#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5r s SER 0 N 0.00 1.77 0.36 1.61 1.04 -1.26 -5.02 113.70 112.20 1a5r s SER 0 Ca 0.00 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.88 1a5r s SER 0 Cb 0.00 -0.06 0.70 0.00 0.10 0.00 0.00 66.02 66.75 1a5r s SER 0 CO 0.00 -0.05 1.91 0.24 0.98 0.00 0.00 173.24 176.32 1a5r h MET 1 N 4.33 0.42 -7.08 4.02 0.00 -2.00 -3.42 114.93 111.19 1a5r h MET 1 Ca -0.41 -0.08 -0.48 0.00 0.00 0.00 0.00 59.70 58.73 1a5r h MET 1 Cb 1.19 -0.06 0.03 0.00 0.00 0.00 0.00 31.60 32.76 1a5r h MET 1 CO 0.40 0.47 0.39 -1.12 0.00 0.00 0.00 176.91 177.05 1a5r s SER 2 N -6.79 6.23 0.00 1.22 0.01 -1.26 -4.93 113.70 108.18 1a5r s SER 2 Ca -0.07 1.97 0.18 0.00 1.31 0.00 0.00 55.95 59.33 1a5r s SER 2 Cb 0.16 -2.56 0.50 0.00 0.21 0.00 0.00 66.02 64.32 1a5r s SER 2 CO 0.75 -0.86 1.41 -0.90 0.41 0.00 0.00 173.24 174.05 1a5r n ASP 3 N -1.04 2.85 -4.45 2.44 5.75 -1.26 -4.87 116.55 115.96 1a5r n ASP 3 Ca 0.10 -1.98 -0.31 0.00 -0.01 0.00 0.00 54.79 52.60 1a5r n ASP 3 Cb 0.52 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 40.15 1a5r n ASP 3 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1a5r s GLN 4 N -1.34 2.01 0.43 0.11 -1.52 -1.26 -5.01 119.66 113.08 1a5r s GLN 4 Ca 0.36 -1.02 0.14 0.00 -1.95 0.00 0.00 55.36 52.89 1a5r s GLN 4 Cb 0.19 -2.16 1.02 0.00 -0.22 0.00 0.00 33.01 31.84 1a5r s GLN 4 CO 0.25 0.53 1.98 0.93 -0.25 0.00 0.00 175.29 178.73 1a5r h GLU 5 N 4.46 0.41 -6.85 2.91 5.08 -2.02 -3.41 114.58 115.16 1a5r h GLU 5 Ca -0.48 -0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.31 1a5r h GLU 5 Cb 1.16 -0.09 0.11 0.00 0.50 0.00 0.00 28.75 30.42 1a5r h GLU 5 CO 0.47 0.27 0.71 0.00 -1.00 0.00 0.00 179.01 179.46 1a5r n ALA 6 N -2.52 2.06 -2.38 3.43 0.00 -1.26 -4.99 120.51 114.85 1a5r n ALA 6 Ca 0.10 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1a5r n ALA 6 Cb 0.37 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 17.30 1a5r n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a5r s LYS 7 N -1.77 2.09 0.54 0.00 1.02 -1.26 -4.97 119.74 115.39 1a5r s LYS 7 Ca 0.56 -0.95 0.27 0.00 0.02 0.00 0.00 55.97 55.87 1a5r s LYS 7 Cb -0.51 -2.11 1.55 0.00 -0.52 0.00 0.00 37.83 36.24 1a5r s LYS 7 CO 0.61 0.56 2.14 -1.00 -0.92 0.00 0.00 175.35 176.73 1a5r h PRO 8 N 5.10 0.00 -0.85 -1.68 0.14 -1.96 -2.30 132.00 130.45 1a5r h PRO 8 Ca -0.45 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.67 1a5r h PRO 8 Cb 1.14 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 32.24 1a5r h PRO 8 CO 0.47 0.08 0.46 0.66 0.14 0.00 0.00 178.00 179.81 1a5r h SER 9 N 0.00 1.06 -0.53 1.44 4.64 -2.01 -1.78 113.55 116.36 1a5r h SER 9 Ca -0.00 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1a5r h SER 9 Cb 0.19 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1a5r h SER 9 CO 0.01 0.85 0.35 0.74 -0.87 0.00 0.00 176.83 177.91 1a5r h THR 10 N 1.19 1.00 -0.48 2.95 2.02 -1.79 0.12 112.91 117.92 1a5r h THR 10 Ca 0.30 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1a5r h THR 10 Cb 0.03 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1a5r h THR 10 CO -0.05 0.09 0.25 -0.08 0.37 0.00 0.00 175.52 176.11 1a5r h GLU 11 N 0.51 0.65 -0.52 6.66 4.81 -1.43 -1.34 114.58 123.92 1a5r h GLU 11 Ca 0.23 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1a5r h GLU 11 Cb 0.25 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1a5r h GLU 11 CO -0.06 0.49 0.33 0.22 -0.73 0.00 0.00 179.01 179.26 1a5r h ASP 12 N 0.66 0.60 -3.81 1.04 3.58 -0.73 -3.38 116.42 114.39 1a5r h ASP 12 Ca 0.17 -0.02 -0.48 0.00 0.42 0.00 0.00 57.03 57.12 1a5r h ASP 12 Cb 0.03 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1a5r h ASP 12 CO -0.03 0.45 0.29 -0.76 -2.88 0.00 0.00 179.24 176.31 1a5r s LEU 13 N -9.59 4.34 -1.05 2.28 1.43 -0.51 -3.46 118.68 112.12 1a5r s LEU 13 Ca -0.09 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1a5r s LEU 13 Cb 0.17 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1a5r s LEU 13 CO 0.75 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.90 1a5r n GLY 14 N 0.60 0.65 0.32 -3.19 0.00 -1.26 -4.87 105.19 97.43 1a5r n GLY 14 Ca 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 0.51 0.00 1.61 3.58 -1.73 -3.47 116.42 116.92 1a5r h ASP 15 Ca -0.24 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1a5r h ASP 15 Cb 0.92 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1a5r h ASP 15 CO 0.32 0.36 0.00 0.29 -2.88 0.00 0.00 179.24 177.33 1a5r n LYS 16 N -4.47 0.00 -3.87 0.28 5.02 -1.26 -4.67 118.16 109.18 1a5r n LYS 16 Ca 0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1a5r n LYS 16 Cb 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.93 1a5r n LYS 16 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1a5r s LYS 17 N 0.00 1.32 0.19 1.97 2.20 -1.26 -5.01 119.74 119.15 1a5r s LYS 17 Ca 0.00 -0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 1a5r s LYS 17 Cb 0.00 -1.56 0.09 0.00 -1.51 0.00 0.00 37.83 34.85 1a5r s LYS 17 CO 0.00 -0.31 1.66 1.49 -0.36 0.00 0.00 175.35 177.83 1a5r h GLU 18 N 8.20 1.08 -3.70 4.03 4.57 -1.93 -3.45 114.58 123.38 1a5r h GLU 18 Ca -0.27 -0.33 -0.16 0.00 -1.18 0.00 0.00 59.36 57.43 1a5r h GLU 18 Cb 1.13 -0.11 -0.21 0.00 -0.16 0.00 0.00 28.75 29.40 1a5r h GLU 18 CO 0.38 1.04 -0.58 0.20 -1.18 0.00 0.00 179.01 178.86 1a5r s GLY 19 N -3.57 0.12 0.39 1.92 0.00 -1.26 -5.04 107.32 99.88 1a5r s GLY 19 Ca -0.12 -0.30 0.16 0.00 0.00 0.00 0.00 44.72 44.46 1a5r s GLY 19 CO 0.86 -0.41 1.84 1.05 0.00 0.00 0.00 173.10 176.44 1a5r h GLU 20 N 4.49 0.00 -6.18 2.90 4.11 -1.89 -3.44 114.58 114.57 1a5r h GLU 20 Ca -0.31 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.46 1a5r h GLU 20 Cb 1.20 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 1a5r h GLU 20 CO 0.41 0.35 -0.63 0.71 0.07 0.00 0.00 179.01 179.91 1a5r s TYR 21 N -4.08 3.10 0.34 2.06 2.02 -1.26 -3.22 117.35 116.31 1a5r s TYR 21 Ca -0.02 0.07 0.05 0.00 -0.37 0.00 0.00 57.07 56.80 1a5r s TYR 21 Cb 0.14 -1.64 -0.07 0.00 -0.40 0.00 0.00 41.96 39.99 1a5r s TYR 21 CO 0.70 0.49 0.03 0.96 -1.57 0.00 0.00 175.55 176.16 1a5r s ILE 22 N -1.19 1.45 -0.69 2.71 -0.00 -0.30 -4.50 121.20 118.68 1a5r s ILE 22 Ca 0.23 -2.01 -0.15 0.00 -0.00 0.00 0.00 60.65 58.72 1a5r s ILE 22 Cb -0.12 -2.82 0.18 0.00 -0.00 0.00 0.00 42.46 39.70 1a5r s ILE 22 CO 0.14 -0.03 0.63 -0.75 -0.00 0.00 0.00 174.94 174.94 1a5r s LYS 23 N -3.83 3.29 -0.13 0.37 2.20 -0.10 -1.49 119.74 120.05 1a5r s LYS 23 Ca 0.36 -2.12 -0.04 0.00 -0.36 0.00 0.00 55.97 53.81 1a5r s LYS 23 Cb 0.09 -4.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.03 1a5r s LYS 23 CO 0.16 -1.30 -0.00 -1.17 -0.36 0.00 0.00 175.35 172.67 1a5r s LEU 24 N 0.82 3.49 -0.04 5.43 0.20 0.11 -2.16 118.68 126.53 1a5r s LEU 24 Ca 0.11 0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.99 1a5r s LEU 24 Cb -0.19 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1a5r s LEU 24 CO -0.03 0.26 -0.14 -1.59 -0.29 0.00 0.00 176.35 174.55 1a5r s LYS 25 N -0.18 1.60 -0.04 1.98 -2.85 -0.81 -2.39 119.74 117.05 1a5r s LYS 25 Ca 0.05 -0.50 0.05 0.00 -1.00 0.00 0.00 55.97 54.56 1a5r s LYS 25 Cb -0.13 -1.39 -0.01 0.00 -2.06 0.00 0.00 37.83 34.25 1a5r s LYS 25 CO 0.02 0.17 -0.20 0.14 0.10 0.00 0.00 175.35 175.58 1a5r s VAL 26 N 0.21 1.64 0.18 1.79 -7.23 -0.46 -2.42 120.40 114.11 1a5r s VAL 26 Ca -0.06 -0.84 0.10 0.00 -1.81 0.00 0.00 61.98 59.36 1a5r s VAL 26 Cb -0.12 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 1a5r s VAL 26 CO 0.02 0.47 -0.20 0.27 -0.31 0.00 0.00 175.10 175.34 1a5r s ILE 27 N -0.08 2.06 0.16 -0.62 -4.36 -0.93 -1.73 121.20 115.70 1a5r s ILE 27 Ca -0.02 -1.99 0.06 0.00 -0.26 0.00 0.00 60.65 58.44 1a5r s ILE 27 Cb -0.12 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1a5r s ILE 27 CO 0.02 -0.25 -0.13 -0.83 0.24 0.00 0.00 174.94 174.00 1a5r s GLY 28 N -2.72 1.21 0.00 6.27 0.00 -0.72 -0.40 107.32 110.96 1a5r s GLY 28 Ca 0.18 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.42 1a5r s GLY 28 CO 0.08 -1.61 1.06 -0.18 0.00 0.00 0.00 173.10 172.46 1a5r n GLN 29 N -0.11 0.02 -0.14 2.90 7.27 -1.21 -1.27 117.38 124.84 1a5r n GLN 29 Ca -0.10 0.38 0.01 0.00 0.07 0.00 0.00 57.00 57.36 1a5r n GLN 29 Cb 0.60 -1.50 0.07 0.00 2.41 0.00 0.00 30.24 31.82 1a5r n GLN 29 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1a5r n ASP 30 N -1.43 1.67 -3.16 1.69 5.75 -1.26 -4.80 116.55 115.00 1a5r n ASP 30 Ca 0.01 -2.14 -0.20 0.00 -0.01 0.00 0.00 54.79 52.45 1a5r n ASP 30 Cb 0.04 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 39.73 1a5r n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a5r n SER 31 N 0.08 -5.48 -4.61 -1.12 7.64 -0.39 -4.97 113.62 104.76 1a5r n SER 31 Ca 0.05 -0.47 -0.38 0.00 1.01 0.00 0.00 58.87 59.08 1a5r n SER 31 Cb 0.37 -4.41 -0.10 0.00 -1.01 0.00 0.00 64.21 59.06 1a5r n SER 31 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a5r s SER 32 N -3.35 6.09 -0.21 6.43 1.04 -1.08 -4.94 113.70 117.68 1a5r s SER 32 Ca 0.47 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 1a5r s SER 32 Cb -0.20 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1a5r s SER 32 CO 0.63 -0.06 -0.10 -0.70 0.98 0.00 0.00 173.24 173.99 1a5r s GLU 33 N 1.70 3.24 -0.23 4.02 2.12 -1.26 -1.76 118.70 126.53 1a5r s GLU 33 Ca 0.09 -0.70 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1a5r s GLU 33 Cb -0.16 -2.86 0.04 0.00 0.26 0.00 0.00 34.13 31.42 1a5r s GLU 33 CO 0.10 -0.20 -0.13 0.42 -0.54 0.00 0.00 175.26 174.90 1a5r s ILE 34 N 1.41 2.30 -0.50 -3.70 -1.09 -0.70 -4.99 121.20 113.93 1a5r s ILE 34 Ca 0.06 -1.22 0.03 0.00 -2.23 0.00 0.00 60.65 57.29 1a5r s ILE 34 Cb -0.14 -2.17 0.14 0.00 -1.58 0.00 0.00 42.46 38.71 1a5r s ILE 34 CO -0.07 0.24 0.27 -1.00 -1.23 0.00 0.00 174.94 173.16 1a5r s HIS 35 N 1.23 2.73 0.27 3.97 3.76 -1.26 -1.35 115.29 124.64 1a5r s HIS 35 Ca -0.01 -2.90 -0.07 0.00 -0.15 0.00 0.00 55.06 51.93 1a5r s HIS 35 Cb -0.17 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 1a5r s HIS 35 CO -0.08 -0.74 0.41 -0.59 -0.85 0.00 0.00 174.74 172.89 1a5r s PHE 36 N -0.15 0.77 0.01 1.40 -0.71 -1.01 -4.99 117.98 113.31 1a5r s PHE 36 Ca 0.18 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.01 1a5r s PHE 36 Cb -0.23 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 1a5r s PHE 36 CO -0.02 -0.97 0.08 0.15 -1.34 0.00 0.00 175.22 173.12 1a5r s LYS 37 N -3.70 3.04 0.29 1.99 1.02 -1.25 0.04 119.74 121.16 1a5r s LYS 37 Ca 0.29 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.80 1a5r s LYS 37 Cb 0.01 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1a5r s LYS 37 CO 0.14 0.64 0.15 0.28 -0.92 0.00 0.00 175.35 175.63 1a5r n VAL 38 N 1.09 0.00 -4.45 3.17 0.31 -0.56 -4.84 118.33 113.05 1a5r n VAL 38 Ca -0.12 -1.82 -0.34 0.00 -0.01 0.00 0.00 64.34 62.05 1a5r n VAL 38 Cb 0.53 0.75 -0.12 0.00 -0.91 0.00 0.00 33.84 34.09 1a5r n VAL 38 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1a5r s LYS 39 N -3.12 3.47 -0.61 5.55 2.20 -1.26 -1.15 119.74 124.82 1a5r s LYS 39 Ca 0.21 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1a5r s LYS 39 Cb 0.01 -2.84 0.18 0.00 -1.51 0.00 0.00 37.83 33.67 1a5r s LYS 39 CO 0.15 0.34 0.49 -1.33 -0.36 0.00 0.00 175.35 174.64 1a5r n MET 40 N 3.22 1.44 0.00 4.03 2.81 -1.20 -4.59 117.12 122.83 1a5r n MET 40 Ca -0.18 -4.11 0.10 0.00 -1.81 0.00 0.00 57.70 51.70 1a5r n MET 40 Cb 0.53 -2.08 -0.10 0.00 -0.71 0.00 0.00 33.22 30.86 1a5r n MET 40 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1a5r n THR 41 N 2.03 0.00 0.00 2.03 -1.04 -1.26 -4.90 114.28 111.14 1a5r n THR 41 Ca 0.24 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1a5r n THR 41 Cb 0.40 0.95 0.00 0.00 -1.82 0.00 0.00 70.33 69.86 1a5r n THR 41 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1a5r n THR 42 N -1.50 0.00 -4.34 12.58 -2.24 -1.26 -5.11 114.28 112.41 1a5r n THR 42 Ca 0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.54 1a5r n THR 42 Cb 0.33 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 1a5r n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1a5r s HIS 43 N 1.79 2.20 -1.84 4.78 3.76 -1.26 -4.29 115.29 120.44 1a5r s HIS 43 Ca 0.00 -0.75 0.10 0.00 -0.15 0.00 0.00 55.06 54.26 1a5r s HIS 43 Cb 0.00 -1.83 0.55 0.00 1.11 0.00 0.00 32.58 32.41 1a5r s HIS 43 CO 0.00 0.12 1.07 1.47 -0.85 0.00 0.00 174.74 176.54 1a5r n LEU 44 N -1.30 0.00 -0.18 0.89 -0.00 -1.26 -2.95 117.00 112.19 1a5r n LEU 44 Ca -0.07 0.08 0.04 0.00 -0.00 0.00 0.00 56.01 56.06 1a5r n LEU 44 Cb 0.66 -0.08 0.32 0.00 -0.00 0.00 0.00 43.42 44.31 1a5r n LEU 44 CO 0.43 -0.06 1.22 0.07 -0.00 0.00 0.00 177.39 179.05 1a5r h LYS 45 N 0.00 0.81 -0.67 1.47 2.10 -1.89 -1.34 116.57 117.06 1a5r h LYS 45 Ca 0.00 -0.05 0.06 0.00 -2.00 0.00 0.00 60.65 58.66 1a5r h LYS 45 Cb 0.02 -0.18 -0.06 0.00 -0.90 0.00 0.00 32.23 31.12 1a5r h LYS 45 CO 0.00 0.54 0.37 0.87 -2.00 0.00 0.00 179.45 179.23 1a5r h LYS 46 N 0.84 0.67 0.10 0.07 1.79 -1.85 1.46 116.57 119.65 1a5r h LYS 46 Ca 0.29 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1a5r h LYS 46 Cb 0.09 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1a5r h LYS 46 CO -0.08 0.44 -0.05 1.25 -1.08 0.00 0.00 179.45 179.93 1a5r h LEU 47 N 0.69 -0.12 -0.01 2.94 7.12 -1.61 -3.32 115.31 121.00 1a5r h LEU 47 Ca 0.30 -0.43 -0.23 0.00 0.13 0.00 0.00 57.88 57.66 1a5r h LEU 47 Cb 0.19 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1a5r h LEU 47 CO -0.18 0.52 -1.05 0.07 -0.13 0.00 0.00 178.44 177.66 1a5r h LYS 48 N -0.91 0.11 -0.15 1.25 5.09 -1.22 -2.97 116.57 117.77 1a5r h LYS 48 Ca -0.01 -0.18 0.03 0.00 0.09 0.00 0.00 60.65 60.58 1a5r h LYS 48 Cb 0.54 0.06 -0.03 0.00 0.10 0.00 0.00 32.23 32.90 1a5r h LYS 48 CO 0.02 1.06 -0.03 1.49 -2.09 0.00 0.00 179.45 179.90 1a5r h GLU 49 N 0.04 0.01 -0.51 0.07 4.81 0.19 2.51 114.58 121.70 1a5r h GLU 49 Ca -0.05 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1a5r h GLU 49 Cb 1.78 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 1a5r h GLU 49 CO 0.15 0.01 0.25 0.77 -0.73 0.00 0.00 179.01 179.47 1a5r h SER 50 N 0.01 0.65 0.08 1.04 0.02 -1.67 0.64 113.55 114.33 1a5r h SER 50 Ca 0.07 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1a5r h SER 50 Cb 0.10 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1a5r h SER 50 CO -0.15 0.59 -0.08 0.22 -1.14 0.00 0.00 176.83 176.27 1a5r h TYR 51 N 0.67 0.00 0.05 3.45 3.20 -1.05 -0.16 116.97 123.13 1a5r h TYR 51 Ca 0.18 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1a5r h TYR 51 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1a5r h TYR 51 CO -0.01 0.08 -0.02 0.00 -1.64 0.00 0.00 178.16 176.57 1a5r h GLN 53 N -0.27 1.02 -0.58 0.00 4.20 -1.00 3.10 115.11 121.58 1a5r h GLN 53 Ca -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1a5r h GLN 53 Cb 0.05 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1a5r h GLN 53 CO 0.01 0.68 0.31 -0.09 -0.67 0.00 0.00 178.83 179.07 1a5r h ARG 54 N 1.05 0.79 0.00 1.46 9.65 -1.19 -3.27 114.38 122.89 1a5r h ARG 54 Ca 0.32 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1a5r h ARG 54 Cb -0.02 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1a5r h ARG 54 CO -0.10 0.59 0.00 1.04 2.80 0.00 0.00 179.97 184.30 1a5r n GLN 55 N -4.39 -0.86 0.00 0.20 6.02 -0.88 -5.07 117.38 112.41 1a5r n GLN 55 Ca 0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 1a5r n GLN 55 Cb 0.10 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1a5r n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a5r n GLY 56 N -0.01 3.05 3.76 1.08 0.00 1.03 -5.02 105.19 109.08 1a5r n GLY 56 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1a5r n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a5r s VAL 57 N 0.00 2.80 -1.47 1.61 -7.23 -0.59 -4.45 120.40 111.07 1a5r s VAL 57 Ca 0.00 0.56 0.11 0.00 -1.81 0.00 0.00 61.98 60.84 1a5r s VAL 57 Cb 0.00 -3.26 0.20 0.00 0.56 0.00 0.00 36.38 33.88 1a5r s VAL 57 CO 0.00 -0.05 1.23 -0.81 -0.31 0.00 0.00 175.10 175.16 1a5r n PRO 58 N -0.98 0.17 -0.27 4.82 -0.04 -1.25 -3.59 135.00 133.85 1a5r n PRO 58 Ca 0.10 0.17 0.32 0.00 -0.04 0.00 0.00 63.50 64.05 1a5r n PRO 58 Cb 0.48 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.16 1a5r n PRO 58 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1a5r h MET 59 N 0.00 0.04 0.00 0.54 2.86 -1.90 -3.34 114.93 113.13 1a5r h MET 59 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1a5r h MET 59 Cb 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1a5r h MET 59 CO 0.00 0.02 0.00 0.27 1.06 0.00 0.00 176.91 178.26 1a5r n ASN 60 N -4.25 0.00 0.00 1.22 2.04 -1.24 -5.01 115.26 108.02 1a5r n ASN 60 Ca 0.23 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.37 1a5r n ASN 60 Cb 1.11 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.36 1a5r n ASN 60 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 1a5r n SER 61 N 0.00 0.45 -4.86 0.53 2.88 -1.24 -4.66 113.62 106.73 1a5r n SER 61 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1a5r n SER 61 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1a5r n SER 61 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a5r s LEU 62 N -5.53 4.23 -0.15 2.46 1.02 -1.24 -1.60 118.68 117.88 1a5r s LEU 62 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1a5r s LEU 62 Cb 0.00 -2.35 -0.00 0.00 0.02 0.00 0.00 46.19 43.86 1a5r s LEU 62 CO 0.00 0.31 -0.16 -0.60 0.02 0.00 0.00 176.35 175.93 1a5r s ARG 63 N -1.59 3.23 -0.28 1.70 6.06 0.11 -3.96 118.95 124.22 1a5r s ARG 63 Ca 0.22 -0.75 -0.11 0.00 -2.50 0.00 0.00 55.73 52.60 1a5r s ARG 63 Cb -0.12 -2.60 -0.05 0.00 0.06 0.00 0.00 34.95 32.24 1a5r s ARG 63 CO 0.13 0.07 0.18 -0.06 -2.50 0.00 0.00 175.30 173.11 1a5r s PHE 64 N 0.69 3.21 -0.12 5.12 0.40 -1.26 -0.15 117.98 125.87 1a5r s PHE 64 Ca -0.07 0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.28 1a5r s PHE 64 Cb -0.16 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1a5r s PHE 64 CO 0.02 -0.19 -0.02 -1.17 0.70 0.00 0.00 175.22 174.55 1a5r s LEU 65 N 1.74 3.38 0.00 -0.37 1.98 0.17 -2.89 118.68 122.69 1a5r s LEU 65 Ca 0.07 -0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.30 1a5r s LEU 65 Cb -0.16 -1.79 0.00 0.00 0.66 0.00 0.00 46.19 44.90 1a5r s LEU 65 CO 0.10 0.26 0.00 0.33 -1.89 0.00 0.00 176.35 175.16 1a5r n PHE 66 N 2.90 0.00 0.55 5.38 7.35 -1.11 -0.11 117.46 132.41 1a5r n PHE 66 Ca -0.18 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1a5r n PHE 66 Cb 0.53 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.73 1a5r n PHE 66 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1a5r n GLU 67 N -0.99 0.03 0.00 -4.13 0.28 -1.26 -4.73 120.64 109.84 1a5r n GLU 67 Ca 0.00 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1a5r n GLU 67 Cb 0.00 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.31 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 0.22 0.98 3.54 -1.84 0.00 -1.26 -5.12 105.19 101.71 1a5r n GLY 68 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1a5r n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5r s GLN 69 N 0.00 1.90 0.21 1.61 -1.52 -1.26 -5.03 119.66 115.57 1a5r s GLN 69 Ca 0.00 -1.70 -0.32 0.00 -1.95 0.00 0.00 55.36 51.39 1a5r s GLN 69 Cb 0.00 -1.88 -0.12 0.00 -0.22 0.00 0.00 33.01 30.80 1a5r s GLN 69 CO 0.00 0.29 1.70 0.50 -0.25 0.00 0.00 175.29 177.53 1a5r s ARG 70 N -3.59 4.13 0.51 2.91 3.52 -1.26 -2.77 118.95 122.40 1a5r s ARG 70 Ca 0.31 2.59 0.04 0.00 -0.13 0.00 0.00 55.73 58.55 1a5r s ARG 70 Cb -0.04 -3.08 0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1a5r s ARG 70 CO 0.17 -0.74 0.37 0.44 -0.81 0.00 0.00 175.30 174.73 1a5r n ILE 71 N 3.88 0.00 -4.25 4.11 -6.64 -1.14 -4.92 119.36 110.40 1a5r n ILE 71 Ca 0.15 -2.05 -0.29 0.00 -1.77 0.00 0.00 62.75 58.78 1a5r n ILE 71 Cb 0.36 -0.03 -0.03 0.00 -1.44 0.00 0.00 39.64 38.49 1a5r n ILE 71 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1a5r s ALA 72 N -2.74 4.39 -0.25 -1.28 0.00 -1.26 -4.98 121.76 115.63 1a5r s ALA 72 Ca 0.28 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.58 1a5r s ALA 72 Cb -0.02 -0.43 0.45 0.00 0.00 0.00 0.00 23.12 23.12 1a5r s ALA 72 CO 0.18 -0.28 1.31 -0.40 0.00 0.00 0.00 175.76 176.56 1a5r n ASP 73 N -1.60 2.28 -0.01 0.00 5.68 -1.26 -4.67 116.55 116.97 1a5r n ASP 73 Ca -0.10 -3.86 0.00 0.00 -0.50 0.00 0.00 54.79 50.33 1a5r n ASP 73 Cb 0.65 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.09 1.16 -4.25 -1.12 2.04 -1.26 -4.37 115.26 106.37 1a5r n ASN 74 Ca 0.26 -1.62 -0.33 0.00 -0.44 0.00 0.00 54.58 52.45 1a5r n ASN 74 Cb 0.83 -0.02 -0.15 0.00 -2.53 0.00 0.00 39.78 37.91 1a5r n ASN 74 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1a5r s HIS 75 N -0.62 2.81 -0.26 -2.53 -3.43 -1.26 -4.92 115.29 105.07 1a5r s HIS 75 Ca 0.01 -1.13 -0.06 0.00 -0.80 0.00 0.00 55.06 53.08 1a5r s HIS 75 Cb 0.01 -1.93 -0.14 0.00 -1.43 0.00 0.00 32.58 29.09 1a5r s HIS 75 CO 0.00 -0.55 -0.28 2.41 -2.00 0.00 0.00 174.74 174.32 1a5r n THR 76 N 4.28 1.45 0.01 -5.38 -1.04 -1.26 -4.30 114.28 108.03 1a5r n THR 76 Ca -0.19 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.05 61.26 1a5r n THR 76 Cb 0.51 -1.62 0.05 0.00 -1.82 0.00 0.00 70.33 67.46 1a5r n THR 76 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1a5r h PRO 77 N -0.46 0.55 0.00 -2.82 0.14 -1.91 -1.69 132.00 125.81 1a5r h PRO 77 Ca -0.62 -0.35 0.00 0.00 0.14 0.00 0.00 66.00 65.17 1a5r h PRO 77 Cb 1.73 0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.92 1a5r h PRO 77 CO -0.24 0.96 0.00 1.17 0.14 0.00 0.00 178.00 180.03 1a5r n LYS 78 N -3.95 0.00 -0.17 0.86 4.81 -1.26 -4.33 118.16 114.11 1a5r n LYS 78 Ca -0.03 0.10 0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1a5r n LYS 78 Cb 0.61 -1.01 0.15 0.00 0.02 0.00 0.00 35.03 34.80 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 -0.62 2.12 -0.45 1.64 1.02 -1.26 -4.60 120.64 118.48 1a5r n GLU 79 Ca 0.00 -2.44 0.06 0.00 -0.02 0.00 0.00 57.16 54.76 1a5r n GLU 79 Cb 0.00 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.14 1a5r n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a5r n LEU 80 N -0.89 3.58 -0.45 -4.62 4.32 -0.66 -4.50 117.00 113.77 1a5r n LEU 80 Ca 0.15 -3.22 0.03 0.00 -0.02 0.00 0.00 56.01 52.95 1a5r n LEU 80 Cb 0.63 -0.54 0.09 0.00 -1.62 0.00 0.00 43.42 41.98 1a5r n LEU 80 CO 0.05 0.83 0.56 0.61 -1.22 0.00 0.00 177.39 178.21 1a5r n GLY 81 N -0.86 0.24 3.73 -0.72 0.00 -1.06 -4.79 105.19 101.73 1a5r n GLY 81 Ca 0.23 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1a5r n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a5r s MET 82 N -1.69 4.42 0.00 1.61 -1.94 -1.26 -4.94 119.30 115.50 1a5r s MET 82 Ca 0.14 0.87 0.12 0.00 -1.71 0.00 0.00 55.69 55.10 1a5r s MET 82 Cb 0.08 -3.42 0.06 0.00 2.01 0.00 0.00 34.83 33.56 1a5r s MET 82 CO 0.09 0.14 0.81 -0.85 -0.01 0.00 0.00 175.02 175.20 1a5r n GLU 83 N 3.50 1.13 0.00 2.03 0.00 -1.26 -4.74 120.64 121.30 1a5r n GLU 83 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 57.16 56.12 1a5r n GLU 83 Cb 0.51 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 30.76 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 0.36 0.34 -3.70 3.44 1.02 -1.26 -3.49 120.64 117.36 1a5r n GLU 84 Ca 0.06 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.92 1a5r n GLU 84 Cb 0.28 -0.03 -0.16 0.00 -0.02 0.00 0.00 31.44 31.51 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 0.55 -0.01 3.49 0.41 -1.26 -0.92 118.70 120.96 1a5r s GLU 85 Ca 0.00 -0.53 0.02 0.00 -0.41 0.00 0.00 54.97 54.05 1a5r s GLU 85 Cb 0.00 -1.94 -0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1a5r s GLU 85 CO 0.00 -0.76 -0.07 0.34 -0.49 0.00 0.00 175.26 174.28 1a5r s ASP 86 N 1.87 0.95 -0.01 -0.19 -1.08 -0.92 -4.82 116.67 112.47 1a5r s ASP 86 Ca 0.03 -0.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1a5r s ASP 86 Cb -0.17 -0.19 -0.00 0.00 -1.46 0.00 0.00 42.92 41.10 1a5r s ASP 86 CO -0.15 0.07 -0.10 0.54 0.52 0.00 0.00 175.17 176.05 1a5r s VAL 87 N 0.04 0.82 -0.03 1.11 0.11 -1.26 -1.92 120.40 119.27 1a5r s VAL 87 Ca -0.00 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 1a5r s VAL 87 Cb -0.06 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1a5r s VAL 87 CO -0.00 0.24 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.30 1a5r s ILE 88 N -0.12 0.68 -0.18 7.04 1.01 -1.02 -4.62 121.20 123.99 1a5r s ILE 88 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1a5r s ILE 88 Cb -0.05 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 1a5r s ILE 88 CO -0.00 0.22 -0.02 -1.61 0.00 0.00 0.00 174.94 173.54 1a5r s GLU 89 N 0.29 3.63 -0.12 2.79 2.02 0.84 -2.18 118.70 125.97 1a5r s GLU 89 Ca -0.04 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.42 1a5r s GLU 89 Cb -0.09 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 1a5r s GLU 89 CO 0.00 0.09 -0.10 0.14 0.02 0.00 0.00 175.26 175.41 1a5r s VAL 90 N 0.78 3.35 -0.39 2.63 -7.23 0.46 0.43 120.40 120.43 1a5r s VAL 90 Ca -0.00 -0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 59.47 1a5r s VAL 90 Cb -0.14 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1a5r s VAL 90 CO 0.02 0.53 0.26 -0.31 -0.31 0.00 0.00 175.10 175.29 1a5r s TYR 91 N 0.08 3.24 -0.22 2.82 2.02 0.79 -3.29 117.35 122.79 1a5r s TYR 91 Ca -0.04 -0.75 -0.15 0.00 -0.37 0.00 0.00 57.07 55.76 1a5r s TYR 91 Cb -0.14 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 1a5r s TYR 91 CO 0.04 -0.61 0.38 -0.65 -1.57 0.00 0.00 175.55 173.13 1a5r s GLN 92 N 1.62 4.13 0.00 -0.62 -0.21 -1.26 -0.71 119.66 122.61 1a5r s GLN 92 Ca 0.04 0.13 0.19 0.00 0.02 0.00 0.00 55.36 55.74 1a5r s GLN 92 Cb -0.19 -3.56 -0.11 0.00 1.00 0.00 0.00 33.01 30.14 1a5r s GLN 92 CO 0.08 -0.09 0.87 0.39 -2.12 0.00 0.00 175.29 174.43 1a5r n GLU 93 N 4.67 1.16 -3.95 2.91 -0.58 -0.63 -4.77 120.64 119.44 1a5r n GLU 93 Ca -0.09 -0.42 -0.30 0.00 -0.42 0.00 0.00 57.16 55.92 1a5r n GLU 93 Cb 0.51 -1.38 -0.14 0.00 -0.57 0.00 0.00 31.44 29.86 1a5r n GLU 93 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1a5r s GLN 94 N -2.49 1.93 0.00 3.49 -1.52 -1.25 -4.88 119.66 114.94 1a5r s GLN 94 Ca 0.11 -2.51 0.23 0.00 -1.95 0.00 0.00 55.36 51.24 1a5r s GLN 94 Cb 0.15 -3.32 0.60 0.00 -0.22 0.00 0.00 33.01 30.22 1a5r s GLN 94 CO 0.63 -1.09 1.51 0.25 -0.25 0.00 0.00 175.29 176.35 1a5r n THR 95 N 3.29 0.88 0.00 -0.19 -2.24 -1.26 -4.96 114.28 109.79 1a5r n THR 95 Ca 0.05 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1a5r n THR 95 Cb 0.34 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.65 -0.84 0.33 3.38 0.00 -1.26 -5.19 105.19 103.26 1a5r n GLY 96 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.90 0.00 -0.02 0.00 -1.26 -5.00 105.19 100.81 1a5r n GLY 97 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.08 1a5r n GLY 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1a5r n HIS 98 N -0.05 0.00 -1.53 1.61 1.44 -1.26 -4.77 115.22 110.66 1a5r n HIS 98 Ca -0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.39 1a5r n HIS 98 Cb 0.05 -0.50 0.06 0.00 0.12 0.00 0.00 29.99 29.72 1a5r n HIS 98 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1a5r s SER 99 N -3.00 5.07 0.24 4.39 1.04 -1.26 -4.93 113.70 115.25 1a5r s SER 99 Ca 0.09 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.22 1a5r s SER 99 Cb 0.12 -2.52 0.25 0.00 0.10 0.00 0.00 66.02 63.97 1a5r s SER 99 CO 0.33 -1.65 1.89 0.74 0.98 0.00 0.00 173.24 175.52 1a5r h THR 100 N -0.64 1.26 0.00 2.02 2.02 -2.05 -3.52 112.91 112.00 1a5r h THR 100 Ca -0.44 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1a5r h THR 100 Cb 1.22 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1a5r h THR 100 CO 0.54 0.27 0.00 1.33 0.37 0.00 0.00 175.52 178.04