#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 -0.62 1.61 4.64 -2.01 -2.70 113.55 114.47 1a5r h SER 0 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1a5r h SER 0 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1a5r h SER 0 CO 0.00 0.11 0.41 0.24 -0.87 0.00 0.00 176.83 176.72 1a5r h MET 1 N 0.00 0.78 -6.29 4.77 2.86 -2.04 -3.40 114.93 111.61 1a5r h MET 1 Ca -0.00 -0.05 -0.65 0.00 -2.06 0.00 0.00 59.70 56.94 1a5r h MET 1 Cb 0.47 -0.18 -0.12 0.00 0.06 0.00 0.00 31.60 31.83 1a5r h MET 1 CO 0.01 0.51 -0.65 -1.12 1.06 0.00 0.00 176.91 176.73 1a5r s SER 2 N -6.46 5.11 -0.00 1.22 0.01 -1.02 -4.99 113.70 107.57 1a5r s SER 2 Ca -0.10 -0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.11 1a5r s SER 2 Cb 0.18 -1.26 0.20 0.00 0.21 0.00 0.00 66.02 65.35 1a5r s SER 2 CO 0.76 0.20 1.17 -0.90 0.41 0.00 0.00 173.24 174.87 1a5r n ASP 3 N 0.72 1.23 -4.04 2.44 5.68 -1.26 -4.84 116.55 116.48 1a5r n ASP 3 Ca -0.11 -2.00 -0.07 0.00 -0.50 0.00 0.00 54.79 52.10 1a5r n ASP 3 Cb 0.52 -0.16 -0.09 0.00 -1.14 0.00 0.00 41.12 40.25 1a5r n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a5r s GLN 4 N -1.69 0.65 0.26 0.11 -2.07 -1.26 -5.04 119.66 110.62 1a5r s GLN 4 Ca 0.15 -1.16 -0.01 0.00 -1.82 0.00 0.00 55.36 52.53 1a5r s GLN 4 Cb 0.08 0.24 0.34 0.00 -1.09 0.00 0.00 33.01 32.58 1a5r s GLN 4 CO 0.10 -0.14 1.74 0.93 -1.32 0.00 0.00 175.29 176.60 1a5r h GLU 5 N 3.09 0.70 -7.33 9.60 4.39 -1.92 -3.44 114.58 119.67 1a5r h GLU 5 Ca -0.34 -0.22 -0.50 0.00 0.34 0.00 0.00 59.36 58.64 1a5r h GLU 5 Cb 1.15 -0.07 0.13 0.00 -0.10 0.00 0.00 28.75 29.87 1a5r h GLU 5 CO 0.64 0.78 0.30 0.00 -1.16 0.00 0.00 179.01 179.57 1a5r s ALA 6 N -4.81 2.03 0.04 3.43 0.00 -1.26 -5.07 121.76 116.12 1a5r s ALA 6 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1a5r s ALA 6 Cb 0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1a5r s ALA 6 CO 0.81 -1.94 -0.03 -1.59 0.00 0.00 0.00 175.76 173.01 1a5r s LYS 7 N -4.94 0.49 -1.03 0.00 -2.85 -1.26 -4.96 119.74 105.18 1a5r s LYS 7 Ca 0.62 -0.97 -0.26 0.00 -1.00 0.00 0.00 55.97 54.36 1a5r s LYS 7 Cb -0.17 0.16 -0.22 0.00 -2.06 0.00 0.00 37.83 35.54 1a5r s LYS 7 CO 0.56 -0.08 2.12 -2.30 0.10 0.00 0.00 175.35 175.75 1a5r n PRO 8 N 0.73 0.13 0.28 1.78 -0.01 -1.26 -4.70 135.00 131.96 1a5r n PRO 8 Ca -0.18 -1.58 0.13 0.00 -0.01 0.00 0.00 63.50 61.85 1a5r n PRO 8 Cb 0.58 -3.86 0.82 0.00 -0.01 0.00 0.00 33.50 31.03 1a5r n PRO 8 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1a5r h SER 9 N 11.73 0.00 -0.70 2.55 4.64 -1.97 -2.52 113.55 127.29 1a5r h SER 9 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1a5r h SER 9 Cb 1.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1a5r h SER 9 CO 1.00 0.02 0.43 0.74 -0.87 0.00 0.00 176.83 178.15 1a5r h THR 10 N 0.00 1.08 -0.64 2.95 2.02 -1.95 -2.31 112.91 114.05 1a5r h THR 10 Ca -0.00 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1a5r h THR 10 Cb 0.04 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1a5r h THR 10 CO 0.00 0.15 0.42 -0.08 0.37 0.00 0.00 175.52 176.38 1a5r h GLU 11 N 0.84 0.82 -6.47 6.66 4.81 -1.84 -3.20 114.58 116.20 1a5r h GLU 11 Ca 0.28 -0.05 -0.53 0.00 -0.13 0.00 0.00 59.36 58.93 1a5r h GLU 11 Cb 0.04 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1a5r h GLU 11 CO -0.12 0.54 0.46 0.34 -0.73 0.00 0.00 179.01 179.50 1a5r s ASP 12 N -5.76 7.25 -1.42 1.04 2.15 -0.87 -3.53 116.67 115.53 1a5r s ASP 12 Ca -0.13 1.85 -0.09 0.00 0.43 0.00 0.00 52.55 54.61 1a5r s ASP 12 Cb 0.14 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.22 1a5r s ASP 12 CO 0.76 -0.33 1.00 0.18 -0.17 0.00 0.00 175.17 176.61 1a5r n LEU 13 N 3.68 -2.99 -4.12 -1.34 4.77 -1.26 -4.92 117.00 110.82 1a5r n LEU 13 Ca 0.07 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 54.97 1a5r n LEU 13 Cb 0.49 -2.75 -0.06 0.00 -2.33 0.00 0.00 43.42 38.76 1a5r n LEU 13 CO 0.54 0.51 0.34 -0.83 -1.33 0.00 0.00 177.39 176.61 1a5r s GLY 14 N -3.57 3.03 0.19 -0.72 0.00 -1.21 -4.88 107.32 100.16 1a5r s GLY 14 Ca 0.48 -3.79 -0.10 0.00 0.00 0.00 0.00 44.72 41.32 1a5r s GLY 14 CO 0.79 1.19 1.75 -1.80 0.00 0.00 0.00 173.10 175.04 1a5r h ASP 15 N 6.14 0.96 -2.01 1.64 1.82 -1.91 -3.46 116.42 119.60 1a5r h ASP 15 Ca 0.15 -0.17 -0.38 0.00 -0.39 0.00 0.00 57.03 56.23 1a5r h ASP 15 Cb 0.83 -0.25 -0.09 0.00 0.68 0.00 0.00 39.33 40.50 1a5r h ASP 15 CO 0.85 0.87 -0.40 0.29 -1.61 0.00 0.00 179.24 179.24 1a5r n LYS 16 N -4.37 -1.59 -3.96 0.28 5.02 -1.26 -4.94 118.16 107.34 1a5r n LYS 16 Ca 0.05 1.02 -0.14 0.00 -2.02 0.00 0.00 58.31 57.22 1a5r n LYS 16 Cb 0.18 -5.49 -0.14 0.00 -0.02 0.00 0.00 35.03 29.55 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 -4.20 0.15 0.20 1.97 2.20 -1.26 -5.03 119.74 113.77 1a5r s LYS 17 Ca 0.00 -0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.47 1a5r s LYS 17 Cb 0.00 -0.18 0.14 0.00 -1.51 0.00 0.00 37.83 36.29 1a5r s LYS 17 CO 0.00 0.02 1.83 1.49 -0.36 0.00 0.00 175.35 178.32 1a5r h GLU 18 N 6.25 1.01 0.00 4.03 4.81 -2.03 -3.43 114.58 125.22 1a5r h GLU 18 Ca -0.28 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 1a5r h GLU 18 Cb 1.19 -0.20 0.03 0.00 0.63 0.00 0.00 28.75 30.41 1a5r h GLU 18 CO 0.50 0.74 0.07 0.41 -0.73 0.00 0.00 179.01 180.00 1a5r n GLY 19 N -1.12 0.07 2.58 1.92 0.00 -1.26 -5.05 105.19 102.33 1a5r n GLY 19 Ca 0.06 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 1a5r n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a5r n GLU 20 N -1.66 1.95 -3.98 1.61 0.00 -1.26 -5.01 120.64 112.30 1a5r n GLU 20 Ca 0.05 -3.73 -0.35 0.00 0.00 0.00 0.00 57.16 53.12 1a5r n GLU 20 Cb 0.18 -1.64 -0.08 0.00 0.00 0.00 0.00 31.44 29.89 1a5r n GLU 20 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1a5r s TYR 21 N -3.22 3.37 0.29 -1.84 2.02 -1.26 -3.60 117.35 113.12 1a5r s TYR 21 Ca 0.36 0.28 0.10 0.00 -0.37 0.00 0.00 57.07 57.44 1a5r s TYR 21 Cb 0.43 -2.00 -0.06 0.00 -0.40 0.00 0.00 41.96 39.93 1a5r s TYR 21 CO -0.05 0.41 -0.15 0.96 -1.57 0.00 0.00 175.55 175.16 1a5r s ILE 22 N -0.28 2.26 -0.45 2.71 -4.36 0.05 -4.68 121.20 116.45 1a5r s ILE 22 Ca 0.09 -2.30 -0.16 0.00 -0.26 0.00 0.00 60.65 58.03 1a5r s ILE 22 Cb -0.12 -2.40 0.05 0.00 1.25 0.00 0.00 42.46 41.24 1a5r s ILE 22 CO 0.01 -0.34 0.39 -0.75 0.24 0.00 0.00 174.94 174.48 1a5r s LYS 23 N -3.57 3.00 -0.08 0.37 2.20 0.31 -0.90 119.74 121.06 1a5r s LYS 23 Ca 0.30 -1.15 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 1a5r s LYS 23 Cb -0.01 -4.06 -0.01 0.00 -1.51 0.00 0.00 37.83 32.23 1a5r s LYS 23 CO 0.14 -0.94 -0.20 -1.17 -0.36 0.00 0.00 175.35 172.83 1a5r s LEU 24 N 1.78 2.37 -0.05 5.43 0.20 0.14 -0.39 118.68 128.16 1a5r s LEU 24 Ca 0.06 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.50 1a5r s LEU 24 Cb -0.21 -1.48 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 1a5r s LEU 24 CO 0.09 0.22 -0.14 -1.59 -0.29 0.00 0.00 176.35 174.64 1a5r s LYS 25 N -0.03 1.62 0.00 1.98 -2.85 -0.64 -2.61 119.74 117.22 1a5r s LYS 25 Ca -0.06 -0.49 0.06 0.00 -1.00 0.00 0.00 55.97 54.49 1a5r s LYS 25 Cb -0.15 -1.39 -0.02 0.00 -2.06 0.00 0.00 37.83 34.22 1a5r s LYS 25 CO 0.05 0.14 -0.19 0.14 0.10 0.00 0.00 175.35 175.58 1a5r s VAL 26 N 0.30 1.54 0.14 1.79 -7.23 -0.50 -2.41 120.40 114.03 1a5r s VAL 26 Ca -0.08 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1a5r s VAL 26 Cb -0.13 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1a5r s VAL 26 CO 0.03 0.34 -0.17 0.27 -0.31 0.00 0.00 175.10 175.25 1a5r s ILE 27 N -0.57 1.64 0.08 -0.62 -4.36 -0.65 -1.48 121.20 115.23 1a5r s ILE 27 Ca 0.07 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 1a5r s ILE 27 Cb -0.08 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 1a5r s ILE 27 CO 0.00 -0.29 -0.10 -0.83 0.24 0.00 0.00 174.94 173.96 1a5r s GLY 28 N -2.42 0.75 0.00 6.27 0.00 -0.60 0.52 107.32 111.85 1a5r s GLY 28 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1a5r s GLY 28 CO 0.05 -1.11 0.87 -0.18 0.00 0.00 0.00 173.10 172.73 1a5r n GLN 29 N 0.89 0.00 -0.08 2.90 -0.06 -1.12 -1.34 117.38 118.57 1a5r n GLN 29 Ca -0.18 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 1a5r n GLN 29 Cb 0.56 -1.63 0.03 0.00 -4.06 0.00 0.00 30.24 25.15 1a5r n GLN 29 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1a5r n ASP 30 N -1.37 1.49 -3.05 1.69 5.75 -1.26 -4.79 116.55 115.00 1a5r n ASP 30 Ca -0.00 -2.08 -0.20 0.00 -0.01 0.00 0.00 54.79 52.50 1a5r n ASP 30 Cb 0.13 -0.52 0.07 0.00 -1.03 0.00 0.00 41.12 39.77 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 0.07 -5.59 -4.45 -1.12 7.64 -0.45 -5.00 113.62 104.72 1a5r n SER 31 Ca 0.02 -0.44 -0.33 0.00 1.01 0.00 0.00 58.87 59.13 1a5r n SER 31 Cb 0.34 -4.23 -0.13 0.00 -1.01 0.00 0.00 64.21 59.18 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 -3.27 4.00 -0.03 6.43 1.04 -1.09 -4.98 113.70 115.80 1a5r s SER 32 Ca 0.48 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1a5r s SER 32 Cb -0.21 -1.02 0.03 0.00 0.10 0.00 0.00 66.02 64.92 1a5r s SER 32 CO 0.60 0.30 0.04 -0.70 0.98 0.00 0.00 173.24 174.47 1a5r s GLU 33 N -0.47 -0.05 -0.13 4.02 2.12 -1.26 -1.56 118.70 121.36 1a5r s GLU 33 Ca 0.06 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1a5r s GLU 33 Cb -0.12 -0.34 0.02 0.00 0.26 0.00 0.00 34.13 33.95 1a5r s GLU 33 CO 0.02 -0.23 -0.15 0.42 -0.54 0.00 0.00 175.26 174.78 1a5r s ILE 34 N 1.47 1.55 -0.25 -3.70 -1.09 -0.55 -4.99 121.20 113.64 1a5r s ILE 34 Ca -0.04 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1a5r s ILE 34 Cb -0.13 -1.44 0.05 0.00 -1.58 0.00 0.00 42.46 39.36 1a5r s ILE 34 CO -0.03 0.45 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.02 1a5r s HIS 35 N 1.30 3.19 0.34 3.97 3.76 -1.26 -1.41 115.29 125.18 1a5r s HIS 35 Ca 0.01 -2.18 -0.17 0.00 -0.15 0.00 0.00 55.06 52.56 1a5r s HIS 35 Cb -0.14 -1.94 0.06 0.00 1.11 0.00 0.00 32.58 31.68 1a5r s HIS 35 CO -0.07 -0.86 0.85 -0.59 -0.85 0.00 0.00 174.74 173.22 1a5r s PHE 36 N 1.14 0.12 0.05 1.40 -0.71 -1.07 -5.00 117.98 113.90 1a5r s PHE 36 Ca -0.06 -0.74 0.08 0.00 -1.04 0.00 0.00 56.93 55.17 1a5r s PHE 36 Cb -0.19 0.81 -0.03 0.00 -1.21 0.00 0.00 43.02 42.41 1a5r s PHE 36 CO -0.06 -1.43 -0.24 0.15 -1.34 0.00 0.00 175.22 172.30 1a5r s LYS 37 N -2.21 1.61 0.00 1.99 1.02 -1.25 0.27 119.74 121.16 1a5r s LYS 37 Ca 0.17 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1a5r s LYS 37 Cb -0.04 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1a5r s LYS 37 CO 0.10 0.45 0.00 0.28 -0.92 0.00 0.00 175.35 175.26 1a5r n VAL 38 N 1.78 0.00 -4.41 3.17 0.31 -0.08 -4.83 118.33 114.27 1a5r n VAL 38 Ca -0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 1a5r n VAL 38 Cb 0.53 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.34 1a5r n VAL 38 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a5r s LYS 39 N 1.14 1.89 -0.57 5.55 1.02 -1.26 -0.77 119.74 126.74 1a5r s LYS 39 Ca 0.00 -1.11 0.05 0.00 0.02 0.00 0.00 55.97 54.93 1a5r s LYS 39 Cb 0.00 -2.15 0.19 0.00 -0.52 0.00 0.00 37.83 35.35 1a5r s LYS 39 CO 0.00 0.50 0.48 -1.33 -0.92 0.00 0.00 175.35 174.08 1a5r n MET 40 N 1.02 1.27 -0.00 1.68 2.81 -1.24 -4.64 117.12 118.02 1a5r n MET 40 Ca -0.16 -3.96 0.06 0.00 -1.81 0.00 0.00 57.70 51.83 1a5r n MET 40 Cb 0.52 -1.98 -0.09 0.00 -0.71 0.00 0.00 33.22 30.97 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 2.06 0.00 0.00 2.03 -1.04 -1.26 -4.88 114.28 111.18 1a5r n THR 41 Ca 0.25 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1a5r n THR 41 Cb 0.42 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 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 -1.68 0.00 -4.06 12.58 -2.24 -1.26 -5.15 114.28 112.46 1a5r n THR 42 Ca -0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1a5r n THR 42 Cb 0.27 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.00 0.86 -1.68 4.78 3.76 -1.26 -4.47 115.29 117.28 1a5r s HIS 43 Ca 0.00 -1.15 0.12 0.00 -0.15 0.00 0.00 55.06 53.88 1a5r s HIS 43 Cb 0.00 -0.01 0.65 0.00 1.11 0.00 0.00 32.58 34.33 1a5r s HIS 43 CO 0.00 -1.09 1.23 1.47 -0.85 0.00 0.00 174.74 175.50 1a5r n LEU 44 N -0.50 0.00 -0.31 0.89 -0.00 -1.26 -2.93 117.00 112.89 1a5r n LEU 44 Ca -0.00 0.16 0.06 0.00 -0.00 0.00 0.00 56.01 56.23 1a5r n LEU 44 Cb 0.62 -0.16 0.21 0.00 -0.00 0.00 0.00 43.42 44.09 1a5r n LEU 44 CO 0.28 -0.10 1.15 0.50 -0.00 0.00 0.00 177.39 179.22 1a5r h LYS 45 N 0.00 0.75 -0.44 1.47 3.64 -1.90 -1.43 116.57 118.67 1a5r h LYS 45 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1a5r h LYS 45 Cb 0.06 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1a5r h LYS 45 CO 0.00 0.49 0.25 0.87 -2.27 0.00 0.00 179.45 178.79 1a5r h LYS 46 N 0.77 0.60 -0.12 1.90 1.57 -1.87 1.76 116.57 121.17 1a5r h LYS 46 Ca 0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1a5r h LYS 46 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1a5r h LYS 46 CO -0.30 0.46 0.08 1.25 -0.57 0.00 0.00 179.45 180.38 1a5r h LEU 47 N 0.57 0.14 0.09 2.94 7.12 -1.51 -2.60 115.31 122.07 1a5r h LEU 47 Ca 0.15 -0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.84 1a5r h LEU 47 Cb 0.03 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 1a5r h LEU 47 CO -0.03 0.10 -1.72 0.07 -0.13 0.00 0.00 178.44 176.74 1a5r h LYS 48 N 0.17 0.20 -0.72 1.25 2.10 -1.28 -2.82 116.57 115.47 1a5r h LYS 48 Ca 0.05 -0.34 0.08 0.00 -2.00 0.00 0.00 60.65 58.44 1a5r h LYS 48 Cb -0.02 0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 31.37 1a5r h LYS 48 CO -0.01 1.00 0.38 1.05 -2.00 0.00 0.00 179.45 179.87 1a5r h GLU 49 N 0.05 0.65 -0.44 0.07 4.11 0.27 2.25 114.58 121.53 1a5r h GLU 49 Ca -0.31 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 58.94 1a5r h GLU 49 Cb 2.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1a5r h GLU 49 CO 0.12 0.43 -0.28 0.77 0.07 0.00 0.00 179.01 180.11 1a5r h SER 50 N 0.67 1.01 0.48 3.06 0.02 -1.59 -2.39 113.55 114.81 1a5r h SER 50 Ca 0.34 -0.42 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1a5r h SER 50 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1a5r h SER 50 CO -0.23 1.22 -0.25 0.22 -1.14 0.00 0.00 176.83 176.64 1a5r h TYR 51 N 0.82 0.00 0.14 3.45 5.03 -0.68 -1.80 116.97 123.94 1a5r h TYR 51 Ca 0.09 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1a5r h TYR 51 Cb 0.87 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.15 1a5r h TYR 51 CO 0.06 0.25 -0.07 0.00 -1.32 0.00 0.00 178.16 177.08 1a5r h GLN 53 N -0.47 1.14 -0.80 0.00 4.20 -1.53 3.12 115.11 120.77 1a5r h GLN 53 Ca -0.02 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1a5r h GLN 53 Cb 0.15 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1a5r h GLN 53 CO 0.03 0.88 0.52 -0.09 -0.67 0.00 0.00 178.83 179.50 1a5r h ARG 54 N 1.13 1.05 0.00 1.46 2.43 -1.46 -3.33 114.38 115.66 1a5r h ARG 54 Ca 0.27 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1a5r h ARG 54 Cb 0.11 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1a5r h ARG 54 CO -0.03 0.70 -1.30 1.04 -1.51 0.00 0.00 179.97 178.87 1a5r n GLN 55 N -4.41 3.21 0.00 0.20 6.02 -1.06 -5.07 117.38 116.26 1a5r n GLN 55 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1a5r n GLN 55 Cb 0.03 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 2.74 2.22 3.69 1.08 0.00 1.03 -5.05 105.19 110.89 1a5r n GLY 56 Ca -0.07 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1a5r n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5r s VAL 57 N 0.00 3.02 0.11 1.61 0.11 -0.39 -4.45 120.40 120.40 1a5r s VAL 57 Ca 0.00 0.49 0.32 0.00 -2.93 0.00 0.00 61.98 59.87 1a5r s VAL 57 Cb 0.00 -3.32 0.34 0.00 -1.53 0.00 0.00 36.38 31.87 1a5r s VAL 57 CO 0.00 0.00 1.98 1.55 -3.33 0.00 0.00 175.10 175.30 1a5r h PRO 58 N 8.20 0.00 -0.58 1.54 0.14 -1.85 -3.05 132.00 136.41 1a5r h PRO 58 Ca -0.43 0.00 0.17 0.00 0.14 0.00 0.00 66.00 65.88 1a5r h PRO 58 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.32 1a5r h PRO 58 CO 0.93 0.00 0.78 1.98 0.14 0.00 0.00 178.00 181.83 1a5r h MET 59 N 0.00 0.00 0.00 0.86 4.05 -1.89 -2.35 114.93 115.60 1a5r h MET 59 Ca 0.00 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.03 1a5r h MET 59 Cb 0.16 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 1a5r h MET 59 CO 0.00 0.00 -2.35 0.27 0.23 0.00 0.00 176.91 175.06 1a5r n ASN 60 N -3.34 1.90 0.00 1.39 0.23 -1.15 -4.95 115.26 109.34 1a5r n ASN 60 Ca 0.12 0.15 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1a5r n ASN 60 Cb 0.98 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1a5r n ASN 60 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1a5r n SER 61 N -3.77 0.00 -4.82 0.53 7.64 -0.89 -4.95 113.62 107.35 1a5r n SER 61 Ca -0.46 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.05 1a5r n SER 61 Cb 0.88 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.00 4.46 0.02 -3.43 1.02 -1.15 -1.92 118.68 117.66 1a5r s LEU 62 Ca 0.00 1.19 0.07 0.00 0.02 0.00 0.00 54.13 55.41 1a5r s LEU 62 Cb 0.00 -3.02 -0.02 0.00 0.02 0.00 0.00 46.19 43.17 1a5r s LEU 62 CO 0.00 0.21 -0.22 -0.60 0.02 0.00 0.00 176.35 175.77 1a5r s ARG 63 N -1.42 1.61 -0.18 1.70 3.52 -0.70 -4.40 118.95 119.08 1a5r s ARG 63 Ca 0.32 -0.88 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 1a5r s ARG 63 Cb -0.18 -1.65 -0.04 0.00 -1.56 0.00 0.00 34.95 31.53 1a5r s ARG 63 CO 0.19 0.44 0.06 -0.06 -0.81 0.00 0.00 175.30 175.11 1a5r s PHE 64 N -0.66 3.23 -0.16 5.12 0.08 -1.26 -1.39 117.98 122.94 1a5r s PHE 64 Ca 0.08 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.13 1a5r s PHE 64 Cb -0.09 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1a5r s PHE 64 CO 0.01 0.13 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.06 1a5r s LEU 65 N 0.41 3.31 0.00 -0.37 2.96 0.37 -2.64 118.68 122.72 1a5r s LEU 65 Ca 0.03 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1a5r s LEU 65 Cb -0.13 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1a5r s LEU 65 CO 0.00 0.17 0.00 0.33 -1.32 0.00 0.00 176.35 175.53 1a5r n PHE 66 N 3.55 0.00 -0.02 5.38 -0.00 -1.11 -0.27 117.46 124.98 1a5r n PHE 66 Ca -0.17 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 57.49 1a5r n PHE 66 Cb 0.52 0.00 0.70 0.00 -0.00 0.00 0.00 39.48 40.71 1a5r n PHE 66 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1a5r h GLU 67 N 0.00 0.00 0.00 -4.13 4.11 -1.88 -3.43 114.58 109.26 1a5r h GLU 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1a5r h GLU 67 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a5r h GLU 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1a5r n GLY 68 N -1.64 0.25 3.56 1.06 0.00 -1.26 -5.15 105.19 102.01 1a5r n GLY 68 Ca 0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1a5r n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a5r s GLN 69 N 0.00 1.90 0.08 1.61 -2.07 -1.26 -5.00 119.66 114.91 1a5r s GLN 69 Ca 0.00 -1.84 -0.32 0.00 -1.82 0.00 0.00 55.36 51.38 1a5r s GLN 69 Cb 0.00 -1.80 -0.11 0.00 -1.09 0.00 0.00 33.01 30.01 1a5r s GLN 69 CO 0.00 0.17 1.84 -2.13 -1.32 0.00 0.00 175.29 173.85 1a5r n ARG 70 N -0.82 2.63 -4.58 9.60 0.63 -1.26 -2.76 116.66 120.10 1a5r n ARG 70 Ca -0.05 0.96 -0.27 0.00 -0.92 0.00 0.00 57.85 57.57 1a5r n ARG 70 Cb 0.63 -2.84 -0.11 0.00 0.45 0.00 0.00 32.46 30.59 1a5r n ARG 70 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1a5r s ILE 71 N 3.06 2.09 0.00 5.15 -4.36 -1.08 -4.93 121.20 121.13 1a5r s ILE 71 Ca 0.85 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 1a5r s ILE 71 Cb -0.53 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.28 1a5r s ILE 71 CO 0.41 -0.06 0.00 0.00 0.24 0.00 0.00 174.94 175.53 1a5r n ALA 72 N -0.93 0.00 -2.66 2.27 0.00 -1.26 -4.86 120.51 113.07 1a5r n ALA 72 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1a5r n ALA 72 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 2.43 -0.25 0.00 5.68 -1.26 -4.81 116.55 118.35 1a5r n ASP 73 Ca 0.00 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.24 1a5r n ASP 73 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 -0.16 0.00 -3.23 -1.12 2.04 -1.26 -4.03 115.26 107.50 1a5r n ASN 74 Ca 0.19 -1.44 -0.26 0.00 -0.44 0.00 0.00 54.58 52.63 1a5r n ASN 74 Cb 0.75 -0.09 -0.06 0.00 -2.53 0.00 0.00 39.78 37.85 1a5r n ASN 74 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a5r n HIS 75 N 0.00 2.86 -0.20 -2.53 1.44 -1.26 -4.91 115.22 110.62 1a5r n HIS 75 Ca 0.00 -4.00 -0.06 0.00 -2.01 0.00 0.00 57.72 51.65 1a5r n HIS 75 Cb 0.59 -0.50 0.03 0.00 0.12 0.00 0.00 29.99 30.24 1a5r n HIS 75 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1a5r h THR 76 N 2.75 1.15 -0.11 0.61 2.02 -1.91 -2.74 112.91 114.69 1a5r h THR 76 Ca 0.15 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1a5r h THR 76 Cb 0.68 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1a5r h THR 76 CO 0.75 0.15 -0.27 -0.65 0.37 0.00 0.00 175.52 175.87 1a5r h PRO 77 N 0.79 0.20 0.00 6.66 0.11 -1.91 -1.18 132.00 136.67 1a5r h PRO 77 Ca 0.21 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1a5r h PRO 77 Cb -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1a5r h PRO 77 CO -0.05 0.46 0.00 1.17 -0.21 0.00 0.00 178.00 179.37 1a5r n LYS 78 N -4.16 0.00 -0.16 1.05 4.81 -1.03 -4.41 118.16 114.26 1a5r n LYS 78 Ca -0.01 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.48 1a5r n LYS 78 Cb 0.36 -0.77 0.12 0.00 0.02 0.00 0.00 35.03 34.76 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 -0.27 2.80 -0.52 1.64 -0.58 -1.25 -4.50 120.64 117.96 1a5r n GLU 79 Ca 0.00 -2.04 0.08 0.00 -0.42 0.00 0.00 57.16 54.78 1a5r n GLU 79 Cb 0.00 -1.29 0.29 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.08 4.27 0.00 -4.62 4.32 -0.54 -4.54 117.00 115.81 1a5r n LEU 80 Ca 0.10 -2.68 0.01 0.00 -0.02 0.00 0.00 56.01 53.42 1a5r n LEU 80 Cb 0.46 -0.52 0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1a5r n LEU 80 CO 0.06 0.71 0.46 0.61 -1.22 0.00 0.00 177.39 178.01 1a5r n GLY 81 N 0.29 -0.41 3.62 -0.72 0.00 -0.63 -4.54 105.19 102.80 1a5r n GLY 81 Ca 0.22 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.73 3.96 -0.09 1.61 -1.94 -1.26 -4.87 119.30 113.97 1a5r s MET 82 Ca 0.01 0.85 0.15 0.00 -1.71 0.00 0.00 55.69 54.98 1a5r s MET 82 Cb 0.01 -3.78 0.50 0.00 2.01 0.00 0.00 34.83 33.57 1a5r s MET 82 CO 0.02 -0.96 1.42 -0.85 -0.01 0.00 0.00 175.02 174.63 1a5r n GLU 83 N 6.93 3.13 0.00 2.03 0.28 -1.26 -4.58 120.64 127.17 1a5r n GLU 83 Ca 0.10 -2.54 0.00 0.00 -0.16 0.00 0.00 57.16 54.56 1a5r n GLU 83 Cb 0.48 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1a5r n GLU 83 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1a5r n GLU 84 N 0.37 0.89 -3.76 3.44 1.02 -1.26 -3.71 120.64 117.62 1a5r n GLU 84 Ca 0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.20 1a5r n GLU 84 Cb 0.71 -0.62 -0.14 0.00 -0.02 0.00 0.00 31.44 31.36 1a5r n GLU 84 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1a5r s GLU 85 N -1.25 0.14 0.06 3.49 2.12 -1.25 0.12 118.70 122.12 1a5r s GLU 85 Ca 0.00 0.36 -0.09 0.00 0.36 0.00 0.00 54.97 55.61 1a5r s GLU 85 Cb 0.00 -0.10 -0.00 0.00 0.26 0.00 0.00 34.13 34.29 1a5r s GLU 85 CO 0.00 -0.13 0.18 0.34 -0.54 0.00 0.00 175.26 175.11 1a5r s ASP 86 N 0.92 0.10 -0.03 -1.70 -1.08 0.48 -4.78 116.67 110.58 1a5r s ASP 86 Ca -0.07 -0.53 -0.01 0.00 -0.52 0.00 0.00 52.55 51.42 1a5r s ASP 86 Cb -0.09 0.31 0.03 0.00 -1.46 0.00 0.00 42.92 41.71 1a5r s ASP 86 CO -0.05 -0.64 0.05 0.54 0.52 0.00 0.00 175.17 175.60 1a5r s VAL 87 N -3.23 -0.07 -0.02 1.11 0.11 -1.26 -1.62 120.40 115.42 1a5r s VAL 87 Ca 0.00 0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 1a5r s VAL 87 Cb 0.02 -0.12 -0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1a5r s VAL 87 CO -0.07 0.10 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.04 1a5r s ILE 88 N 1.23 0.98 -0.13 7.04 1.09 -1.01 -4.62 121.20 125.78 1a5r s ILE 88 Ca -0.07 -0.49 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 1a5r s ILE 88 Cb -0.13 -0.84 -0.03 0.00 -1.06 0.00 0.00 42.46 40.40 1a5r s ILE 88 CO -0.04 0.29 -0.04 -1.61 -0.10 0.00 0.00 174.94 173.44 1a5r s GLU 89 N -0.03 3.37 -0.11 2.79 2.02 0.62 -1.64 118.70 125.73 1a5r s GLU 89 Ca -0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1a5r s GLU 89 Cb -0.08 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 1a5r s GLU 89 CO 0.00 0.40 -0.11 0.14 0.02 0.00 0.00 175.26 175.71 1a5r s VAL 90 N -0.06 3.25 -0.44 2.63 -7.23 0.19 0.14 120.40 118.88 1a5r s VAL 90 Ca 0.02 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.44 1a5r s VAL 90 Cb -0.13 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.51 1a5r s VAL 90 CO 0.03 0.54 0.32 -0.31 -0.31 0.00 0.00 175.10 175.37 1a5r s TYR 91 N -0.02 3.26 0.10 2.82 2.02 -0.49 -2.77 117.35 122.26 1a5r s TYR 91 Ca -0.02 -0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 55.71 1a5r s TYR 91 Cb -0.14 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.48 1a5r s TYR 91 CO 0.04 -0.74 0.27 -0.65 -1.57 0.00 0.00 175.55 172.90 1a5r s GLN 92 N 1.60 3.50 -0.19 -0.62 -0.21 -1.26 -1.71 119.66 120.77 1a5r s GLN 92 Ca 0.04 -0.32 0.13 0.00 0.02 0.00 0.00 55.36 55.22 1a5r s GLN 92 Cb -0.22 -2.97 -0.23 0.00 1.00 0.00 0.00 33.01 30.59 1a5r s GLN 92 CO 0.07 0.55 0.08 -1.91 -2.12 0.00 0.00 175.29 171.96 1a5r n GLU 93 N 0.16 0.68 -4.23 2.91 2.13 -0.81 -4.88 120.64 116.60 1a5r n GLU 93 Ca -0.04 0.07 -0.34 0.00 0.66 0.00 0.00 57.16 57.51 1a5r n GLU 93 Cb 0.51 -1.56 -0.13 0.00 0.27 0.00 0.00 31.44 30.53 1a5r n GLU 93 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1a5r s GLN 94 N -2.51 3.51 0.00 5.31 -0.21 -1.26 -4.96 119.66 119.54 1a5r s GLN 94 Ca -0.16 -0.58 0.15 0.00 0.02 0.00 0.00 55.36 54.79 1a5r s GLN 94 Cb 0.07 -2.93 0.36 0.00 1.00 0.00 0.00 33.01 31.51 1a5r s GLN 94 CO 0.77 0.04 1.28 0.25 -2.12 0.00 0.00 175.29 175.51 1a5r n THR 95 N 4.11 0.76 -1.78 -0.19 -2.24 -1.26 -5.00 114.28 108.68 1a5r n THR 95 Ca -0.18 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1a5r n THR 95 Cb 0.52 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.94 3.90 0.00 3.38 0.00 -1.26 -5.10 105.19 107.04 1a5r n GLY 96 Ca 0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.51 0.12 -0.02 0.00 -1.26 -4.76 105.19 99.78 1a5r n GLY 97 Ca 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 0.51 -1.63 1.61 1.44 -1.26 -4.72 115.22 111.17 1a5r n HIS 98 Ca 0.00 0.27 -0.36 0.00 -2.01 0.00 0.00 57.72 55.61 1a5r n HIS 98 Cb 0.00 -0.90 0.08 0.00 0.12 0.00 0.00 29.99 29.29 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 -3.68 4.41 0.00 4.39 1.04 -1.26 -4.92 113.70 113.68 1a5r s SER 99 Ca -0.02 2.59 0.26 0.00 0.48 0.00 0.00 55.95 59.26 1a5r s SER 99 Cb 0.04 -2.61 0.63 0.00 0.10 0.00 0.00 66.02 64.18 1a5r s SER 99 CO 0.14 -2.13 1.51 0.35 0.98 0.00 0.00 173.24 174.08 1a5r n THR 100 N -2.14 0.04 0.00 2.02 -2.24 -1.26 -4.72 114.28 105.97 1a5r n THR 100 Ca 0.16 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1a5r n THR 100 Cb 0.48 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1a5r n THR 100 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05