -0.55 0.00 -1.26 -4.97 105.19 101.66 1ajy n GLY 46 Ca -0.12 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 1.07 2.77 -0.02 0.00 -1.26 -4.96 105.19 102.80 1ajy n GLY 47 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.09 1.41 0.64 1.61 0.02 -1.26 -1.90 114.94 112.38 1ajy s ASN 48 Ca 0.17 -0.98 -0.15 0.00 -1.02 0.00 0.00 52.86 50.87 1ajy s ASN 48 Cb -0.05 0.57 -0.01 0.00 0.02 0.00 0.00 41.25 41.79 1ajy s ASN 48 CO 0.13 -0.35 1.11 -2.16 0.02 0.00 0.00 177.10 175.85 1ajy s PRO 49 N 2.09 2.88 0.00 -0.60 0.05 -1.26 -5.16 135.00 133.00 1ajy s PRO 49 Ca 0.12 1.40 0.00 0.00 0.05 0.00 0.00 61.00 62.57 1ajy s PRO 49 Cb -0.14 -1.96 0.00 0.00 0.05 0.00 0.00 34.50 32.45 1ajy s PRO 49 CO -0.24 -1.19 0.00 0.00 0.05 0.00 0.00 177.00 175.63 1ajy n GLN 51 N 0.00 0.08 0.30 0.00 -0.06 -1.26 -4.55 117.38 111.89 1ajy n GLN 51 Ca 0.00 0.00 0.18 0.00 -2.00 0.00 0.00 57.00 55.18 1ajy n GLN 51 Cb 0.00 -0.54 0.98 0.00 -4.06 0.00 0.00 30.24 26.62 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 0.01 3.69 1.57 -1.96 -0.26 116.57 119.62 1ajy h LYS 52 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1ajy h LYS 52 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1ajy h LYS 52 CO 0.00 0.03 -2.43 0.00 -0.57 0.00 0.00 179.45 176.48 1ajy h VAL 54 N 0.01 1.09 0.04 0.00 2.07 -1.66 0.83 116.25 118.64 1ajy h VAL 54 Ca -0.56 -0.20 -0.25 0.00 0.82 0.00 0.00 66.70 66.51 1ajy h VAL 54 Cb 1.93 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1ajy h VAL 54 CO -0.06 0.11 -1.06 0.00 0.02 0.00 0.00 177.57 176.57 1ajy h THR 55 N 0.58 1.38 -0.69 2.57 1.03 -1.21 -3.13 112.91 113.45 1ajy h THR 55 Ca 0.17 -2.54 -0.28 0.00 -0.01 0.00 0.00 66.41 63.76 1ajy h THR 55 Cb -0.01 2.55 -0.17 0.00 -1.07 0.00 0.00 68.15 69.46 1ajy h THR 55 CO -0.04 0.76 0.36 -1.20 -0.01 0.00 0.00 175.52 175.39 1ajy n SER 56 N -3.73 3.96 -3.98 0.00 7.64 -0.21 -4.92 113.62 112.39 1ajy n SER 56 Ca -0.09 -3.11 -0.39 0.00 1.01 0.00 0.00 58.87 56.30 1ajy n SER 56 Cb 0.90 -0.73 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 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 -4.24 -4.18 6.43 6.94 0.21 -4.93 115.26 115.09 1ajy n ASN 57 Ca 0.40 -1.18 -0.19 0.00 -0.02 0.00 0.00 54.58 53.59 1ajy n ASN 57 Cb 1.30 -1.55 -0.12 0.00 -2.36 0.00 0.00 39.78 37.05 1ajy n ASN 57 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ajy s ALA 58 N -3.35 1.26 0.13 -2.53 0.00 0.23 -4.98 121.76 112.52 1ajy s ALA 58 Ca 0.32 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.96 1ajy s ALA 58 Cb -0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 1ajy s ALA 58 CO 0.93 0.20 1.38 0.42 0.00 0.00 0.00 175.76 178.69 1ajy s ILE 59 N -1.19 3.27 -0.36 0.00 -1.09 -1.26 -4.13 121.20 116.44 1ajy s ILE 59 Ca -0.00 0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 59.29 1ajy s ILE 59 Cb -0.10 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1ajy s ILE 59 CO 0.02 0.08 0.14 0.00 -1.23 0.00 0.00 174.94 173.96 1ajy s GLU 61 N 1.37 0.36 0.31 0.00 2.02 -1.26 -4.77 118.70 116.74 1ajy s GLU 61 Ca -0.00 -0.23 0.09 0.00 0.02 0.00 0.00 54.97 54.85 1ajy s GLU 61 Cb -0.21 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1ajy s GLU 61 CO 0.02 -0.08 0.09 0.71 0.02 0.00 0.00 175.26 176.02 1ajy s TYR 62 N -0.92 2.73 -0.54 1.61 2.02 -1.26 -2.55 117.35 118.43 1ajy s TYR 62 Ca -0.10 -0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.02 1ajy s TYR 62 Cb -0.06 -1.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 1ajy s TYR 62 CO 0.01 0.45 1.87 -1.17 -1.57 0.00 0.00 175.55 175.14 1ajy s LEU 63 N -3.78 3.35 -0.46 -1.29 2.96 -1.26 -4.78 118.68 113.41 1ajy s LEU 63 Ca 0.35 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.92 1ajy s LEU 63 Cb -0.04 -2.76 0.29 0.00 0.50 0.00 0.00 46.19 44.18 1ajy s LEU 63 CO 0.22 -2.24 0.98 1.21 -1.32 0.00 0.00 176.35 175.19 1ajy n GLU 64 N 8.99 0.92 -0.72 1.98 0.00 -1.26 -5.14 120.64 125.40 1ajy n GLU 64 Ca 0.22 -2.07 -0.30 0.00 0.00 0.00 0.00 57.16 55.00 1ajy n GLU 64 Cb 0.51 -1.24 0.19 0.00 0.00 0.00 0.00 31.44 30.90 1ajy n GLU 64 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1ajy s PRO 65 N 0.07 0.45 0.07 5.31 0.05 -1.26 -4.94 135.00 134.75 1ajy s PRO 65 Ca 0.28 1.22 -0.35 0.00 0.05 0.00 0.00 61.00 62.20 1ajy s PRO 65 Cb 0.27 -1.68 -0.19 0.00 0.05 0.00 0.00 34.50 32.95 1ajy s PRO 65 CO -0.12 -2.91 1.59 0.77 0.05 0.00 0.00 177.00 176.38 1ajy h SER 66 N -2.06 -1.06 -5.57 6.66 0.02 -2.02 -3.46 113.55 106.06 1ajy h SER 66 Ca -0.50 0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.27 1ajy h SER 66 Cb 1.29 0.30 -0.14 0.00 0.14 0.00 0.00 62.40 63.99 1ajy h SER 66 CO 0.46 -0.68 -0.57 -0.54 -1.14 0.00 0.00 176.83 174.36 1ajy s LYS 67 N -5.99 1.25 0.14 3.45 1.02 -1.26 -5.17 119.74 113.17 1ajy s LYS 67 Ca -0.19 -1.61 0.05 0.00 0.02 0.00 0.00 55.97 54.25 1ajy s LYS 67 Cb 0.03 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1ajy s LYS 67 CO 0.61 -0.42 -0.12 0.15 -0.92 0.00 0.00 175.35 174.65 1ajy s LYS 68 N -4.12 1.05 0.33 1.68 1.02 -1.26 -5.13 119.74 113.31 1ajy s LYS 68 Ca 0.38 -1.37 -0.27 0.00 0.02 0.00 0.00 55.97 54.72 1ajy s LYS 68 Cb 0.06 -0.73 -0.09 0.00 -0.52 0.00 0.00 37.83 36.55 1ajy s LYS 68 CO 0.12 0.11 1.07 -1.50 -0.92 0.00 0.00 175.35 174.24 1ajy s ILE 69 N -2.88 3.60 -0.29 2.17 1.10 -1.26 -5.02 121.20 118.62 1ajy s ILE 69 Ca 0.14 1.43 0.01 0.00 -0.51 0.00 0.00 60.65 61.72 1ajy s ILE 69 Cb -0.00 -3.84 0.15 0.00 0.15 0.00 0.00 42.46 38.92 1ajy s ILE 69 CO 0.02 0.21 0.39 -0.69 -2.11 0.00 0.00 174.94 172.75 1ajy s VAL 70 N -1.38 -0.59 0.00 4.00 1.01 -1.26 -5.05 120.40 117.13 1ajy s VAL 70 Ca 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1ajy s VAL 70 Cb -0.27 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1ajy s VAL 70 CO 0.35 -0.31 0.00 0.52 0.00 0.00 0.00 175.10 175.66 1ajy n VAL 71 N 5.35 0.00 -3.67 2.92 0.31 -1.26 -5.15 118.33 116.83 1ajy n VAL 71 Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1ajy n VAL 71 Cb 0.49 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.33 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 1.70 -0.66 0.26 4.52 0.15 -1.26 -5.03 113.70 113.38 1ajy s SER 72 Ca 0.00 1.18 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 1ajy s SER 72 Cb 0.00 1.30 0.34 0.00 -1.71 0.00 0.00 66.02 65.95 1ajy s SER 72 CO 0.00 -0.22 1.81 0.00 1.20 0.00 0.00 173.24 176.03 1ajy h THR 73 N 5.62 1.23 -0.47 6.45 1.03 -2.01 -2.64 112.91 122.12 1ajy h THR 73 Ca -0.27 -0.84 0.08 0.00 -0.01 0.00 0.00 66.41 65.36 1ajy h THR 73 Cb 1.17 0.63 -0.06 0.00 -1.07 0.00 0.00 68.15 68.81 1ajy h THR 73 CO 0.19 0.32 0.10 0.11 -0.01 0.00 0.00 175.52 176.22 1ajy h LYS 74 N 0.87 0.23 -0.07 0.00 6.56 -2.00 -0.97 116.57 121.18 1ajy h LYS 74 Ca 0.19 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.79 1ajy h LYS 74 Cb 0.30 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.88 1ajy h LYS 74 CO -0.00 0.15 -0.10 -0.92 -2.06 0.00 0.00 179.45 176.52 1ajy h TYR 75 N 0.23 -0.24 -0.84 -1.35 3.20 -1.90 -1.61 116.97 114.45 1ajy h TYR 75 Ca 0.23 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.30 1ajy h TYR 75 Cb 0.30 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.58 1ajy h TYR 75 CO -0.22 -0.15 0.37 -0.07 -1.64 0.00 0.00 178.16 176.45 1ajy h LEU 76 N -0.14 0.34 -0.09 2.82 -0.00 -0.99 -0.36 115.31 116.90 1ajy h LEU 76 Ca 0.06 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ajy h LEU 76 Cb 0.22 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1ajy h LEU 76 CO -0.15 0.07 0.06 -0.61 -0.00 0.00 0.00 178.44 177.81 1ajy h GLN 77 N 0.46 0.12 -0.18 1.13 -0.00 -0.28 -0.28 115.11 116.07 1ajy h GLN 77 Ca 0.49 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 59.19 1ajy h GLN 77 Cb 0.84 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 1ajy h GLN 77 CO -0.46 0.08 0.25 0.37 0.00 0.00 0.00 178.83 179.07 1ajy h GLN 78 N 0.12 0.00 0.21 1.69 4.15 -0.48 -0.18 115.11 120.63 1ajy h GLN 78 Ca 0.03 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.17 1ajy h GLN 78 Cb -0.01 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.71 1ajy h GLN 78 CO -0.01 0.00 -1.25 1.25 -1.93 0.00 0.00 178.83 176.89 1ajy h LEU 79 N 0.00 0.70 0.09 -2.39 5.85 -0.39 -2.62 115.31 116.56 1ajy h LEU 79 Ca 0.09 -0.93 -0.00 0.00 0.84 0.00 0.00 57.88 57.87 1ajy h LEU 79 Cb 0.59 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ajy h LEU 79 CO -0.00 1.60 -0.04 1.56 -0.34 0.00 0.00 178.44 181.22 1ajy h GLN 80 N -0.05 -0.12 -0.87 1.25 4.20 0.12 -2.27 115.11 117.36 1ajy h GLN 80 Ca -0.22 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.51 1ajy h GLN 80 Cb 1.97 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.74 1ajy h GLN 80 CO 0.23 0.29 0.58 -0.22 -0.67 0.00 0.00 178.83 179.03 1ajy h LYS 81 N -0.55 1.15 -0.91 1.46 3.64 -1.26 -0.98 116.57 119.12 1ajy h LYS 81 Ca -0.01 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1ajy h LYS 81 Cb 0.46 -0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1ajy h LYS 81 CO 0.02 0.77 0.56 0.22 -2.27 0.00 0.00 179.45 178.74 1ajy h ASP 82 N 1.19 0.85 -0.82 4.20 3.58 -1.43 0.18 116.42 124.16 1ajy h ASP 82 Ca 0.32 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 1ajy h ASP 82 Cb -0.13 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.74 1ajy h ASP 82 CO -0.07 0.50 0.44 0.25 -2.88 0.00 0.00 179.24 177.49 1ajy h LEU 83 N 0.96 1.04 -1.12 2.28 6.46 -0.60 -1.51 115.31 122.82 1ajy h LEU 83 Ca 0.42 -0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.99 1ajy h LEU 83 Cb 0.30 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1ajy h LEU 83 CO -0.22 0.84 -0.29 -1.13 -0.62 0.00 0.00 178.44 177.03 1ajy h ASN 84 N 1.15 0.25 0.64 1.25 -0.73 -0.10 -1.47 115.58 116.58 1ajy h ASN 84 Ca 0.29 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 1ajy h ASN 84 Cb 0.04 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 1ajy h ASN 84 CO -0.05 0.54 -0.00 -0.78 -0.37 0.00 0.00 177.43 176.78 1ajy h ASP 85 N 0.23 0.00 1.08 1.15 3.58 0.28 0.37 116.42 123.11 1ajy h ASP 85 Ca 0.03 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.30 1ajy h ASP 85 Cb 0.63 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1ajy h ASP 85 CO 0.05 0.00 -0.95 0.11 -2.88 0.00 0.00 179.24 175.57 1ajy h LYS 86 N 0.00 0.00 0.22 0.28 1.79 -0.83 -2.04 116.57 115.99 1ajy h LYS 86 Ca -0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1ajy h LYS 86 Cb 0.32 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.01 1ajy h LYS 86 CO 0.00 0.72 -1.34 1.15 -1.08 0.00 0.00 179.45 178.90 1ajy h THR 87 N 0.00 1.31 -0.35 -0.16 2.02 -0.86 -1.50 112.91 113.36 1ajy h THR 87 Ca -0.05 -2.64 -0.05 0.00 0.77 0.00 0.00 66.41 64.44 1ajy h THR 87 Cb 1.65 3.06 -0.02 0.00 -1.74 0.00 0.00 68.15 71.10 1ajy h THR 87 CO 0.10 0.79 0.00 -0.33 0.37 0.00 0.00 175.52 176.44 1ajy h GLU 88 N 0.00 0.54 -0.00 6.66 4.39 -0.40 -0.67 114.58 125.11 1ajy h GLU 88 Ca -0.24 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1ajy h GLU 88 Cb 2.03 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1ajy h GLU 88 CO 0.23 0.57 -0.00 0.93 -1.16 0.00 0.00 179.01 179.58 1ajy h GLU 89 N 0.52 0.01 -0.46 2.33 5.08 -1.39 -1.94 114.58 118.73 1ajy h GLU 89 Ca 0.11 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1ajy h GLU 89 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ajy h GLU 89 CO 0.01 0.54 0.41 -0.91 -1.00 0.00 0.00 179.01 178.06 1ajy h ASN 90 N -0.52 0.00 0.28 1.42 2.35 -0.92 0.63 115.58 118.82 1ajy h ASN 90 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 1ajy h ASN 90 Cb 0.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.91 1ajy h ASN 90 CO 0.00 0.00 -0.98 0.78 -1.65 0.00 0.00 177.43 175.59 1ajy h ASN 91 N 0.00 0.61 0.00 5.81 2.35 -0.76 -2.74 115.58 120.84 1ajy h ASN 91 Ca 0.22 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1ajy h ASN 91 Cb 1.04 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 1ajy h ASN 91 CO -0.00 1.29 -0.14 -0.09 -1.65 0.00 0.00 177.43 176.84 1ajy h ARG 92 N 0.26 0.00 -1.13 0.81 2.43 0.44 -2.87 114.38 114.31 1ajy h ARG 92 Ca -0.09 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 59.41 1ajy h ARG 92 Cb 1.62 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.12 1ajy h ARG 92 CO 0.17 0.19 0.83 1.25 -1.51 0.00 0.00 179.97 180.91 1ajy h LEU 93 N -1.00 0.00 -0.06 3.80 6.46 -0.13 1.09 115.31 125.48 1ajy h LEU 93 Ca -0.01 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.50 1ajy h LEU 93 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1ajy h LEU 93 CO -0.01 0.00 -1.06 0.50 -0.62 0.00 0.00 178.44 177.25 1ajy h LYS 94 N 0.00 0.31 0.00 1.25 3.64 -1.57 -2.90 116.57 117.29 1ajy h LYS 94 Ca 0.54 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1ajy h LYS 94 Cb 2.20 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 34.15 1ajy h LYS 94 CO -0.01 1.13 -0.58 0.00 -2.27 0.00 0.00 179.45 177.72 1ajy h ALA 95 N 0.71 0.65 0.00 5.00 0.00 0.91 -2.94 119.26 123.59 1ajy h ALA 95 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ajy h ALA 95 Cb 1.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1ajy h ALA 95 CO 0.18 0.00 -0.75 1.25 0.00 0.00 0.00 179.25 179.93 1ajy h LEU 96 N 0.00 0.00 0.11 0.00 5.85 0.76 -2.92 115.31 119.11 1ajy h LEU 96 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1ajy h LEU 96 Cb 0.84 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1ajy h LEU 96 CO 0.00 0.43 -2.07 0.18 -0.34 0.00 0.00 178.44 176.64 1ajy n LEU 97 N -3.07 2.66 0.25 2.25 4.77 -1.10 -3.91 117.00 118.85 1ajy n LEU 97 Ca -0.01 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.27 1ajy n LEU 97 Cb 0.73 -1.07 0.55 0.00 -2.33 0.00 0.00 43.42 41.30 1ajy n LEU 97 CO 0.40 0.86 0.90 -0.07 -1.33 0.00 0.00 177.39 178.16 1ajy h LEU 98 N 0.06 0.00 -0.44 2.23 3.38 -1.65 -2.97 115.31 115.92 1ajy h LEU 98 Ca -0.45 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 1ajy h LEU 98 Cb 2.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 1ajy h LEU 98 CO 0.06 0.09 -0.63 -0.08 0.09 0.00 0.00 178.44 177.97 1ajy h GLU 99 N 0.00 0.53 0.00 1.13 4.57 -1.65 -3.51 114.58 115.64 1ajy h GLU 99 Ca -0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1ajy h GLU 99 Cb 0.65 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1ajy h GLU 99 CO 0.01 0.99 0.00 -2.13 -1.18 0.00 0.00 179.01 176.70