#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 0.67 -0.20 2.12 2.02 -1.17 -4.99 118.70 117.14 1p8g s GLU 2 Ca 0.00 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 54.02 1p8g s GLU 2 Cb 0.00 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 1p8g s GLU 2 CO 0.00 -0.18 0.54 -1.14 0.02 0.00 0.00 175.26 174.50 1p8g s GLN 3 N -2.90 4.19 0.26 1.61 0.74 -1.26 -1.77 119.66 120.52 1p8g s GLN 3 Ca -0.02 0.45 -0.02 0.00 0.05 0.00 0.00 55.36 55.81 1p8g s GLN 3 Cb 0.01 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 1p8g s GLN 3 CO -0.06 -0.17 0.28 -1.59 -0.55 0.00 0.00 175.29 173.20 1p8g s LYS 4 N 1.72 1.48 -0.31 1.67 0.00 -0.16 -4.94 119.74 119.21 1p8g s LYS 4 Ca 0.25 -1.65 0.00 0.00 0.00 0.00 0.00 55.97 54.57 1p8g s LYS 4 Cb -0.15 0.35 0.06 0.00 0.00 0.00 0.00 37.83 38.09 1p8g s LYS 4 CO 0.10 -0.55 -0.00 0.99 0.00 0.00 0.00 175.35 175.89 1p8g s THR 5 N -3.83 2.72 -1.05 3.79 2.01 -1.26 -0.41 115.64 117.62 1p8g s THR 5 Ca 0.35 -1.63 -0.21 0.00 0.31 0.00 0.00 61.69 60.51 1p8g s THR 5 Cb 0.04 -2.66 0.07 0.00 0.01 0.00 0.00 72.50 69.96 1p8g s THR 5 CO 0.16 -0.20 1.44 -0.76 -0.69 0.00 0.00 174.62 174.56 1p8g s LEU 6 N 1.16 3.82 -0.37 4.42 1.43 -1.25 -2.09 118.68 125.80 1p8g s LEU 6 Ca -0.03 -1.71 -0.41 0.00 -1.03 0.00 0.00 54.13 50.96 1p8g s LEU 6 Cb -0.20 -2.54 -0.16 0.00 0.03 0.00 0.00 46.19 43.32 1p8g s LEU 6 CO -0.03 -1.38 1.91 1.67 0.23 0.00 0.00 176.35 178.75 1p8g n GLN 7 N 8.39 0.77 -2.83 1.70 0.00 0.16 -4.69 117.38 120.87 1p8g n GLN 7 Ca 0.34 0.26 -0.41 0.00 -0.00 0.00 0.00 57.00 57.18 1p8g n GLN 7 Cb 0.50 -2.00 -0.04 0.00 0.00 0.00 0.00 30.24 28.70 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 4.86 4.92 -0.76 1.69 1.01 -1.26 -0.29 120.40 130.58 1p8g s VAL 8 Ca 1.06 1.82 -0.19 0.00 0.00 0.00 0.00 61.98 64.68 1p8g s VAL 8 Cb -1.16 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 31.14 1p8g s VAL 8 CO 0.64 0.17 0.90 -0.70 0.00 0.00 0.00 175.10 176.11 1p8g s GLU 9 N 1.12 3.34 -0.56 2.72 2.56 -1.22 -4.67 118.70 121.99 1p8g s GLU 9 Ca 0.46 -1.58 -0.26 0.00 0.00 0.00 0.00 54.97 53.58 1p8g s GLU 9 Cb -0.19 -4.51 -0.04 0.00 2.00 0.00 0.00 34.13 31.39 1p8g s GLU 9 CO 0.23 -1.63 2.04 0.20 -0.56 0.00 0.00 175.26 175.54 1p8g s GLY 10 N 3.41 0.01 -0.43 -1.50 0.00 -1.26 -4.31 107.32 103.24 1p8g s GLY 10 Ca 0.21 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.59 1p8g s GLY 10 CO -0.01 3.66 0.43 1.06 0.00 0.00 0.00 173.10 178.23 1p8g s MET 11 N 7.40 0.94 0.23 2.90 -1.94 -1.26 -4.94 119.30 122.62 1p8g s MET 11 Ca 0.78 -1.87 0.00 0.00 -1.71 0.00 0.00 55.69 52.89 1p8g s MET 11 Cb -0.15 -1.10 0.00 0.00 2.01 0.00 0.00 34.83 35.59 1p8g s MET 11 CO 0.23 -1.38 0.00 -1.13 -0.01 0.00 0.00 175.02 172.73 1p8g n SER 12 N 2.87 -1.09 0.00 3.03 3.41 -1.26 -4.91 113.62 115.68 1p8g n SER 12 Ca 0.27 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1p8g n SER 12 Cb 0.50 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p8g n GLN 14 N 0.45 -1.20 -4.71 0.00 7.27 -1.26 -5.09 117.38 112.85 1p8g n GLN 14 Ca 0.00 0.27 -0.26 0.00 0.07 0.00 0.00 57.00 57.07 1p8g n GLN 14 Cb 0.00 -3.10 -0.17 0.00 2.41 0.00 0.00 30.24 29.38 1p8g n GLN 14 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1p8g s HIS 15 N -3.12 1.70 -1.47 3.69 -3.43 -1.26 -5.02 115.29 106.39 1p8g s HIS 15 Ca 0.09 -0.65 -0.11 0.00 -0.80 0.00 0.00 55.06 53.58 1p8g s HIS 15 Cb -0.01 -1.21 0.03 0.00 -1.43 0.00 0.00 32.58 29.96 1p8g s HIS 15 CO 0.23 -0.31 2.39 0.00 -2.00 0.00 0.00 174.74 175.04 1p8g n VAL 17 N 4.13 0.00 0.01 0.00 0.24 -1.26 -4.79 118.33 116.66 1p8g n VAL 17 Ca 0.58 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.99 1p8g n VAL 17 Cb 0.33 -1.08 0.55 0.00 -1.47 0.00 0.00 33.84 32.17 1p8g n VAL 17 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1p8g h LYS 18 N 0.00 0.28 0.02 7.34 2.10 -1.98 0.18 116.57 124.51 1p8g h LYS 18 Ca -0.16 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.48 1p8g h LYS 18 Cb 0.84 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.08 1p8g h LYS 18 CO 0.24 0.18 -0.28 0.00 -2.00 0.00 0.00 179.45 177.59 1p8g h ALA 19 N 1.77 -0.75 -0.57 0.07 0.00 -1.87 0.13 119.26 118.05 1p8g h ALA 19 Ca 0.20 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1p8g h ALA 19 Cb 0.41 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1p8g h ALA 19 CO -0.04 -0.83 0.20 0.28 0.00 0.00 0.00 179.25 178.86 1p8g h VAL 20 N -0.37 0.78 0.59 0.00 2.07 -0.95 -0.03 116.25 118.33 1p8g h VAL 20 Ca 0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1p8g h VAL 20 Cb 0.39 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1p8g h VAL 20 CO -0.18 0.07 -0.28 -0.08 0.02 0.00 0.00 177.57 177.12 1p8g h GLU 21 N 0.38 -0.76 -0.56 1.57 4.81 -0.61 -1.59 114.58 117.82 1p8g h GLU 21 Ca 0.28 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.68 1p8g h GLU 21 Cb 0.34 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 1p8g h GLU 21 CO -0.29 -0.51 0.02 1.15 -0.73 0.00 0.00 179.01 178.65 1p8g h THR 22 N -0.83 0.57 0.43 0.32 2.02 -0.69 0.15 112.91 114.88 1p8g h THR 22 Ca -0.08 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1p8g h THR 22 Cb 0.61 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1p8g h THR 22 CO 0.13 0.02 -0.26 -1.28 0.37 0.00 0.00 175.52 174.51 1p8g h SER 23 N 0.13 -0.65 -0.48 4.18 0.87 -0.78 0.48 113.55 117.30 1p8g h SER 23 Ca 0.29 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1p8g h SER 23 Cb 0.44 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1p8g h SER 23 CO -0.46 -0.40 0.14 0.58 -0.53 0.00 0.00 176.83 176.16 1p8g h VAL 24 N -0.65 1.22 0.00 2.23 2.07 -1.29 -0.06 116.25 119.78 1p8g h VAL 24 Ca -0.06 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1p8g h VAL 24 Cb 0.52 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1p8g h VAL 24 CO 0.06 0.30 0.10 1.23 0.02 0.00 0.00 177.57 179.28 1p8g h GLY 25 N 0.96 0.00 1.88 2.17 0.00 -0.28 -2.08 103.07 105.72 1p8g h GLY 25 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1p8g h GLY 25 CO -0.00 0.00 -0.48 0.83 0.00 0.00 0.00 176.54 176.89 1p8g h GLU 26 N 0.00 0.00 -6.31 4.80 5.08 0.11 -3.46 114.58 114.81 1p8g h GLU 26 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1p8g h GLU 26 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1p8g h GLU 26 CO 0.00 0.35 1.02 -0.51 -1.00 0.00 0.00 179.01 178.86 1p8g s LEU 27 N -6.30 4.32 0.31 1.33 1.43 -0.78 -4.88 118.68 114.10 1p8g s LEU 27 Ca 0.04 2.23 0.07 0.00 -1.03 0.00 0.00 54.13 55.44 1p8g s LEU 27 Cb 0.07 -3.54 0.85 0.00 0.03 0.00 0.00 46.19 43.59 1p8g s LEU 27 CO 0.73 -0.87 1.69 -0.78 0.23 0.00 0.00 176.35 177.35 1p8g h ASP 28 N 8.95 0.41 0.35 2.29 3.58 -1.89 0.43 116.42 130.54 1p8g h ASP 28 Ca -0.39 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1p8g h ASP 28 Cb 1.18 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1p8g h ASP 28 CO 0.94 -0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.88 1p8g n GLY 29 N -1.33 -0.99 3.73 -0.78 0.00 -1.26 -4.84 105.19 99.72 1p8g n GLY 29 Ca 0.25 -0.12 -0.31 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 -2.46 2.78 0.00 1.61 0.11 0.14 -0.28 120.40 122.30 1p8g s VAL 30 Ca 0.25 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1p8g s VAL 30 Cb 0.16 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1p8g s VAL 30 CO 0.34 -0.33 0.00 -0.24 -3.33 0.00 0.00 175.10 171.54 1p8g n SER 31 N -3.78 0.17 -3.92 3.54 2.88 0.15 -4.86 113.62 107.80 1p8g n SER 31 Ca 0.10 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.54 1p8g n SER 31 Cb 0.53 0.00 -0.11 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 -1.55 -0.10 -0.37 -1.46 0.00 -0.13 -4.93 121.76 113.23 1p8g s ALA 32 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 51.96 51.76 1p8g s ALA 32 Cb 0.00 0.11 0.37 0.00 0.00 0.00 0.00 23.12 23.60 1p8g s ALA 32 CO 0.00 -0.17 0.84 1.33 0.00 0.00 0.00 175.76 177.76 1p8g n VAL 33 N 1.66 0.10 -2.19 0.00 0.24 -1.24 -0.50 118.33 116.40 1p8g n VAL 33 Ca -0.22 -3.82 -0.43 0.00 -2.04 0.00 0.00 64.34 57.83 1p8g n VAL 33 Cb 0.56 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1p8g n VAL 33 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1p8g n HIS 34 N 0.19 4.01 -2.04 6.34 8.25 0.29 -4.87 115.22 127.39 1p8g n HIS 34 Ca 0.19 -2.94 -0.42 0.00 -0.26 0.00 0.00 57.72 54.29 1p8g n HIS 34 Cb 0.70 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.28 1p8g n HIS 34 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1p8g s VAL 35 N 3.21 2.87 -0.46 1.59 0.11 -1.26 -0.80 120.40 125.66 1p8g s VAL 35 Ca 0.49 0.65 0.07 0.00 -2.93 0.00 0.00 61.98 60.25 1p8g s VAL 35 Cb 0.09 -3.41 0.27 0.00 -1.53 0.00 0.00 36.38 31.79 1p8g s VAL 35 CO -0.01 0.06 0.87 -3.20 -3.33 0.00 0.00 175.10 169.49 1p8g n ASN 36 N 3.56 -1.99 0.27 3.54 2.85 0.01 -4.94 115.26 118.56 1p8g n ASN 36 Ca 0.11 -3.28 0.18 0.00 -0.11 0.00 0.00 54.58 51.48 1p8g n ASN 36 Cb 0.40 1.27 0.93 0.00 1.24 0.00 0.00 39.78 43.62 1p8g n ASN 36 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 1p8g h LEU 37 N 3.68 0.00 -0.64 1.20 8.10 -1.89 0.13 115.31 125.90 1p8g h LEU 37 Ca -0.08 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.87 1p8g h LEU 37 Cb 1.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.21 1p8g h LEU 37 CO 0.32 0.00 0.25 -0.33 -4.11 0.00 0.00 178.44 174.56 1p8g h GLU 38 N 0.00 0.97 0.00 0.17 4.39 -1.93 -1.95 114.58 116.22 1p8g h GLU 38 Ca 0.04 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 1p8g h GLU 38 Cb 0.34 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1p8g h GLU 38 CO -0.00 0.82 -0.62 0.00 -1.16 0.00 0.00 179.01 178.05 1p8g h ALA 39 N 1.10 0.65 -0.38 3.43 0.00 -1.33 -3.47 119.26 119.25 1p8g h ALA 39 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1p8g h ALA 39 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p8g h ALA 39 CO -0.02 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1p8g n GLY 40 N 1.06 1.01 3.65 0.00 0.00 0.24 -5.09 105.19 106.06 1p8g n GLY 40 Ca 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.08 1.88 -0.18 1.61 1.02 -0.87 -4.96 119.74 116.16 1p8g s LYS 41 Ca 0.00 -1.43 -0.08 0.00 0.02 0.00 0.00 55.97 54.48 1p8g s LYS 41 Cb 0.00 0.52 0.07 0.00 -0.52 0.00 0.00 37.83 37.91 1p8g s LYS 41 CO 0.00 -0.82 0.41 0.54 -0.92 0.00 0.00 175.35 174.56 1p8g s VAL 42 N -3.24 -0.32 -0.62 3.17 0.11 -1.26 -0.81 120.40 117.43 1p8g s VAL 42 Ca 0.22 0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 1p8g s VAL 42 Cb -0.02 -0.63 0.15 0.00 -1.53 0.00 0.00 36.38 34.35 1p8g s VAL 42 CO 0.13 0.06 0.58 -1.81 -3.33 0.00 0.00 175.10 170.72 1p8g s ASP 43 N 2.00 6.34 -0.35 3.54 1.01 0.02 -3.89 116.67 125.33 1p8g s ASP 43 Ca -0.05 -2.01 -0.04 0.00 0.71 0.00 0.00 52.55 51.16 1p8g s ASP 43 Cb -0.10 -2.21 0.06 0.00 1.01 0.00 0.00 42.92 41.68 1p8g s ASP 43 CO -0.13 -0.80 0.10 0.68 0.21 0.00 0.00 175.17 175.23 1p8g s VAL 44 N 1.28 3.35 -0.37 -1.27 -7.23 0.45 -0.55 120.40 116.08 1p8g s VAL 44 Ca 0.07 -1.50 -0.16 0.00 -1.81 0.00 0.00 61.98 58.58 1p8g s VAL 44 Cb -0.25 -3.03 -0.00 0.00 0.56 0.00 0.00 36.38 33.66 1p8g s VAL 44 CO 0.00 -0.31 0.40 -0.55 -0.31 0.00 0.00 175.10 174.33 1p8g s SER 45 N 1.50 6.20 0.02 4.85 0.15 0.35 -0.98 113.70 125.78 1p8g s SER 45 Ca -0.00 -0.35 -0.10 0.00 0.70 0.00 0.00 55.95 56.20 1p8g s SER 45 Cb -0.21 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1p8g s SER 45 CO -0.01 -0.43 0.20 0.72 1.20 0.00 0.00 173.24 174.93 1p8g s PHE 46 N 2.09 0.01 -1.21 3.44 -0.12 -0.73 0.33 117.98 121.79 1p8g s PHE 46 Ca 0.12 -0.15 -0.17 0.00 -0.05 0.00 0.00 56.93 56.68 1p8g s PHE 46 Cb -0.17 -0.01 0.10 0.00 -0.63 0.00 0.00 43.02 42.31 1p8g s PHE 46 CO 0.12 -0.39 1.57 0.34 -0.05 0.00 0.00 175.22 176.82 1p8g s ASP 47 N -1.80 6.85 0.60 1.98 -1.08 0.62 -3.07 116.67 120.77 1p8g s ASP 47 Ca -0.09 -2.46 0.28 0.00 -0.52 0.00 0.00 52.55 49.76 1p8g s ASP 47 Cb -0.03 -2.51 1.14 0.00 -1.46 0.00 0.00 42.92 40.05 1p8g s ASP 47 CO -0.01 -1.08 1.53 0.00 0.52 0.00 0.00 175.17 176.13 1p8g h ALA 48 N 7.82 2.64 0.62 3.66 0.00 -1.87 -1.19 119.26 130.93 1p8g h ALA 48 Ca 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1p8g h ALA 48 Cb 0.90 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1p8g h ALA 48 CO 1.37 -1.34 -0.30 0.22 0.00 0.00 0.00 179.25 179.20 1p8g h ASP 49 N 0.00 -0.70 0.19 0.00 1.82 -1.97 -3.17 116.42 112.58 1p8g h ASP 49 Ca 0.38 -0.02 -0.35 0.00 -0.39 0.00 0.00 57.03 56.64 1p8g h ASP 49 Cb 2.24 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 42.43 1p8g h ASP 49 CO -0.00 -0.40 -1.83 0.50 -1.61 0.00 0.00 179.24 175.90 1p8g h LYS 50 N -0.99 0.34 -4.26 0.28 3.64 -1.82 -3.41 116.57 110.34 1p8g h LYS 50 Ca -0.08 -0.57 -0.63 0.00 -1.27 0.00 0.00 60.65 58.09 1p8g h LYS 50 Cb 0.68 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 32.32 1p8g h LYS 50 CO 0.14 1.26 -0.74 0.14 -2.27 0.00 0.00 179.45 177.98 1p8g s VAL 51 N -2.57 1.73 0.78 2.00 -7.23 -0.51 -5.11 120.40 109.49 1p8g s VAL 51 Ca -0.18 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 57.92 1p8g s VAL 51 Cb 0.06 -2.27 0.07 0.00 0.56 0.00 0.00 36.38 34.79 1p8g s VAL 51 CO 0.82 -0.61 1.16 -0.94 -0.31 0.00 0.00 175.10 175.23 1p8g s SER 52 N 1.19 3.97 0.20 4.85 1.04 -1.20 -3.25 113.70 120.50 1p8g s SER 52 Ca 0.10 2.17 -0.04 0.00 0.48 0.00 0.00 55.95 58.66 1p8g s SER 52 Cb -0.18 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.74 1p8g s SER 52 CO -0.14 -2.40 1.07 0.52 0.98 0.00 0.00 173.24 173.26 1p8g n VAL 53 N -3.27 -0.29 0.14 5.02 0.31 -1.26 0.35 118.33 119.33 1p8g n VAL 53 Ca 0.12 1.55 -0.16 0.00 -0.01 0.00 0.00 64.34 65.84 1p8g n VAL 53 Cb 0.51 -2.18 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 1p8g n VAL 53 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1p8g h LYS 54 N 0.00 -0.74 -0.82 5.55 3.64 -1.98 0.18 116.57 122.40 1p8g h LYS 54 Ca 0.35 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.94 1p8g h LYS 54 Cb 0.59 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.48 1p8g h LYS 54 CO -0.69 -0.49 0.36 -0.44 -2.27 0.00 0.00 179.45 175.92 1p8g h ASP 55 N -0.77 0.37 0.09 4.20 3.32 -0.42 0.22 116.42 123.43 1p8g h ASP 55 Ca -0.01 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1p8g h ASP 55 Cb 0.76 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1p8g h ASP 55 CO -0.24 0.12 -0.05 0.40 -1.72 0.00 0.00 179.24 177.75 1p8g h ILE 56 N 0.49 1.02 -0.29 0.35 1.08 -0.09 -0.69 117.51 119.38 1p8g h ILE 56 Ca 0.46 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1p8g h ILE 56 Cb 0.74 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1p8g h ILE 56 CO -0.42 0.10 0.18 0.00 -0.69 0.00 0.00 178.15 177.32 1p8g h ALA 57 N 0.58 0.36 -0.87 1.87 0.00 0.59 -0.70 119.26 121.09 1p8g h ALA 57 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1p8g h ALA 57 Cb 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1p8g h ALA 57 CO 0.02 -0.16 0.56 -0.44 0.00 0.00 0.00 179.25 179.23 1p8g h ASP 58 N 0.38 0.75 -0.93 0.00 3.32 -0.52 0.24 116.42 119.65 1p8g h ASP 58 Ca 0.10 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.26 1p8g h ASP 58 Cb -0.03 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.32 1p8g h ASP 58 CO -0.02 0.43 0.58 0.00 -1.72 0.00 0.00 179.24 178.51 1p8g h ALA 59 N 1.57 1.33 -0.71 3.45 0.00 0.45 0.87 119.26 126.22 1p8g h ALA 59 Ca 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 1p8g h ALA 59 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1p8g h ALA 59 CO -0.18 0.29 0.26 0.82 0.00 0.00 0.00 179.25 180.44 1p8g h ILE 60 N 1.01 1.25 -0.90 0.00 5.03 -0.30 0.85 117.51 124.44 1p8g h ILE 60 Ca 0.43 -0.80 0.03 0.00 -0.12 0.00 0.00 64.86 64.40 1p8g h ILE 60 Cb 0.28 0.41 -0.05 0.00 -3.03 0.00 0.00 36.82 34.43 1p8g h ILE 60 CO -0.21 0.32 0.59 -0.33 -0.68 0.00 0.00 178.15 177.85 1p8g h GLU 61 N 1.04 1.11 0.61 2.37 3.07 -0.32 0.06 114.58 122.52 1p8g h GLU 61 Ca 0.24 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.00 1p8g h GLU 61 Cb 0.23 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1p8g h GLU 61 CO -0.02 0.73 -0.29 -0.44 -1.40 0.00 0.00 179.01 177.59 1p8g h ASP 62 N 1.14 -0.69 -2.27 1.42 3.32 -0.50 -3.34 116.42 115.49 1p8g h ASP 62 Ca 0.36 0.00 -0.80 0.00 0.02 0.00 0.00 57.03 56.60 1p8g h ASP 62 Cb 0.00 0.18 -0.26 0.00 0.22 0.00 0.00 39.33 39.47 1p8g h ASP 62 CO -0.10 -0.46 1.12 0.00 -1.72 0.00 0.00 179.24 178.08 1p8g n GLN 63 N -5.42 5.18 -1.39 3.56 1.13 0.23 -4.87 117.38 115.80 1p8g n GLN 63 Ca -0.13 -4.54 0.00 0.00 -1.94 0.00 0.00 57.00 50.40 1p8g n GLN 63 Cb 0.34 -2.50 0.00 0.00 0.11 0.00 0.00 30.24 28.19 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 0.38 -2.71 3.57 1.08 0.00 -0.08 -4.15 105.19 103.28 1p8g n GLY 64 Ca 0.44 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1p8g n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p8g s TYR 65 N 0.00 1.57 -0.43 1.61 1.13 -1.13 -4.47 117.35 115.63 1p8g s TYR 65 Ca 0.00 0.88 0.08 0.00 -1.41 0.00 0.00 57.07 56.62 1p8g s TYR 65 Cb 0.00 -3.99 0.28 0.00 -1.10 0.00 0.00 41.96 37.15 1p8g s TYR 65 CO 0.00 -2.61 0.78 -0.25 -2.51 0.00 0.00 175.55 170.97 1p8g n ASP 66 N 12.64 -1.06 -2.90 -0.18 9.92 -1.26 -4.75 116.55 128.95 1p8g n ASP 66 Ca 0.25 -3.13 -0.11 0.00 -0.53 0.00 0.00 54.79 51.27 1p8g n ASP 66 Cb 0.51 0.57 -0.00 0.00 -0.64 0.00 0.00 41.12 41.55 1p8g n ASP 66 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1p8g n VAL 67 N 1.05 -0.27 -0.02 2.53 3.14 -1.26 -3.41 118.33 120.09 1p8g n VAL 67 Ca 0.16 -1.92 -0.01 0.00 -2.96 0.00 0.00 64.34 59.61 1p8g n VAL 67 Cb 0.62 0.41 -0.01 0.00 -1.06 0.00 0.00 33.84 33.80 1p8g n VAL 67 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p8g n ALA 68 N 2.26 -0.03 0.00 1.55 0.00 0.61 -4.79 120.51 120.10 1p8g n ALA 68 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1p8g n ALA 68 Cb 0.57 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1p8g n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p8g n LYS 69 N -2.75 -2.40 -2.15 0.00 5.02 -0.86 -4.98 118.16 110.04 1p8g n LYS 69 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1p8g n LYS 69 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.00 1p8g n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1p8g s ILE 70 N -2.00 3.69 -0.95 -0.18 1.10 -1.26 0.36 121.20 121.96 1p8g s ILE 70 Ca 0.00 0.97 -0.06 0.00 -0.51 0.00 0.00 60.65 61.06 1p8g s ILE 70 Cb 0.00 -3.63 0.24 0.00 0.15 0.00 0.00 42.46 39.22 1p8g s ILE 70 CO 0.00 -0.04 0.88 -1.61 -2.11 0.00 0.00 174.94 172.05 1p8g s GLU 71 N 3.12 3.60 0.00 3.50 0.41 -0.89 -4.87 118.70 123.57 1p8g s GLU 71 Ca 0.67 -3.12 0.00 0.00 -0.41 0.00 0.00 54.97 52.10 1p8g s GLU 71 Cb -0.31 -4.21 0.00 0.00 -1.78 0.00 0.00 34.13 27.83 1p8g s GLU 71 CO 0.26 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.19 1p8g n GLY 72 N 2.72 -0.56 0.00 -1.39 0.00 -1.26 -4.63 105.19 100.06 1p8g n GLY 72 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19