#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8g s GLU 2 N 0.00 2.35 -0.53 2.12 0.41 -0.33 -4.92 118.70 117.80 1p8g s GLU 2 Ca 0.00 -1.27 -0.27 0.00 -0.41 0.00 0.00 54.97 53.02 1p8g s GLU 2 Cb 0.00 -2.87 -0.02 0.00 -1.78 0.00 0.00 34.13 29.46 1p8g s GLU 2 CO 0.00 -0.52 1.85 1.14 -0.49 0.00 0.00 175.26 177.24 1p8g s GLN 3 N 1.14 2.81 0.31 1.61 0.00 -1.26 -2.17 119.66 122.09 1p8g s GLN 3 Ca -0.07 0.85 0.04 0.00 -0.00 0.00 0.00 55.36 56.18 1p8g s GLN 3 Cb -0.19 -4.34 -0.06 0.00 0.00 0.00 0.00 33.01 28.42 1p8g s GLN 3 CO -0.06 -2.51 0.05 0.15 0.00 0.00 0.00 175.29 172.92 1p8g s LYS 4 N 6.69 1.62 -0.28 9.60 1.02 -0.03 -4.94 119.74 133.42 1p8g s LYS 4 Ca 0.71 -1.89 -0.05 0.00 0.02 0.00 0.00 55.97 54.76 1p8g s LYS 4 Cb -0.15 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.32 1p8g s LYS 4 CO 0.24 -0.17 0.03 0.99 -0.92 0.00 0.00 175.35 175.53 1p8g s THR 5 N -3.30 3.64 -0.53 2.17 2.01 -1.26 -0.45 115.64 117.92 1p8g s THR 5 Ca 0.36 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 1p8g s THR 5 Cb 0.08 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.77 1p8g s THR 5 CO 0.15 0.13 1.04 -0.22 -0.69 0.00 0.00 174.62 175.03 1p8g s LEU 6 N 1.45 3.82 -0.12 4.42 2.96 -1.25 -0.61 118.68 129.35 1p8g s LEU 6 Ca 0.02 -0.01 -0.32 0.00 -0.22 0.00 0.00 54.13 53.59 1p8g s LEU 6 Cb -0.17 -3.10 -0.10 0.00 0.50 0.00 0.00 46.19 43.33 1p8g s LEU 6 CO 0.00 -1.27 2.00 1.67 -1.32 0.00 0.00 176.35 177.43 1p8g n GLN 7 N 7.75 2.15 -4.10 1.98 0.00 0.63 -4.44 117.38 121.35 1p8g n GLN 7 Ca 0.06 0.74 -0.33 0.00 -0.00 0.00 0.00 57.00 57.47 1p8g n GLN 7 Cb 0.48 -2.80 -0.16 0.00 0.00 0.00 0.00 30.24 27.77 1p8g n GLN 7 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1p8g s VAL 8 N 5.30 2.18 -0.20 1.69 1.01 -1.26 -1.80 120.40 127.33 1p8g s VAL 8 Ca 0.96 -0.97 0.17 0.00 0.00 0.00 0.00 61.98 62.14 1p8g s VAL 8 Cb -0.60 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1p8g s VAL 8 CO 0.47 0.48 1.26 1.05 0.00 0.00 0.00 175.10 178.36 1p8g h GLU 9 N 7.94 0.00 0.00 2.72 9.09 -1.93 -3.45 114.58 128.95 1p8g h GLU 9 Ca -0.43 0.00 0.24 0.00 0.05 0.00 0.00 59.36 59.22 1p8g h GLU 9 Cb 1.13 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.17 1p8g h GLU 9 CO 0.62 0.32 -0.32 0.41 0.05 0.00 0.00 179.01 180.09 1p8g n GLY 10 N 1.25 -1.53 0.00 1.06 0.00 -1.26 -4.94 105.19 99.76 1p8g n GLY 10 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1p8g n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p8g n MET 11 N -3.39 0.00 -3.55 1.61 2.81 -1.26 -4.92 117.12 108.41 1p8g n MET 11 Ca 0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.88 1p8g n MET 11 Cb 0.41 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.94 1p8g n MET 11 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1p8g n SER 12 N -0.89 -1.41 -0.11 7.83 2.88 -1.26 -5.17 113.62 115.49 1p8g n SER 12 Ca 0.00 -1.69 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 1p8g n SER 12 Cb 0.00 2.28 0.00 0.00 -0.75 0.00 0.00 64.21 65.74 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8g s GLN 14 N 0.00 2.23 -1.02 0.00 1.11 -1.26 -4.67 119.66 116.04 1p8g s GLN 14 Ca 0.00 -1.82 0.00 0.00 0.01 0.00 0.00 55.36 53.55 1p8g s GLN 14 Cb 0.00 -2.46 0.00 0.00 -1.01 0.00 0.00 33.01 29.54 1p8g s GLN 14 CO 0.00 -0.87 0.00 0.72 0.01 0.00 0.00 175.29 175.15 1p8g n HIS 15 N -2.15 -0.24 -0.03 0.91 8.25 -1.26 -4.92 115.22 115.77 1p8g n HIS 15 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1p8g n HIS 15 Cb 0.63 -2.25 -0.01 0.00 1.12 0.00 0.00 29.99 29.48 1p8g n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p8g n VAL 17 N -3.43 -0.31 0.00 0.00 0.31 -1.26 0.01 118.33 113.65 1p8g n VAL 17 Ca -0.06 1.36 -0.01 0.00 -0.01 0.00 0.00 64.34 65.61 1p8g n VAL 17 Cb 0.22 -1.70 0.26 0.00 -0.91 0.00 0.00 33.84 31.71 1p8g n VAL 17 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1p8g h LYS 18 N 0.00 0.51 0.01 5.55 6.56 -1.97 -1.93 116.57 125.31 1p8g h LYS 18 Ca 0.07 -0.14 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1p8g h LYS 18 Cb 0.19 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1p8g h LYS 18 CO -0.43 0.61 -0.01 0.00 -2.06 0.00 0.00 179.45 177.57 1p8g h ALA 19 N 1.43 -0.02 -0.87 3.86 0.00 -0.60 0.28 119.26 123.35 1p8g h ALA 19 Ca 0.09 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1p8g h ALA 19 Cb 0.46 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1p8g h ALA 19 CO 0.03 -0.49 0.51 0.28 0.00 0.00 0.00 179.25 179.58 1p8g h VAL 20 N -0.05 0.92 0.36 0.00 2.07 -1.22 -0.85 116.25 117.48 1p8g h VAL 20 Ca -0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1p8g h VAL 20 Cb 0.05 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1p8g h VAL 20 CO 0.00 0.16 -0.17 -0.08 0.02 0.00 0.00 177.57 177.50 1p8g h GLU 21 N 0.86 -0.46 -0.87 1.57 4.81 -0.47 -1.33 114.58 118.69 1p8g h GLU 21 Ca 0.42 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.90 1p8g h GLU 21 Cb 0.37 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.70 1p8g h GLU 21 CO -0.24 -0.31 0.02 1.15 -0.73 0.00 0.00 179.01 178.90 1p8g h THR 22 N -0.54 0.19 -0.26 0.32 2.02 -0.46 0.41 112.91 114.59 1p8g h THR 22 Ca -0.05 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1p8g h THR 22 Cb 0.37 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1p8g h THR 22 CO 0.08 0.01 -0.07 0.28 0.37 0.00 0.00 175.52 176.19 1p8g h SER 23 N 0.07 0.51 0.51 4.18 0.02 -0.99 0.18 113.55 118.04 1p8g h SER 23 Ca 0.50 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1p8g h SER 23 Cb 0.96 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1p8g h SER 23 CO -0.79 0.77 -0.01 0.58 -1.14 0.00 0.00 176.83 176.24 1p8g h VAL 24 N 0.25 0.05 -0.62 2.27 2.07 -0.41 -3.12 116.25 116.74 1p8g h VAL 24 Ca 0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1p8g h VAL 24 Cb 0.55 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1p8g h VAL 24 CO 0.03 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1p8g n GLY 25 N -0.52 2.63 0.12 2.17 0.00 0.13 -4.19 105.19 105.54 1p8g n GLY 25 Ca -0.01 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1p8g n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p8g h GLU 26 N 3.95 0.18 -6.53 1.61 4.39 -1.17 -3.47 114.58 113.53 1p8g h GLU 26 Ca 0.00 -0.31 -0.52 0.00 0.34 0.00 0.00 59.36 58.86 1p8g h GLU 26 Cb 1.47 0.12 0.04 0.00 -0.10 0.00 0.00 28.75 30.28 1p8g h GLU 26 CO 0.26 1.15 1.10 -0.51 -1.16 0.00 0.00 179.01 179.84 1p8g s LEU 27 N -7.55 4.40 0.40 1.33 1.02 -1.26 -4.87 118.68 112.15 1p8g s LEU 27 Ca -0.22 2.78 0.17 0.00 0.02 0.00 0.00 54.13 56.87 1p8g s LEU 27 Cb 0.05 -3.57 1.06 0.00 0.02 0.00 0.00 46.19 43.75 1p8g s LEU 27 CO 0.72 -1.00 1.82 -0.78 0.02 0.00 0.00 176.35 177.13 1p8g h ASP 28 N 8.31 0.45 0.59 2.29 1.82 -1.95 0.64 116.42 128.58 1p8g h ASP 28 Ca -0.46 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1p8g h ASP 28 Cb 1.21 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1p8g h ASP 28 CO 0.95 0.15 0.00 0.61 -1.61 0.00 0.00 179.24 179.34 1p8g n GLY 29 N -1.49 -1.10 3.71 -0.78 0.00 -1.26 -4.82 105.19 99.44 1p8g n GLY 29 Ca 0.22 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1p8g n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8g s VAL 30 N -2.91 2.43 0.00 1.61 0.11 0.22 -0.53 120.40 121.32 1p8g s VAL 30 Ca 0.11 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1p8g s VAL 30 Cb 0.12 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.59 1p8g s VAL 30 CO 0.33 -0.17 0.00 -0.24 -3.33 0.00 0.00 175.10 171.69 1p8g n SER 31 N -3.78 0.60 -3.90 3.54 2.88 0.11 -4.83 113.62 108.25 1p8g n SER 31 Ca 0.11 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.55 1p8g n SER 31 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 1p8g n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8g s ALA 32 N -1.68 -0.21 -0.37 -1.46 0.00 0.55 -4.92 121.76 113.67 1p8g s ALA 32 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 51.96 51.87 1p8g s ALA 32 Cb 0.00 0.10 0.39 0.00 0.00 0.00 0.00 23.12 23.61 1p8g s ALA 32 CO 0.00 -0.19 0.92 1.33 0.00 0.00 0.00 175.76 177.83 1p8g n VAL 33 N 1.59 0.28 -2.06 0.00 0.24 -1.22 -0.69 118.33 116.46 1p8g n VAL 33 Ca -0.22 -3.34 -0.42 0.00 -2.04 0.00 0.00 64.34 58.32 1p8g n VAL 33 Cb 0.56 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1p8g n VAL 33 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1p8g n HIS 34 N 0.08 3.08 -2.07 6.34 -0.00 0.66 -4.89 115.22 118.42 1p8g n HIS 34 Ca 0.14 -2.87 -0.42 0.00 0.46 0.00 0.00 57.72 55.03 1p8g n HIS 34 Cb 0.74 -2.17 -0.03 0.00 -0.12 0.00 0.00 29.99 28.42 1p8g n HIS 34 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1p8g s VAL 35 N 1.29 3.67 -0.41 3.57 0.11 -1.26 -1.13 120.40 126.24 1p8g s VAL 35 Ca 0.44 0.80 0.11 0.00 -2.93 0.00 0.00 61.98 60.40 1p8g s VAL 35 Cb 0.12 -3.56 0.36 0.00 -1.53 0.00 0.00 36.38 31.76 1p8g s VAL 35 CO -0.04 -0.12 0.79 0.59 -3.33 0.00 0.00 175.10 172.99 1p8g n ASN 36 N 7.48 1.60 0.06 3.54 4.13 0.08 -4.94 115.26 127.22 1p8g n ASN 36 Ca 0.17 -3.13 0.19 0.00 1.68 0.00 0.00 54.58 53.50 1p8g n ASN 36 Cb 0.44 -0.60 0.72 0.00 -1.54 0.00 0.00 39.78 38.80 1p8g n ASN 36 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1p8g h LEU 37 N 2.99 0.00 -1.16 3.41 8.10 -1.83 0.34 115.31 127.16 1p8g h LEU 37 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.05 1p8g h LEU 37 Cb 0.90 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.09 1p8g h LEU 37 CO 0.56 0.00 0.19 -0.33 -4.11 0.00 0.00 178.44 174.75 1p8g h GLU 38 N 0.00 0.78 -0.00 0.17 5.08 -1.92 0.41 114.58 119.10 1p8g h GLU 38 Ca 0.20 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1p8g h GLU 38 Cb 0.90 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1p8g h GLU 38 CO -0.00 0.66 -0.01 0.00 -1.00 0.00 0.00 179.01 178.66 1p8g n ALA 39 N -2.46 2.42 -2.09 3.43 0.00 0.11 -4.92 120.51 117.00 1p8g n ALA 39 Ca 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1p8g n ALA 39 Cb 0.18 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.16 1p8g n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p8g n GLY 40 N 1.41 0.22 3.47 0.00 0.00 0.13 -5.03 105.19 105.39 1p8g n GLY 40 Ca 0.10 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 1p8g n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8g s LYS 41 N -4.22 1.32 -0.16 1.61 1.02 -1.01 -4.95 119.74 113.35 1p8g s LYS 41 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.29 1p8g s LYS 41 Cb -0.00 0.56 0.07 0.00 -0.52 0.00 0.00 37.83 37.93 1p8g s LYS 41 CO 0.00 -0.57 0.36 0.08 -0.92 0.00 0.00 175.35 174.30 1p8g s VAL 42 N -3.80 -0.24 -0.66 3.17 1.01 -1.26 -0.74 120.40 117.88 1p8g s VAL 42 Ca 0.04 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1p8g s VAL 42 Cb -0.01 -0.56 0.17 0.00 0.00 0.00 0.00 36.38 35.98 1p8g s VAL 42 CO -0.09 0.06 0.54 -0.62 0.00 0.00 0.00 175.10 175.00 1p8g s ASP 43 N 1.83 5.99 -0.40 3.32 -1.08 -0.29 -3.90 116.67 122.15 1p8g s ASP 43 Ca -0.06 -2.48 -0.10 0.00 -0.52 0.00 0.00 52.55 49.39 1p8g s ASP 43 Cb -0.10 -2.05 0.05 0.00 -1.46 0.00 0.00 42.92 39.36 1p8g s ASP 43 CO -0.11 -0.56 0.24 0.68 0.52 0.00 0.00 175.17 175.93 1p8g s VAL 44 N 0.50 4.46 -0.35 1.11 -7.23 0.40 -0.24 120.40 119.06 1p8g s VAL 44 Ca 0.13 -1.11 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 1p8g s VAL 44 Cb -0.19 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.14 1p8g s VAL 44 CO -0.04 -0.38 0.34 -0.55 -0.31 0.00 0.00 175.10 174.16 1p8g s SER 45 N 1.87 6.15 0.03 4.85 0.15 0.13 -0.85 113.70 126.02 1p8g s SER 45 Ca 0.02 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.29 1p8g s SER 45 Cb -0.21 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1p8g s SER 45 CO 0.05 -0.33 0.13 0.72 1.20 0.00 0.00 173.24 175.01 1p8g s PHE 46 N 1.95 0.12 -1.34 3.44 -0.12 -0.92 0.05 117.98 121.15 1p8g s PHE 46 Ca 0.10 -0.34 -0.17 0.00 -0.05 0.00 0.00 56.93 56.47 1p8g s PHE 46 Cb -0.17 -0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.20 1p8g s PHE 46 CO 0.11 -0.36 1.87 -3.47 -0.05 0.00 0.00 175.22 173.33 1p8g n ASP 47 N 0.93 4.64 -0.42 1.98 2.03 0.31 -1.19 116.55 124.82 1p8g n ASP 47 Ca -0.20 -2.90 0.37 0.00 0.52 0.00 0.00 54.79 52.59 1p8g n ASP 47 Cb 0.58 -1.72 0.65 0.00 -0.72 0.00 0.00 41.12 39.91 1p8g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p8g h ALA 48 N 7.11 2.62 0.08 -1.67 0.00 -1.87 0.16 119.26 125.68 1p8g h ALA 48 Ca 0.48 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.59 1p8g h ALA 48 Cb 0.80 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1p8g h ALA 48 CO 1.58 -1.34 -0.32 0.22 0.00 0.00 0.00 179.25 179.39 1p8g h ASP 49 N 0.01 -0.93 0.15 0.00 1.82 -1.98 -2.73 116.42 112.77 1p8g h ASP 49 Ca 0.87 0.11 -0.29 0.00 -0.39 0.00 0.00 57.03 57.33 1p8g h ASP 49 Cb 2.63 0.36 0.01 0.00 0.68 0.00 0.00 39.33 43.01 1p8g h ASP 49 CO -0.56 -0.40 -1.41 0.50 -1.61 0.00 0.00 179.24 175.77 1p8g h LYS 50 N -0.52 0.32 -3.53 0.28 3.64 -1.21 -3.42 116.57 112.14 1p8g h LYS 50 Ca 0.04 -0.56 -0.59 0.00 -1.27 0.00 0.00 60.65 58.28 1p8g h LYS 50 Cb 0.57 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 32.19 1p8g h LYS 50 CO -0.21 1.27 -0.76 0.14 -2.27 0.00 0.00 179.45 177.62 1p8g s VAL 51 N -2.51 0.92 0.43 2.00 -7.23 0.02 -5.12 120.40 108.92 1p8g s VAL 51 Ca -0.17 -1.49 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 1p8g s VAL 51 Cb 0.04 -1.70 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 1p8g s VAL 51 CO 0.82 -0.69 1.28 -0.44 -0.31 0.00 0.00 175.10 175.76 1p8g s SER 52 N 1.53 6.16 0.30 4.85 0.01 -1.03 -3.21 113.70 122.31 1p8g s SER 52 Ca 0.10 2.60 0.05 0.00 1.31 0.00 0.00 55.95 60.02 1p8g s SER 52 Cb -0.18 -2.63 0.83 0.00 0.21 0.00 0.00 66.02 64.25 1p8g s SER 52 CO -0.23 -0.95 1.48 1.33 0.41 0.00 0.00 173.24 175.28 1p8g n VAL 53 N -0.13 -0.40 0.16 3.43 0.24 -1.26 0.85 118.33 121.23 1p8g n VAL 53 Ca 0.05 2.05 -0.14 0.00 -2.04 0.00 0.00 64.34 64.26 1p8g n VAL 53 Cb 0.45 -3.05 -0.07 0.00 -1.47 0.00 0.00 33.84 29.70 1p8g n VAL 53 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1p8g h LYS 54 N 0.00 -0.58 -1.03 7.34 3.11 -1.90 -0.21 116.57 123.30 1p8g h LYS 54 Ca 0.62 0.04 0.27 0.00 -2.81 0.00 0.00 60.65 58.77 1p8g h LYS 54 Cb 1.37 0.13 -0.12 0.00 -1.00 0.00 0.00 32.23 32.61 1p8g h LYS 54 CO -0.86 -0.39 0.63 0.22 -2.81 0.00 0.00 179.45 176.24 1p8g h ASP 55 N -0.60 0.57 0.19 4.20 3.58 0.12 0.24 116.42 124.72 1p8g h ASP 55 Ca 0.01 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1p8g h ASP 55 Cb 0.58 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1p8g h ASP 55 CO -0.12 0.06 -0.09 0.40 -2.88 0.00 0.00 179.24 176.61 1p8g h ILE 56 N 0.47 0.91 -0.64 2.25 1.08 -0.57 -0.16 117.51 120.85 1p8g h ILE 56 Ca 0.65 -0.77 0.13 0.00 -0.39 0.00 0.00 64.86 64.47 1p8g h ILE 56 Cb 1.42 1.35 -0.10 0.00 -3.07 0.00 0.00 36.82 36.42 1p8g h ILE 56 CO -0.43 0.17 0.07 0.00 -0.69 0.00 0.00 178.15 177.27 1p8g h ALA 57 N 0.02 0.71 -0.78 1.87 0.00 0.74 0.22 119.26 122.05 1p8g h ALA 57 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1p8g h ALA 57 Cb 0.47 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1p8g h ALA 57 CO 0.04 -0.36 0.42 -0.44 0.00 0.00 0.00 179.25 178.92 1p8g h ASP 58 N 0.19 0.96 -0.74 0.00 3.32 -0.47 -0.50 116.42 119.18 1p8g h ASP 58 Ca 0.34 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1p8g h ASP 58 Cb 0.55 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1p8g h ASP 58 CO -0.49 0.77 0.45 0.00 -1.72 0.00 0.00 179.24 178.25 1p8g h ALA 59 N 1.38 1.39 -0.50 3.45 0.00 0.13 0.11 119.26 125.22 1p8g h ALA 59 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1p8g h ALA 59 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1p8g h ALA 59 CO -0.04 0.53 0.09 0.82 0.00 0.00 0.00 179.25 180.64 1p8g h ILE 60 N 1.02 1.25 0.00 0.00 5.03 -0.43 -2.87 117.51 121.51 1p8g h ILE 60 Ca 0.27 -0.92 -0.00 0.00 -0.12 0.00 0.00 64.86 64.09 1p8g h ILE 60 Cb -0.04 0.87 -0.00 0.00 -3.03 0.00 0.00 36.82 34.62 1p8g h ILE 60 CO -0.05 0.33 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.41 1p8g h GLU 61 N 0.70 0.00 -0.25 2.37 5.08 0.63 0.39 114.58 123.50 1p8g h GLU 61 Ca 0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1p8g h GLU 61 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1p8g h GLU 61 CO 0.01 0.01 -0.14 0.22 -1.00 0.00 0.00 179.01 178.11 1p8g h ASP 62 N 0.00 0.40 0.00 1.42 3.58 -0.73 -3.40 116.42 117.69 1p8g h ASP 62 Ca -0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1p8g h ASP 62 Cb 0.06 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1p8g h ASP 62 CO 0.00 0.57 -0.77 0.00 -2.88 0.00 0.00 179.24 176.16 1p8g n GLN 63 N -4.21 0.41 0.00 0.28 1.13 0.83 -5.07 117.38 110.74 1p8g n GLN 63 Ca 0.00 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1p8g n GLN 63 Cb 0.32 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1p8g n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p8g n GLY 64 N 1.58 4.66 2.72 1.08 0.00 1.00 -5.12 105.19 111.11 1p8g n GLY 64 Ca -0.11 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1p8g n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p8g n TYR 65 N 0.00 -3.07 -2.88 1.61 4.01 -1.26 -4.03 117.16 111.54 1p8g n TYR 65 Ca 0.00 -1.95 -0.12 0.00 -0.16 0.00 0.00 57.90 55.67 1p8g n TYR 65 Cb 0.00 1.51 0.03 0.00 -0.31 0.00 0.00 39.34 40.57 1p8g n TYR 65 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1p8g n ASP 66 N 1.20 0.04 -2.85 7.72 9.92 -1.26 -4.86 116.55 126.45 1p8g n ASP 66 Ca 0.09 -2.97 -0.11 0.00 -0.53 0.00 0.00 54.79 51.26 1p8g n ASP 66 Cb 0.65 0.11 0.06 0.00 -0.64 0.00 0.00 41.12 41.29 1p8g n ASP 66 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1p8g n VAL 67 N 0.07 -0.01 0.00 2.53 0.24 -1.26 -4.24 118.33 115.66 1p8g n VAL 67 Ca 0.13 -2.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 1p8g n VAL 67 Cb 0.74 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1p8g n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p8g n ALA 68 N 0.23 0.00 0.00 2.33 0.00 -0.74 -4.83 120.51 117.50 1p8g n ALA 68 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1p8g n ALA 68 Cb 0.71 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1p8g n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1p8g n LYS 69 N -2.26 -0.93 -2.57 0.00 4.81 -1.22 -5.02 118.16 110.98 1p8g n LYS 69 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1p8g n LYS 69 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1p8g n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1p8g s ILE 70 N -2.00 4.47 -0.70 3.15 1.09 -1.26 -0.27 121.20 125.69 1p8g s ILE 70 Ca 0.00 1.77 -0.26 0.00 -1.10 0.00 0.00 60.65 61.06 1p8g s ILE 70 Cb 0.00 -4.14 -0.11 0.00 -1.06 0.00 0.00 42.46 37.15 1p8g s ILE 70 CO 0.00 0.09 2.38 -1.61 -0.10 0.00 0.00 174.94 175.70 1p8g s GLU 71 N 1.39 1.82 0.00 2.79 2.02 0.22 -2.72 118.70 124.22 1p8g s GLU 71 Ca 0.54 0.74 0.00 0.00 0.02 0.00 0.00 54.97 56.28 1p8g s GLU 71 Cb -0.24 -4.73 0.00 0.00 0.10 0.00 0.00 34.13 29.26 1p8g s GLU 71 CO 0.26 -4.00 0.00 0.41 0.02 0.00 0.00 175.26 171.94 1p8g n GLY 72 N 6.54 0.88 3.30 -1.39 0.00 -1.26 -4.62 105.19 108.64 1p8g n GLY 72 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19