#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5r h SER 0 N 0.00 0.00 -0.88 1.61 4.64 -2.07 -1.92 113.55 114.92 1a5r h SER 0 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1a5r h SER 0 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1a5r h SER 0 CO 0.00 0.00 0.58 0.24 -0.87 0.00 0.00 176.83 176.79 1a5r h MET 1 N 0.00 1.17 -4.70 4.77 2.86 -2.07 -3.38 114.93 113.57 1a5r h MET 1 Ca -0.00 -0.07 -0.69 0.00 -2.06 0.00 0.00 59.70 56.88 1a5r h MET 1 Cb 0.01 -0.26 -0.26 0.00 0.06 0.00 0.00 31.60 31.15 1a5r h MET 1 CO 0.00 0.78 -0.58 -1.12 1.06 0.00 0.00 176.91 177.05 1a5r s SER 2 N -6.01 5.41 -0.01 1.22 0.01 -0.72 -4.90 113.70 108.68 1a5r s SER 2 Ca -0.13 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.26 1a5r s SER 2 Cb 0.17 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1a5r s SER 2 CO 0.80 -0.29 0.99 -0.90 0.41 0.00 0.00 173.24 174.25 1a5r n ASP 3 N 4.90 1.91 -4.23 2.44 5.75 -1.26 -4.94 116.55 121.13 1a5r n ASP 3 Ca -0.13 -2.06 -0.13 0.00 -0.01 0.00 0.00 54.79 52.46 1a5r n ASP 3 Cb 0.47 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 40.41 1a5r n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a5r s GLN 4 N -1.14 1.03 0.51 0.11 -2.07 -1.26 -5.02 119.66 111.81 1a5r s GLN 4 Ca 0.04 -1.46 0.15 0.00 -1.82 0.00 0.00 55.36 52.27 1a5r s GLN 4 Cb 0.03 -0.34 1.23 0.00 -1.09 0.00 0.00 33.01 32.84 1a5r s GLN 4 CO 0.00 -0.05 2.13 0.93 -1.32 0.00 0.00 175.29 176.99 1a5r h GLU 5 N 2.78 0.03 -5.09 9.60 4.39 -2.04 -3.37 114.58 120.88 1a5r h GLU 5 Ca -0.36 -0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.66 1a5r h GLU 5 Cb 1.19 -0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.66 1a5r h GLU 5 CO 0.64 0.03 0.13 0.00 -1.16 0.00 0.00 179.01 178.64 1a5r s ALA 6 N -5.06 3.35 0.52 3.43 0.00 -1.26 -5.04 121.76 117.69 1a5r s ALA 6 Ca -0.05 -1.68 -0.19 0.00 0.00 0.00 0.00 51.96 50.04 1a5r s ALA 6 Cb 0.17 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1a5r s ALA 6 CO 0.68 -2.07 1.05 0.15 0.00 0.00 0.00 175.76 175.56 1a5r s LYS 7 N 2.83 3.65 0.63 0.00 1.02 -1.26 -4.91 119.74 121.69 1a5r s LYS 7 Ca 0.17 1.32 0.37 0.00 0.02 0.00 0.00 55.97 57.85 1a5r s LYS 7 Cb -0.18 -2.07 2.10 0.00 -0.52 0.00 0.00 37.83 37.16 1a5r s LYS 7 CO 0.13 -0.56 2.30 -1.35 -0.92 0.00 0.00 175.35 174.96 1a5r h PRO 8 N 1.22 0.00 -0.05 -1.68 0.11 -1.94 -1.06 132.00 128.59 1a5r h PRO 8 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1a5r h PRO 8 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1a5r h PRO 8 CO 0.58 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.87 1a5r h SER 9 N 0.00 0.08 -0.07 -2.05 4.64 -1.96 -2.11 113.55 112.08 1a5r h SER 9 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1a5r h SER 9 Cb 0.02 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1a5r h SER 9 CO -0.00 0.25 -0.08 0.74 -0.87 0.00 0.00 176.83 176.87 1a5r h THR 10 N 0.08 1.18 -0.85 2.95 2.02 -1.56 -2.83 112.91 113.90 1a5r h THR 10 Ca 0.02 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1a5r h THR 10 Cb 0.34 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1a5r h THR 10 CO 0.02 0.25 0.50 -0.08 0.37 0.00 0.00 175.52 176.58 1a5r h GLU 11 N 0.33 1.17 -6.63 6.66 4.81 -1.50 -3.34 114.58 116.08 1a5r h GLU 11 Ca 0.07 -0.12 -0.53 0.00 -0.13 0.00 0.00 59.36 58.65 1a5r h GLU 11 Cb 0.35 -0.24 0.04 0.00 0.63 0.00 0.00 28.75 29.54 1a5r h GLU 11 CO 0.02 0.84 0.85 0.34 -0.73 0.00 0.00 179.01 180.32 1a5r s ASP 12 N -6.12 6.61 -1.63 1.04 -1.08 -1.07 -0.36 116.67 114.06 1a5r s ASP 12 Ca -0.13 2.61 -0.03 0.00 -0.52 0.00 0.00 52.55 54.48 1a5r s ASP 12 Cb 0.16 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1a5r s ASP 12 CO 0.81 -0.79 0.43 0.18 0.52 0.00 0.00 175.17 176.32 1a5r n LEU 13 N 3.63 -2.47 0.00 -1.34 4.77 -1.26 -4.70 117.00 115.63 1a5r n LEU 13 Ca 0.12 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1a5r n LEU 13 Cb 0.39 -2.97 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1a5r n LEU 13 CO 0.61 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1a5r n GLY 14 N -1.38 -0.13 0.36 -0.72 0.00 -0.78 -4.92 105.19 97.62 1a5r n GLY 14 Ca -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1a5r n GLY 14 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1a5r h ASP 15 N 0.00 1.09 -3.51 1.61 1.82 -0.88 -3.42 116.42 113.12 1a5r h ASP 15 Ca 0.00 -0.09 -0.51 0.00 -0.39 0.00 0.00 57.03 56.04 1a5r h ASP 15 Cb 0.00 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1a5r h ASP 15 CO 0.00 0.86 -0.02 -0.54 -1.61 0.00 0.00 179.24 177.94 1a5r s LYS 16 N -5.83 3.80 -0.25 0.28 1.02 -1.26 -5.05 119.74 112.44 1a5r s LYS 16 Ca -0.12 0.35 -0.16 0.00 0.02 0.00 0.00 55.97 56.06 1a5r s LYS 16 Cb 0.17 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1a5r s LYS 16 CO 0.82 0.17 0.41 0.21 -0.92 0.00 0.00 175.35 176.04 1a5r s LYS 17 N -3.27 4.06 0.27 1.68 2.20 -1.26 -4.94 119.74 118.48 1a5r s LYS 17 Ca 0.49 0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 1a5r s LYS 17 Cb -0.11 -3.63 0.35 0.00 -1.51 0.00 0.00 37.83 32.94 1a5r s LYS 17 CO 0.25 -0.24 1.95 1.49 -0.36 0.00 0.00 175.35 178.43 1a5r h GLU 18 N 7.96 1.20 -3.88 4.03 4.81 -1.97 -3.45 114.58 123.28 1a5r h GLU 18 Ca -0.32 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 1a5r h GLU 18 Cb 1.16 -0.27 -0.14 0.00 0.63 0.00 0.00 28.75 30.13 1a5r h GLU 18 CO 0.68 0.80 -0.39 0.20 -0.73 0.00 0.00 179.01 179.56 1a5r s GLY 19 N -3.22 0.25 0.00 1.92 0.00 -1.26 -5.02 107.32 99.99 1a5r s GLY 19 Ca -0.12 -0.76 0.17 0.00 0.00 0.00 0.00 44.72 44.01 1a5r s GLY 19 CO 0.81 -0.87 1.46 -1.84 0.00 0.00 0.00 173.10 172.65 1a5r n GLU 20 N -0.09 1.68 -3.83 2.90 0.28 -1.26 -4.85 120.64 115.47 1a5r n GLU 20 Ca -0.13 -1.04 -0.37 0.00 -0.16 0.00 0.00 57.16 55.47 1a5r n GLU 20 Cb 0.63 -1.34 -0.06 0.00 1.43 0.00 0.00 31.44 32.10 1a5r n GLU 20 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1a5r s TYR 21 N -1.73 3.61 0.25 -1.84 2.02 -1.26 -2.44 117.35 115.96 1a5r s TYR 21 Ca 0.28 0.58 0.04 0.00 -0.37 0.00 0.00 57.07 57.60 1a5r s TYR 21 Cb 0.15 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1a5r s TYR 21 CO 0.22 0.72 0.01 0.96 -1.57 0.00 0.00 175.55 175.89 1a5r s ILE 22 N -1.07 1.11 -0.33 2.71 -4.36 0.17 -4.65 121.20 114.79 1a5r s ILE 22 Ca 0.17 -2.04 -0.12 0.00 -0.26 0.00 0.00 60.65 58.41 1a5r s ILE 22 Cb -0.13 -2.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 1a5r s ILE 22 CO 0.07 -0.25 0.22 -0.75 0.24 0.00 0.00 174.94 174.47 1a5r s LYS 23 N -3.86 3.46 0.03 0.37 2.20 0.13 -0.28 119.74 121.79 1a5r s LYS 23 Ca 0.30 -0.66 0.09 0.00 -0.36 0.00 0.00 55.97 55.34 1a5r s LYS 23 Cb 0.06 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 1a5r s LYS 23 CO 0.11 -0.44 -0.26 -1.17 -0.36 0.00 0.00 175.35 173.23 1a5r s LEU 24 N 1.70 2.13 -0.02 5.43 0.20 0.18 -0.83 118.68 127.47 1a5r s LEU 24 Ca 0.06 -0.55 0.02 0.00 0.69 0.00 0.00 54.13 54.35 1a5r s LEU 24 Cb -0.17 -1.27 0.01 0.00 -0.43 0.00 0.00 46.19 44.32 1a5r s LEU 24 CO 0.09 0.27 -0.05 -1.59 -0.29 0.00 0.00 176.35 174.78 1a5r s LYS 25 N -1.04 0.59 -0.02 1.98 -2.85 -0.33 -1.67 119.74 116.40 1a5r s LYS 25 Ca 0.11 -0.16 0.07 0.00 -1.00 0.00 0.00 55.97 54.99 1a5r s LYS 25 Cb -0.10 -0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 35.06 1a5r s LYS 25 CO 0.01 0.04 -0.22 0.14 0.10 0.00 0.00 175.35 175.43 1a5r s VAL 26 N 0.29 1.70 0.03 1.79 -7.23 -0.98 -1.80 120.40 114.20 1a5r s VAL 26 Ca -0.03 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1a5r s VAL 26 Cb -0.07 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1a5r s VAL 26 CO -0.00 0.48 -0.18 0.27 -0.31 0.00 0.00 175.10 175.35 1a5r s ILE 27 N -0.51 1.47 0.14 -0.62 -4.36 -0.85 -2.97 121.20 113.50 1a5r s ILE 27 Ca 0.08 -1.03 0.10 0.00 -0.26 0.00 0.00 60.65 59.55 1a5r s ILE 27 Cb -0.08 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 1a5r s ILE 27 CO -0.01 0.22 -0.21 -0.83 0.24 0.00 0.00 174.94 174.35 1a5r s GLY 28 N -0.95 1.67 0.64 6.27 0.00 -0.99 -1.06 107.32 112.90 1a5r s GLY 28 Ca 0.06 -1.45 0.25 0.00 0.00 0.00 0.00 44.72 43.58 1a5r s GLY 28 CO 0.01 -1.44 1.74 -1.61 0.00 0.00 0.00 173.10 171.80 1a5r h GLN 29 N 3.60 0.00 -0.08 2.90 4.15 -1.90 0.30 115.11 124.08 1a5r h GLN 29 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1a5r h GLN 29 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1a5r h GLN 29 CO 0.45 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 176.95 1a5r n ASP 30 N -3.08 0.08 -2.02 -0.69 5.75 -1.26 -4.81 116.55 110.53 1a5r n ASP 30 Ca 0.03 -1.47 -0.11 0.00 -0.01 0.00 0.00 54.79 53.22 1a5r n ASP 30 Cb 0.61 -0.04 0.04 0.00 -1.03 0.00 0.00 41.12 40.70 1a5r n ASP 30 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1a5r n SER 31 N -0.43 -4.02 -4.29 -1.12 2.88 0.10 -5.01 113.62 101.73 1a5r n SER 31 Ca 0.00 -0.26 -0.38 0.00 -1.33 0.00 0.00 58.87 56.89 1a5r n SER 31 Cb 0.02 -2.71 -0.12 0.00 -0.75 0.00 0.00 64.21 60.65 1a5r n SER 31 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1a5r s SER 32 N -3.18 5.35 -0.28 -3.46 0.01 -1.13 -4.95 113.70 106.07 1a5r s SER 32 Ca 0.27 -1.08 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1a5r s SER 32 Cb -0.12 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.24 1a5r s SER 32 CO 0.35 -0.32 0.03 -0.70 0.41 0.00 0.00 173.24 173.01 1a5r s GLU 33 N 1.43 2.97 -0.11 12.44 2.12 -1.26 -2.36 118.70 133.94 1a5r s GLU 33 Ca -0.01 -0.92 0.01 0.00 0.36 0.00 0.00 54.97 54.42 1a5r s GLU 33 Cb -0.19 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1a5r s GLU 33 CO 0.03 -0.43 -0.12 0.96 -0.54 0.00 0.00 175.26 175.16 1a5r s ILE 34 N 1.43 1.30 -0.15 -3.70 -5.25 -1.16 -5.05 121.20 108.61 1a5r s ILE 34 Ca 0.01 -0.50 0.00 0.00 -0.99 0.00 0.00 60.65 59.18 1a5r s ILE 34 Cb -0.17 -1.23 -0.00 0.00 2.95 0.00 0.00 42.46 44.01 1a5r s ILE 34 CO -0.00 0.41 -0.15 -1.00 -1.79 0.00 0.00 174.94 172.41 1a5r s HIS 35 N 1.25 2.78 0.23 1.37 3.76 -1.26 -2.31 115.29 121.11 1a5r s HIS 35 Ca -0.02 -0.99 -0.22 0.00 -0.15 0.00 0.00 55.06 53.68 1a5r s HIS 35 Cb -0.14 -1.88 0.04 0.00 1.11 0.00 0.00 32.58 31.71 1a5r s HIS 35 CO -0.04 -0.44 0.68 -0.59 -0.85 0.00 0.00 174.74 173.50 1a5r s PHE 36 N 0.76 -0.32 0.07 1.40 -0.71 -0.67 -5.00 117.98 113.51 1a5r s PHE 36 Ca -0.06 -0.04 0.05 0.00 -1.04 0.00 0.00 56.93 55.83 1a5r s PHE 36 Cb -0.15 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1a5r s PHE 36 CO 0.01 -1.08 -0.03 0.15 -1.34 0.00 0.00 175.22 172.93 1a5r s LYS 37 N -3.84 2.50 0.34 1.99 1.02 -1.25 0.47 119.74 120.97 1a5r s LYS 37 Ca 0.07 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.28 1a5r s LYS 37 Cb -0.04 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1a5r s LYS 37 CO -0.01 0.55 0.35 0.08 -0.92 0.00 0.00 175.35 175.41 1a5r s VAL 38 N -1.21 0.00 -0.23 3.17 1.01 0.62 -4.84 120.40 118.92 1a5r s VAL 38 Ca 0.23 -1.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.23 1a5r s VAL 38 Cb -0.11 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1a5r s VAL 38 CO 0.15 0.00 0.21 -1.59 0.00 0.00 0.00 175.10 173.87 1a5r s LYS 39 N -3.27 4.10 -0.55 2.72 -2.85 -1.26 0.46 119.74 119.10 1a5r s LYS 39 Ca 0.37 -0.16 0.04 0.00 -1.00 0.00 0.00 55.97 55.22 1a5r s LYS 39 Cb 0.01 -3.53 0.15 0.00 -2.06 0.00 0.00 37.83 32.40 1a5r s LYS 39 CO 0.26 0.06 0.34 1.41 0.10 0.00 0.00 175.35 177.52 1a5r s MET 40 N 1.06 1.86 -0.01 1.78 1.75 -1.02 -4.58 119.30 120.13 1a5r s MET 40 Ca 0.10 -2.66 0.17 0.00 -1.25 0.00 0.00 55.69 52.05 1a5r s MET 40 Cb -0.14 -2.91 -0.23 0.00 2.84 0.00 0.00 34.83 34.40 1a5r s MET 40 CO 0.05 -1.21 0.51 0.25 -0.65 0.00 0.00 175.02 173.97 1a5r n THR 41 N 2.81 0.00 0.00 10.11 -2.24 -1.26 -4.99 114.28 118.70 1a5r n THR 41 Ca 0.13 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1a5r n THR 41 Cb 0.35 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1a5r n THR 41 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1a5r n THR 42 N -1.78 0.00 -1.45 4.28 5.66 -1.26 -5.00 114.28 114.73 1a5r n THR 42 Ca -0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1a5r n THR 42 Cb 0.36 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.21 1a5r n THR 42 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1a5r s HIS 43 N 3.53 2.87 -2.00 1.09 3.76 -1.26 -4.48 115.29 118.81 1a5r s HIS 43 Ca 0.00 1.43 0.11 0.00 -0.15 0.00 0.00 55.06 56.45 1a5r s HIS 43 Cb 0.00 -2.97 0.64 0.00 1.11 0.00 0.00 32.58 31.36 1a5r s HIS 43 CO 0.00 -1.53 1.08 1.47 -0.85 0.00 0.00 174.74 174.91 1a5r n LEU 44 N -3.33 0.00 0.03 0.89 -0.00 -1.26 -3.50 117.00 109.83 1a5r n LEU 44 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.13 1a5r n LEU 44 Cb 0.54 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.40 1a5r n LEU 44 CO 0.55 0.00 1.14 0.07 -0.00 0.00 0.00 177.39 179.15 1a5r h LYS 45 N 0.00 0.48 -0.88 1.47 2.10 -1.90 -2.17 116.57 115.67 1a5r h LYS 45 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1a5r h LYS 45 Cb 0.00 -0.11 -0.04 0.00 -0.90 0.00 0.00 32.23 31.18 1a5r h LYS 45 CO 0.00 0.33 0.51 0.87 -2.00 0.00 0.00 179.45 179.16 1a5r h LYS 46 N 0.49 1.20 0.33 0.07 1.57 -1.90 1.28 116.57 119.62 1a5r h LYS 46 Ca 0.13 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1a5r h LYS 46 Cb -0.03 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.03 1a5r h LYS 46 CO -0.03 0.85 -0.16 1.25 -0.57 0.00 0.00 179.45 180.80 1a5r h LEU 47 N 1.21 -0.37 -0.43 2.94 7.12 -1.66 -3.12 115.31 121.00 1a5r h LEU 47 Ca 0.31 -0.17 -0.18 0.00 0.13 0.00 0.00 57.88 57.98 1a5r h LEU 47 Cb -0.02 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 1a5r h LEU 47 CO -0.06 0.07 -0.70 0.07 -0.13 0.00 0.00 178.44 177.70 1a5r h LYS 48 N -0.94 0.42 -0.24 1.25 2.10 -1.40 -2.75 116.57 114.99 1a5r h LYS 48 Ca -0.05 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1a5r h LYS 48 Cb 0.52 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1a5r h LYS 48 CO 0.07 0.96 0.16 1.05 -2.00 0.00 0.00 179.45 179.69 1a5r h GLU 49 N 0.29 0.31 -0.91 0.07 4.11 0.15 3.26 114.58 121.87 1a5r h GLU 49 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1a5r h GLU 49 Cb 1.27 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1a5r h GLU 49 CO 0.12 0.21 0.54 0.77 0.07 0.00 0.00 179.01 180.72 1a5r h SER 50 N 0.32 1.10 1.32 3.06 0.02 -1.61 0.90 113.55 118.66 1a5r h SER 50 Ca 0.09 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1a5r h SER 50 Cb -0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 1a5r h SER 50 CO -0.03 0.85 -0.01 0.22 -1.14 0.00 0.00 176.83 176.72 1a5r h TYR 51 N 1.25 0.00 0.00 3.45 3.20 -0.82 -3.15 116.97 120.90 1a5r h TYR 51 Ca 0.32 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1a5r h TYR 51 Cb -0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1a5r h TYR 51 CO 0.01 0.01 0.00 0.00 -1.64 0.00 0.00 178.16 176.54 1a5r h GLN 53 N 0.00 0.68 -0.80 0.00 4.20 -1.61 3.02 115.11 120.59 1a5r h GLN 53 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1a5r h GLN 53 Cb 0.00 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1a5r h GLN 53 CO 0.00 0.45 0.46 0.07 -0.67 0.00 0.00 178.83 179.14 1a5r h ARG 54 N 0.70 1.09 0.00 1.46 0.11 -1.75 -0.78 114.38 115.21 1a5r h ARG 54 Ca 0.24 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1a5r h ARG 54 Cb 0.03 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 30.89 1a5r h ARG 54 CO -0.11 0.77 -0.50 1.96 0.10 0.00 0.00 179.97 182.20 1a5r h GLN 55 N 1.10 0.00 0.00 0.08 1.08 -1.23 -3.49 115.11 112.65 1a5r h GLN 55 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1a5r h GLN 55 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1a5r h GLN 55 CO -0.05 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.24 1a5r n GLY 56 N 1.24 2.23 2.43 3.46 0.00 1.00 -4.92 105.19 110.64 1a5r n GLY 56 Ca 0.03 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 1a5r n GLY 56 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a5r n VAL 57 N 0.79 0.00 0.25 1.61 0.24 -0.70 -4.48 118.33 116.04 1a5r n VAL 57 Ca 0.00 -0.13 0.15 0.00 -2.04 0.00 0.00 64.34 62.32 1a5r n VAL 57 Cb 0.00 -0.21 0.78 0.00 -1.47 0.00 0.00 33.84 32.94 1a5r n VAL 57 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1a5r h PRO 58 N 8.08 0.00 -1.01 7.34 0.11 -1.89 -2.81 132.00 141.82 1a5r h PRO 58 Ca -0.01 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.16 1a5r h PRO 58 Cb 0.86 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 1a5r h PRO 58 CO 1.03 0.00 0.65 1.98 -0.21 0.00 0.00 178.00 181.45 1a5r h MET 59 N 0.00 1.16 0.01 1.05 4.05 -1.83 2.54 114.93 121.91 1a5r h MET 59 Ca 0.00 -0.07 -0.20 0.00 -0.28 0.00 0.00 59.70 59.15 1a5r h MET 59 Cb 0.08 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1a5r h MET 59 CO 0.00 0.77 -0.89 -2.95 0.23 0.00 0.00 176.91 174.07 1a5r h ASN 60 N 1.20 0.22 0.00 1.39 7.08 -1.87 -3.40 115.58 120.21 1a5r h ASN 60 Ca 0.43 -0.19 0.00 0.00 -3.08 0.00 0.00 56.30 53.46 1a5r h ASN 60 Cb 0.14 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.31 1a5r h ASN 60 CO -0.17 1.00 0.00 -1.20 -2.08 0.00 0.00 177.43 174.99 1a5r n SER 61 N -3.63 0.08 -4.51 6.14 7.64 -1.02 -4.90 113.62 113.42 1a5r n SER 61 Ca -0.03 -0.37 -0.26 0.00 1.01 0.00 0.00 58.87 59.22 1a5r n SER 61 Cb 0.82 0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 64.27 1a5r n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5r s LEU 62 N -0.71 2.74 0.02 -3.43 1.02 0.85 -2.49 118.68 116.68 1a5r s LEU 62 Ca 0.00 -0.77 0.08 0.00 0.02 0.00 0.00 54.13 53.46 1a5r s LEU 62 Cb 0.00 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 1a5r s LEU 62 CO 0.00 0.09 -0.24 -0.60 0.02 0.00 0.00 176.35 175.62 1a5r s ARG 63 N -2.99 1.75 -0.21 1.70 3.52 -0.54 -4.13 118.95 118.05 1a5r s ARG 63 Ca 0.25 -0.97 -0.06 0.00 -0.13 0.00 0.00 55.73 54.81 1a5r s ARG 63 Cb -0.08 -1.82 -0.03 0.00 -1.56 0.00 0.00 34.95 31.46 1a5r s ARG 63 CO 0.14 0.48 0.04 -0.06 -0.81 0.00 0.00 175.30 175.09 1a5r s PHE 64 N -0.71 3.10 -0.13 5.12 0.08 -1.26 -1.15 117.98 123.03 1a5r s PHE 64 Ca 0.10 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1a5r s PHE 64 Cb -0.09 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1a5r s PHE 64 CO 0.01 -0.18 0.04 -1.17 -0.10 0.00 0.00 175.22 173.82 1a5r s LEU 65 N 1.05 3.76 0.00 -0.37 2.96 0.27 -2.70 118.68 123.66 1a5r s LEU 65 Ca 0.03 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1a5r s LEU 65 Cb -0.14 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1a5r s LEU 65 CO 0.02 0.29 0.00 0.33 -1.32 0.00 0.00 176.35 175.67 1a5r n PHE 66 N 2.75 0.00 0.41 5.38 -0.00 -1.12 -0.47 117.46 124.40 1a5r n PHE 66 Ca -0.18 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.38 1a5r n PHE 66 Cb 0.53 0.00 0.47 0.00 -0.00 0.00 0.00 39.48 40.49 1a5r n PHE 66 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1a5r n GLU 67 N -0.78 0.18 0.00 -4.13 0.28 -1.26 -4.73 120.64 110.19 1a5r n GLU 67 Ca 0.00 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 1a5r n GLU 67 Cb 0.00 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.03 1a5r n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a5r n GLY 68 N 0.01 0.82 3.76 -1.84 0.00 -1.26 -5.13 105.19 101.55 1a5r n GLY 68 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1a5r n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5r n GLN 69 N 0.00 0.72 -2.08 1.61 10.64 -1.26 -5.04 117.38 121.97 1a5r n GLN 69 Ca 0.00 -3.83 -0.42 0.00 -1.83 0.00 0.00 57.00 50.92 1a5r n GLN 69 Cb 0.00 1.06 -0.03 0.00 -0.86 0.00 0.00 30.24 30.41 1a5r n GLN 69 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1a5r s ARG 70 N -3.89 4.28 0.39 2.61 0.52 -1.26 -2.80 118.95 118.80 1a5r s ARG 70 Ca 0.01 2.18 0.08 0.00 -0.52 0.00 0.00 55.73 57.47 1a5r s ARG 70 Cb 0.00 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.16 1a5r s ARG 70 CO 0.01 -0.51 0.07 0.96 0.02 0.00 0.00 175.30 175.84 1a5r s ILE 71 N 1.24 2.27 0.48 1.52 -4.36 -1.10 -4.93 121.20 116.33 1a5r s ILE 71 Ca 0.67 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 59.21 1a5r s ILE 71 Cb -0.39 -2.93 0.05 0.00 1.25 0.00 0.00 42.46 40.44 1a5r s ILE 71 CO 0.30 -0.06 0.42 0.00 0.24 0.00 0.00 174.94 175.84 1a5r n ALA 72 N -1.05 0.79 -2.33 2.27 0.00 -1.26 -4.90 120.51 114.03 1a5r n ALA 72 Ca -0.03 -1.88 -0.27 0.00 0.00 0.00 0.00 53.44 51.25 1a5r n ALA 72 Cb 0.65 0.73 0.01 0.00 0.00 0.00 0.00 19.45 20.83 1a5r n ALA 72 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5r n ASP 73 N -1.96 4.97 -0.96 0.00 5.68 -1.26 -4.72 116.55 118.30 1a5r n ASP 73 Ca 0.01 -3.73 0.05 0.00 -0.50 0.00 0.00 54.79 50.61 1a5r n ASP 73 Cb 0.53 -0.48 0.09 0.00 -1.14 0.00 0.00 41.12 40.12 1a5r n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1a5r n ASN 74 N -0.54 1.22 -4.19 -1.12 0.23 -1.26 -4.41 115.26 105.19 1a5r n ASN 74 Ca 0.41 -2.71 -0.14 0.00 -0.53 0.00 0.00 54.58 51.61 1a5r n ASN 74 Cb 0.70 -0.37 -0.11 0.00 -2.08 0.00 0.00 39.78 37.92 1a5r n ASN 74 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1a5r s HIS 75 N -1.29 1.10 0.00 -2.53 -3.43 -1.26 -4.89 115.29 102.98 1a5r s HIS 75 Ca 0.31 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 1a5r s HIS 75 Cb 0.32 -0.59 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 1a5r s HIS 75 CO -0.10 0.01 0.00 0.25 -2.00 0.00 0.00 174.74 172.90 1a5r n THR 76 N 0.34 0.00 0.28 -5.38 -2.24 -1.26 -4.05 114.28 101.97 1a5r n THR 76 Ca -0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1a5r n THR 76 Cb 0.59 -0.65 0.80 0.00 -2.10 0.00 0.00 70.33 68.97 1a5r n THR 76 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1a5r h PRO 77 N 0.00 0.00 0.00 -0.78 0.13 -1.93 0.12 132.00 129.54 1a5r h PRO 77 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a5r h PRO 77 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a5r h PRO 77 CO 0.00 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 178.94 1a5r n LYS 78 N -4.15 0.00 -0.00 0.86 4.81 -1.26 -3.91 118.16 114.51 1a5r n LYS 78 Ca -0.03 0.47 0.03 0.00 -0.87 0.00 0.00 58.31 57.91 1a5r n LYS 78 Cb 0.09 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.66 1a5r n LYS 78 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a5r n GLU 79 N -1.91 1.17 0.00 1.64 -0.58 -1.24 -4.49 120.64 115.23 1a5r n GLU 79 Ca 0.00 -0.05 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 1a5r n GLU 79 Cb 0.00 -1.09 0.67 0.00 -0.57 0.00 0.00 31.44 30.45 1a5r n GLU 79 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1a5r n LEU 80 N -1.61 0.53 0.25 -4.62 4.32 0.09 -4.06 117.00 111.89 1a5r n LEU 80 Ca -0.01 -0.07 0.11 0.00 -0.02 0.00 0.00 56.01 56.03 1a5r n LEU 80 Cb 0.16 -0.12 0.46 0.00 -1.62 0.00 0.00 43.42 42.30 1a5r n LEU 80 CO 0.14 0.09 1.10 1.23 -1.22 0.00 0.00 177.39 178.73 1a5r h GLY 81 N 4.96 0.00 -4.22 -0.72 0.00 -0.99 -3.41 103.07 98.68 1a5r h GLY 81 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1a5r h GLY 81 CO 0.00 0.00 0.75 1.06 0.00 0.00 0.00 176.54 178.35 1a5r s MET 82 N -4.15 4.28 0.00 4.80 -1.94 -1.26 -4.90 119.30 116.13 1a5r s MET 82 Ca -0.02 2.29 0.15 0.00 -1.71 0.00 0.00 55.69 56.40 1a5r s MET 82 Cb 0.07 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1a5r s MET 82 CO 0.22 -0.40 0.83 -0.85 -0.01 0.00 0.00 175.02 174.81 1a5r n GLU 83 N 2.27 1.71 0.00 2.03 0.00 -1.26 -4.71 120.64 120.68 1a5r n GLU 83 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 57.16 56.42 1a5r n GLU 83 Cb 0.40 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.60 1a5r n GLU 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1a5r n GLU 84 N -0.10 0.00 -3.66 3.44 1.02 -1.26 -3.78 120.64 116.30 1a5r n GLU 84 Ca 0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.95 1a5r n GLU 84 Cb 0.32 -0.08 -0.17 0.00 -0.02 0.00 0.00 31.44 31.49 1a5r n GLU 84 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1a5r s GLU 85 N 0.00 0.26 -0.02 3.49 0.41 -1.23 -0.69 118.70 120.91 1a5r s GLU 85 Ca 0.00 -0.14 0.01 0.00 -0.41 0.00 0.00 54.97 54.43 1a5r s GLU 85 Cb 0.00 -1.77 0.02 0.00 -1.78 0.00 0.00 34.13 30.59 1a5r s GLU 85 CO 0.00 -0.62 -0.01 0.34 -0.49 0.00 0.00 175.26 174.48 1a5r s ASP 86 N 2.05 0.37 -0.06 -0.19 -1.08 -0.01 -4.75 116.67 113.00 1a5r s ASP 86 Ca 0.01 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.06 1a5r s ASP 86 Cb -0.16 -0.15 -0.01 0.00 -1.46 0.00 0.00 42.92 41.15 1a5r s ASP 86 CO -0.08 -0.05 -0.22 0.54 0.52 0.00 0.00 175.17 175.88 1a5r s VAL 87 N 0.61 1.84 -0.01 1.11 0.11 -1.26 -1.18 120.40 121.61 1a5r s VAL 87 Ca -0.06 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1a5r s VAL 87 Cb -0.09 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.18 1a5r s VAL 87 CO -0.01 0.51 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.52 1a5r s ILE 88 N 0.01 1.01 -0.12 7.04 1.09 -0.75 -4.58 121.20 124.91 1a5r s ILE 88 Ca -0.07 -0.54 0.02 0.00 -1.10 0.00 0.00 60.65 58.96 1a5r s ILE 88 Cb -0.14 -0.84 -0.00 0.00 -1.06 0.00 0.00 42.46 40.41 1a5r s ILE 88 CO 0.04 0.29 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.36 1a5r s GLU 89 N -0.28 3.16 -0.07 2.79 8.01 0.38 -2.00 118.70 130.69 1a5r s GLU 89 Ca 0.05 -0.81 0.01 0.00 0.01 0.00 0.00 54.97 54.23 1a5r s GLU 89 Cb -0.05 -2.45 -0.03 0.00 -4.31 0.00 0.00 34.13 27.29 1a5r s GLU 89 CO -0.00 0.14 -0.08 0.14 0.01 0.00 0.00 175.26 175.46 1a5r s VAL 90 N 0.47 3.56 -0.41 2.63 -7.23 -0.22 0.97 120.40 120.17 1a5r s VAL 90 Ca -0.13 -0.53 -0.10 0.00 -1.81 0.00 0.00 61.98 59.41 1a5r s VAL 90 Cb -0.17 -2.45 0.07 0.00 0.56 0.00 0.00 36.38 34.39 1a5r s VAL 90 CO 0.06 0.59 0.26 -0.31 -0.31 0.00 0.00 175.10 175.38 1a5r s TYR 91 N -0.72 3.31 -0.25 2.82 1.51 -0.30 -3.02 117.35 120.71 1a5r s TYR 91 Ca 0.11 -1.35 -0.18 0.00 -1.01 0.00 0.00 57.07 54.63 1a5r s TYR 91 Cb -0.11 -2.84 -0.03 0.00 -0.11 0.00 0.00 41.96 38.87 1a5r s TYR 91 CO 0.01 -0.80 0.53 -0.65 -1.11 0.00 0.00 175.55 173.54 1a5r s GLN 92 N 1.47 4.10 0.00 -0.62 -0.21 -1.26 -1.47 119.66 121.67 1a5r s GLN 92 Ca 0.03 0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.78 1a5r s GLN 92 Cb -0.22 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1a5r s GLN 92 CO 0.03 -0.31 0.12 -1.91 -2.12 0.00 0.00 175.29 171.10 1a5r n GLU 93 N 5.39 0.80 -5.17 2.91 0.00 -1.04 -4.95 120.64 118.58 1a5r n GLU 93 Ca -0.04 -0.12 -0.32 0.00 0.00 0.00 0.00 57.16 56.68 1a5r n GLU 93 Cb 0.50 -0.51 -0.16 0.00 0.00 0.00 0.00 31.44 31.27 1a5r n GLU 93 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1a5r s GLN 94 N -0.15 2.78 0.00 5.31 -0.21 -1.16 -4.98 119.66 121.25 1a5r s GLN 94 Ca 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 55.36 54.60 1a5r s GLN 94 Cb 0.00 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 1a5r s GLN 94 CO 0.00 0.33 0.51 0.25 -2.12 0.00 0.00 175.29 174.26 1a5r n THR 95 N 3.12 0.00 -0.10 -0.19 -2.24 -1.26 -4.78 114.28 108.82 1a5r n THR 95 Ca -0.18 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.21 1a5r n THR 95 Cb 0.52 1.08 -0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1a5r n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a5r n GLY 96 N 0.84 -1.53 1.76 3.38 0.00 -1.26 -4.99 105.19 103.39 1a5r n GLY 96 Ca 0.03 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 1a5r n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5r n GLY 97 N -1.67 0.29 0.28 -0.02 0.00 -1.26 -4.91 105.19 97.90 1a5r n GLY 97 Ca -0.00 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.82 1a5r n GLY 97 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1a5r h HIS 98 N -0.57 0.00 -4.20 1.61 -0.00 -2.05 -3.44 115.15 106.50 1a5r h HIS 98 Ca -0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.08 1a5r h HIS 98 Cb 1.10 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.36 1a5r h HIS 98 CO 0.12 0.06 -0.60 -1.54 -0.00 0.00 0.00 177.93 175.96 1a5r s SER 99 N -6.08 0.36 0.25 3.10 1.04 -1.26 -5.05 113.70 106.06 1a5r s SER 99 Ca -0.04 -0.99 -0.06 0.00 0.48 0.00 0.00 55.95 55.34 1a5r s SER 99 Cb 0.14 0.26 0.25 0.00 0.10 0.00 0.00 66.02 66.77 1a5r s SER 99 CO 0.55 -0.67 1.90 0.74 0.98 0.00 0.00 173.24 176.75 1a5r h THR 100 N 2.99 1.26 0.00 2.02 2.02 -2.03 -3.54 112.91 115.62 1a5r h THR 100 Ca -0.34 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1a5r h THR 100 Cb 1.17 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1a5r h THR 100 CO 0.62 0.26 0.00 0.52 0.37 0.00 0.00 175.52 177.29