#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 0.34 -4.45 3.17 2.88 -1.26 -5.12 113.62 109.18 1ajy n SER 31 Ca 0.00 -1.33 -0.21 0.00 -1.33 0.00 0.00 58.87 56.00 1ajy n SER 31 Cb 0.00 -0.26 -0.11 0.00 -0.75 0.00 0.00 64.21 63.09 1ajy n SER 31 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ajy s VAL 32 N -1.25 1.22 -0.02 2.46 1.01 -1.26 -5.16 120.40 117.41 1ajy s VAL 32 Ca 0.24 -2.01 -0.29 0.00 0.00 0.00 0.00 61.98 59.92 1ajy s VAL 32 Cb -0.01 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.71 1ajy s VAL 32 CO 0.16 -0.03 0.94 0.00 0.00 0.00 0.00 175.10 176.18 1ajy s ALA 33 N -3.28 -1.85 1.16 5.51 0.00 -1.26 -4.25 121.76 117.79 1ajy s ALA 33 Ca 0.36 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 1ajy s ALA 33 Cb 0.08 0.37 0.14 0.00 0.00 0.00 0.00 23.12 23.71 1ajy s ALA 33 CO 0.15 -0.71 0.38 0.00 0.00 0.00 0.00 175.76 175.58 1ajy h LEU 35 N 0.00 -0.08 -0.23 0.00 3.38 -1.81 -0.46 115.31 116.11 1ajy h LEU 35 Ca -0.16 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1ajy h LEU 35 Cb 0.52 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ajy h LEU 35 CO 0.10 0.46 0.14 0.28 0.09 0.00 0.00 178.44 179.51 1ajy h SER 36 N -0.65 0.23 0.22 -0.43 0.02 -1.92 -0.51 113.55 110.50 1ajy h SER 36 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1ajy h SER 36 Cb 0.55 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ajy h SER 36 CO 0.02 0.17 -0.10 0.00 -1.14 0.00 0.00 176.83 175.78 1ajy h ARG 38 N 0.00 0.70 -0.74 0.00 2.47 0.40 0.89 114.38 118.10 1ajy h ARG 38 Ca -0.00 -0.62 0.01 0.00 -1.26 0.00 0.00 59.98 58.11 1ajy h ARG 38 Cb 0.23 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 1ajy h ARG 38 CO 0.01 1.23 0.49 -0.22 0.56 0.00 0.00 179.97 182.04 1ajy h LYS 39 N 0.38 0.98 -0.26 0.04 3.11 -0.59 -1.79 116.57 118.43 1ajy h LYS 39 Ca -0.07 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1ajy h LYS 39 Cb 1.42 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1ajy h LYS 39 CO 0.16 0.65 0.00 0.54 -2.81 0.00 0.00 179.45 177.99 1ajy n ARG 40 N -4.42 2.28 -3.44 1.90 1.74 -1.10 -4.99 116.66 108.64 1ajy n ARG 40 Ca 0.08 -2.08 -0.21 0.00 -0.77 0.00 0.00 57.85 54.88 1ajy n ARG 40 Cb 0.03 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.32 -2.28 -4.02 -1.55 8.25 0.16 -4.98 115.22 112.13 1ajy n HIS 41 Ca 0.16 0.72 -0.34 0.00 -0.26 0.00 0.00 57.72 58.00 1ajy n HIS 41 Cb 0.56 -3.75 -0.06 0.00 1.12 0.00 0.00 29.99 27.86 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 -3.34 5.06 -1.03 1.59 1.01 0.26 -4.99 121.20 119.76 1ajy s ILE 42 Ca 0.38 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 1ajy s ILE 42 Cb -0.10 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1ajy s ILE 42 CO 0.80 0.39 1.83 -0.75 0.00 0.00 0.00 174.94 177.21 1ajy s LYS 43 N -1.68 2.87 0.26 2.79 2.20 -1.26 -4.79 119.74 120.13 1ajy s LYS 43 Ca 0.23 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 1ajy s LYS 43 Cb -0.12 -5.20 -0.14 0.00 -1.51 0.00 0.00 37.83 30.86 1ajy s LYS 43 CO 0.14 -3.19 1.23 0.00 -0.36 0.00 0.00 175.35 173.17 1ajy h PRO 45 N 3.09 0.83 0.00 0.00 0.14 -1.93 -3.48 132.00 130.64 1ajy h PRO 45 Ca -0.43 -0.16 0.00 0.00 0.14 0.00 0.00 66.00 65.54 1ajy h PRO 45 Cb 1.31 -0.13 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1ajy h PRO 45 CO 0.68 0.74 0.00 0.41 0.14 0.00 0.00 178.00 179.97 1ajy n GLY 46 N -0.88 0.72 3.74 1.56 0.00 -1.26 -5.06 105.19 104.01 1ajy n GLY 46 Ca 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.27 -0.02 0.00 -1.26 -4.97 107.32 100.56 1ajy s GLY 47 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.96 1ajy s GLY 47 CO 0.00 0.91 0.28 -1.31 0.00 0.00 0.00 173.10 172.98 1ajy s ASN 48 N -3.11 1.62 0.56 1.64 0.02 -1.26 -1.36 114.94 113.06 1ajy s ASN 48 Ca 0.16 -0.64 -0.19 0.00 -1.02 0.00 0.00 52.86 51.16 1ajy s ASN 48 Cb 0.01 0.49 -0.05 0.00 0.02 0.00 0.00 41.25 41.72 1ajy s ASN 48 CO 0.00 -0.38 1.17 -2.16 0.02 0.00 0.00 177.10 175.76 1ajy s PRO 49 N 2.36 3.21 0.00 -0.60 0.05 -1.26 -5.16 135.00 133.60 1ajy s PRO 49 Ca 0.09 1.73 0.00 0.00 0.05 0.00 0.00 61.00 62.87 1ajy s PRO 49 Cb -0.14 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.41 1ajy s PRO 49 CO -0.29 -0.99 0.00 0.00 0.05 0.00 0.00 177.00 175.77 1ajy n GLN 51 N 0.00 0.00 0.11 0.00 -0.06 -1.26 -4.51 117.38 111.66 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 -0.60 0.74 0.00 -4.06 0.00 0.00 30.24 26.32 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 -1.96 0.40 116.57 120.54 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 0.23 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 1ajy h LYS 52 CO 0.00 0.00 -2.26 0.00 -1.08 0.00 0.00 179.45 176.11 1ajy h VAL 54 N 0.03 1.16 0.02 0.00 2.07 -1.58 -0.75 116.25 117.20 1ajy h VAL 54 Ca -0.51 -0.71 -0.24 0.00 0.82 0.00 0.00 66.70 66.06 1ajy h VAL 54 Cb 1.97 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1ajy h VAL 54 CO -0.01 0.22 -0.99 0.00 0.02 0.00 0.00 177.57 176.81 1ajy h THR 55 N 0.21 1.41 0.00 2.57 1.03 -0.38 -3.41 112.91 114.34 1ajy h THR 55 Ca 0.04 -2.52 0.00 0.00 -0.01 0.00 0.00 66.41 63.92 1ajy h THR 55 Cb 0.34 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1ajy h THR 55 CO 0.02 0.75 0.00 -1.20 -0.01 0.00 0.00 175.52 175.08 1ajy n SER 56 N -3.72 0.00 0.00 0.00 7.64 -0.84 -5.02 113.62 111.67 1ajy n SER 56 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ajy n SER 56 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 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 -0.41 0.00 -4.37 6.43 0.23 -0.35 -5.06 115.26 111.73 1ajy n ASN 57 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 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 2.19 0.38 -2.53 0.00 -0.86 -5.05 121.76 115.90 1ajy s ALA 58 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 1ajy s ALA 58 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1ajy s ALA 58 CO 0.00 0.21 1.03 0.42 0.00 0.00 0.00 175.76 177.42 1ajy s ILE 59 N -2.40 3.82 -0.38 0.00 -1.09 -1.26 -4.17 121.20 115.73 1ajy s ILE 59 Ca 0.21 1.44 -0.07 0.00 -2.23 0.00 0.00 60.65 60.00 1ajy s ILE 59 Cb -0.04 -3.77 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 1ajy s ILE 59 CO 0.09 0.05 0.17 0.00 -1.23 0.00 0.00 174.94 174.02 1ajy s GLU 61 N 1.37 0.53 0.00 0.00 2.02 -1.26 -4.75 118.70 116.60 1ajy s GLU 61 Ca 0.01 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1ajy s GLU 61 Cb -0.21 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 33.96 1ajy s GLU 61 CO 0.01 -0.02 0.00 0.66 0.02 0.00 0.00 175.26 175.93 1ajy n TYR 62 N 1.01 0.00 -3.16 1.61 4.01 -1.26 -3.67 117.16 115.70 1ajy n TYR 62 Ca -0.20 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.31 1ajy n TYR 62 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.55 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 2.07 -2.74 7.72 4.77 -1.26 -4.93 117.00 122.63 1ajy n LEU 63 Ca 0.00 -5.18 -0.07 0.00 -0.03 0.00 0.00 56.01 50.73 1ajy n LEU 63 Cb 0.00 0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1ajy n LEU 63 CO 0.00 2.23 0.26 1.21 -1.33 0.00 0.00 177.39 179.76 1ajy n GLU 64 N 0.45 0.62 -0.15 3.23 0.00 -1.26 -5.15 120.64 118.37 1ajy n GLU 64 Ca 0.26 -1.59 -0.14 0.00 0.00 0.00 0.00 57.16 55.69 1ajy n GLU 64 Cb 0.53 -1.23 0.13 0.00 0.00 0.00 0.00 31.44 30.88 1ajy n GLU 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1ajy n PRO 65 N 1.87 -3.18 -4.51 5.31 -0.02 -1.26 -5.03 135.00 128.18 1ajy n PRO 65 Ca 0.09 -0.70 -0.27 0.00 -2.02 0.00 0.00 63.50 60.60 1ajy n PRO 65 Cb 0.63 -0.87 -0.17 0.00 -0.02 0.00 0.00 33.50 33.08 1ajy n PRO 65 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ajy s SER 66 N -2.56 2.27 -0.59 2.55 1.04 -1.26 -5.08 113.70 110.06 1ajy s SER 66 Ca 0.31 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1ajy s SER 66 Cb -0.05 -1.01 0.15 0.00 0.10 0.00 0.00 66.02 65.21 1ajy s SER 66 CO 0.26 0.02 0.39 -0.54 0.98 0.00 0.00 173.24 174.35 1ajy s LYS 67 N 0.90 2.41 -0.30 4.02 1.02 -1.26 -4.99 119.74 121.54 1ajy s LYS 67 Ca -0.09 -2.54 -0.13 0.00 0.02 0.00 0.00 55.97 53.23 1ajy s LYS 67 Cb -0.15 -3.63 0.18 0.00 -0.52 0.00 0.00 37.83 33.71 1ajy s LYS 67 CO 0.00 -1.15 1.06 -1.59 -0.92 0.00 0.00 175.35 172.75 1ajy s LYS 68 N -0.09 0.18 0.47 1.68 0.00 -1.26 -5.15 119.74 115.56 1ajy s LYS 68 Ca 0.17 0.32 -0.21 0.00 0.00 0.00 0.00 55.97 56.24 1ajy s LYS 68 Cb -0.22 0.18 -0.08 0.00 0.00 0.00 0.00 37.83 37.71 1ajy s LYS 68 CO -0.03 -0.19 1.05 -1.50 0.00 0.00 0.00 175.35 174.68 1ajy s ILE 69 N 2.95 3.73 -0.29 3.79 1.10 -1.26 -5.04 121.20 126.19 1ajy s ILE 69 Ca -0.02 1.14 0.01 0.00 -0.51 0.00 0.00 60.65 61.27 1ajy s ILE 69 Cb -0.10 -3.49 0.15 0.00 0.15 0.00 0.00 42.46 39.17 1ajy s ILE 69 CO -0.11 -0.18 0.38 -0.69 -2.11 0.00 0.00 174.94 172.24 1ajy s VAL 70 N -1.89 -0.58 0.00 4.00 1.01 -1.26 -5.06 120.40 116.63 1ajy s VAL 70 Ca 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ajy s VAL 70 Cb -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1ajy s VAL 70 CO 0.22 -0.32 0.00 0.52 0.00 0.00 0.00 175.10 175.52 1ajy n VAL 71 N 5.34 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 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1ajy n VAL 71 Cb 0.49 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.32 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 -0.33 0.23 4.52 0.15 -1.26 -5.03 113.70 113.65 1ajy s SER 72 Ca 0.00 0.94 -0.07 0.00 0.70 0.00 0.00 55.95 57.52 1ajy s SER 72 Cb 0.00 1.11 0.21 0.00 -1.71 0.00 0.00 66.02 65.63 1ajy s SER 72 CO 0.00 -0.22 1.88 0.00 1.20 0.00 0.00 173.24 176.10 1ajy h THR 73 N 5.93 1.25 -0.55 6.45 1.03 -2.01 -2.18 112.91 122.84 1ajy h THR 73 Ca -0.24 -0.54 0.08 0.00 -0.01 0.00 0.00 66.41 65.70 1ajy h THR 73 Cb 1.14 -0.01 -0.06 0.00 -1.07 0.00 0.00 68.15 68.14 1ajy h THR 73 CO 0.19 0.26 0.19 0.50 -0.01 0.00 0.00 175.52 176.65 1ajy h LYS 74 N 1.23 0.36 -0.20 0.00 3.64 -2.00 -0.99 116.57 118.61 1ajy h LYS 74 Ca 0.32 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1ajy h LYS 74 Cb -0.05 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1ajy h LYS 74 CO -0.06 0.24 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.41 1ajy h TYR 75 N 0.37 -0.06 -0.79 1.91 3.20 -1.83 -1.46 116.97 118.31 1ajy h TYR 75 Ca 0.27 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.31 1ajy h TYR 75 Cb 0.31 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.54 1ajy h TYR 75 CO -0.17 -0.06 0.34 -0.07 -1.64 0.00 0.00 178.16 176.56 1ajy h LEU 76 N 0.03 0.34 -0.50 2.82 -0.00 -0.76 -0.08 115.31 117.16 1ajy h LEU 76 Ca 0.09 0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1ajy h LEU 76 Cb 0.13 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1ajy h LEU 76 CO -0.18 0.12 0.20 1.56 -0.00 0.00 0.00 178.44 180.14 1ajy h GLN 77 N 0.48 0.75 0.00 1.13 1.08 -0.38 -1.11 115.11 117.06 1ajy h GLN 77 Ca 0.44 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1ajy h GLN 77 Cb 0.67 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1ajy h GLN 77 CO -0.41 0.67 -0.00 0.37 -0.95 0.00 0.00 178.83 178.51 1ajy h GLN 78 N 0.67 0.00 0.19 1.46 4.15 -0.08 -0.11 115.11 121.40 1ajy h GLN 78 Ca 0.17 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.27 1ajy h GLN 78 Cb 0.20 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.92 1ajy h GLN 78 CO -0.01 0.00 -1.38 1.25 -1.93 0.00 0.00 178.83 176.76 1ajy h LEU 79 N 0.00 0.85 0.15 -2.39 5.85 -0.14 -2.72 115.31 116.91 1ajy h LEU 79 Ca -0.00 -0.85 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 1ajy h LEU 79 Cb 0.01 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1ajy h LEU 79 CO 0.00 1.66 -0.07 1.56 -0.34 0.00 0.00 178.44 181.24 1ajy h GLN 80 N 0.20 -0.20 -0.96 1.25 4.20 -0.24 -2.56 115.11 116.80 1ajy h GLN 80 Ca -0.22 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.58 1ajy h GLN 80 Cb 2.06 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 29.81 1ajy h GLN 80 CO 0.26 0.22 0.61 -0.22 -0.67 0.00 0.00 178.83 179.02 1ajy h LYS 81 N -0.70 1.02 -0.90 1.46 3.64 -1.20 0.56 116.57 120.46 1ajy h LYS 81 Ca -0.02 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1ajy h LYS 81 Cb 0.51 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 1ajy h LYS 81 CO 0.03 0.67 0.56 0.22 -2.27 0.00 0.00 179.45 178.67 1ajy h ASP 82 N 1.05 0.86 -0.65 4.20 1.82 -1.44 0.18 116.42 122.45 1ajy h ASP 82 Ca 0.44 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 57.06 1ajy h ASP 82 Cb 0.28 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 1ajy h ASP 82 CO -0.21 0.53 0.27 0.25 -1.61 0.00 0.00 179.24 178.47 1ajy h LEU 83 N 0.99 0.91 -0.90 2.28 6.46 -0.50 -1.78 115.31 122.78 1ajy h LEU 83 Ca 0.40 -0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.93 1ajy h LEU 83 Cb 0.23 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1ajy h LEU 83 CO -0.19 0.82 -0.35 -1.13 -0.62 0.00 0.00 178.44 176.96 1ajy h ASN 84 N 0.98 0.40 0.56 1.25 -1.24 0.05 -1.85 115.58 115.73 1ajy h ASN 84 Ca 0.23 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1ajy h ASN 84 Cb 0.19 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 1ajy h ASN 84 CO -0.02 0.72 -0.01 -0.78 -1.29 0.00 0.00 177.43 176.06 1ajy h ASP 85 N 0.33 0.00 0.99 1.15 1.82 0.12 0.38 116.42 121.21 1ajy h ASP 85 Ca 0.04 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.47 1ajy h ASP 85 Cb 0.77 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.75 1ajy h ASP 85 CO 0.06 0.01 -1.04 0.11 -1.61 0.00 0.00 179.24 176.77 1ajy h LYS 86 N 0.00 0.00 0.10 0.28 1.79 -0.92 -1.74 116.57 116.08 1ajy h LYS 86 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1ajy h LYS 86 Cb 0.29 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1ajy h LYS 86 CO 0.00 0.89 -0.93 1.15 -1.08 0.00 0.00 179.45 179.48 1ajy h THR 87 N 0.00 1.40 -0.43 -0.16 2.02 -0.79 -0.68 112.91 114.26 1ajy h THR 87 Ca -0.04 -2.39 -0.02 0.00 0.77 0.00 0.00 66.41 64.73 1ajy h THR 87 Cb 1.76 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 71.00 1ajy h THR 87 CO 0.12 0.70 0.17 -0.08 0.37 0.00 0.00 175.52 176.79 1ajy h GLU 88 N -0.05 0.62 0.01 6.66 4.57 -0.38 0.06 114.58 126.06 1ajy h GLU 88 Ca -0.14 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1ajy h GLU 88 Cb 1.67 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 1ajy h GLU 88 CO 0.18 0.52 -0.01 0.93 -1.18 0.00 0.00 179.01 179.45 1ajy h GLU 89 N 0.61 -0.01 -0.48 1.92 5.08 -1.27 -2.06 114.58 118.37 1ajy h GLU 89 Ca 0.15 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1ajy h GLU 89 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1ajy h GLU 89 CO -0.01 0.47 0.40 -0.91 -1.00 0.00 0.00 179.01 177.96 1ajy h ASN 90 N -0.51 0.00 0.22 1.42 2.35 -0.60 0.49 115.58 118.95 1ajy h ASN 90 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1ajy h ASN 90 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1ajy h ASN 90 CO 0.00 0.00 -0.78 0.78 -1.65 0.00 0.00 177.43 175.78 1ajy h ASN 91 N 0.00 0.55 0.01 5.81 2.35 -0.60 -2.76 115.58 120.94 1ajy h ASN 91 Ca 0.23 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ajy h ASN 91 Cb 1.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1ajy h ASN 91 CO -0.00 1.14 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.83 1ajy h ARG 92 N 0.30 -0.01 -0.71 0.81 2.43 0.45 -2.91 114.38 114.74 1ajy h ARG 92 Ca -0.04 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.33 1ajy h ARG 92 Cb 1.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1ajy h ARG 92 CO 0.14 0.72 0.64 -0.07 -1.51 0.00 0.00 179.97 179.89 1ajy h LEU 93 N -0.99 0.00 0.01 3.80 3.38 -0.50 1.42 115.31 122.44 1ajy h LEU 93 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1ajy h LEU 93 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ajy h LEU 93 CO 0.00 0.00 -1.14 0.50 0.09 0.00 0.00 178.44 177.89 1ajy h LYS 94 N 0.00 0.43 -0.00 1.13 3.64 -1.51 -2.90 116.57 117.35 1ajy h LYS 94 Ca 0.34 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ajy h LYS 94 Cb 1.61 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1ajy h LYS 94 CO -0.00 1.23 -0.58 0.00 -2.27 0.00 0.00 179.45 177.82 1ajy n ALA 95 N -2.58 3.74 0.02 5.00 0.00 0.20 -2.66 120.51 124.24 1ajy n ALA 95 Ca -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 52.91 1ajy n ALA 95 Cb 0.94 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 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 0.05 0.00 0.03 0.00 5.85 0.16 -3.10 115.31 118.30 1ajy h LEU 96 Ca 0.00 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.34 1ajy h LEU 96 Cb 0.50 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1ajy h LEU 96 CO 0.00 0.78 -2.30 0.18 -0.34 0.00 0.00 178.44 176.77 1ajy n LEU 97 N -3.03 2.40 0.24 2.25 4.77 -1.10 -3.07 117.00 119.46 1ajy n LEU 97 Ca -0.10 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.01 1ajy n LEU 97 Cb 0.92 -0.73 0.51 0.00 -2.33 0.00 0.00 43.42 41.79 1ajy n LEU 97 CO 0.44 0.83 0.87 -0.07 -1.33 0.00 0.00 177.39 178.13 1ajy h LEU 98 N 0.02 0.00 0.00 2.23 3.38 -1.69 -3.01 115.31 116.24 1ajy h LEU 98 Ca -0.52 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.22 1ajy h LEU 98 Cb 1.99 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 1ajy h LEU 98 CO -0.02 0.12 -1.67 1.21 0.09 0.00 0.00 178.44 178.17 1ajy n GLU 99 N -3.23 0.64 0.00 1.13 2.13 -1.17 -5.06 120.64 115.06 1ajy n GLU 99 Ca 0.01 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1ajy n GLU 99 Cb 0.40 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1ajy n GLU 99 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26