#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 2.14 -0.62 2.12 0.41 -0.41 -4.91 118.70 117.42 1p8g s GLU 2 Ca 0.00 -0.49 -0.28 0.00 -0.41 0.00 0.00 54.97 53.79 1p8g s GLU 2 Cb 0.00 -2.00 0.02 0.00 -1.78 0.00 0.00 34.13 30.37 1p8g s GLU 2 CO 0.00 -0.24 1.32 -1.14 -0.49 0.00 0.00 175.26 174.71 1p8g s GLN 3 N 1.53 3.32 0.42 1.61 0.74 -1.26 -2.06 119.66 123.96 1p8g s GLN 3 Ca 0.05 0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.70 1p8g s GLN 3 Cb -0.13 -4.11 -0.03 0.00 1.10 0.00 0.00 33.01 29.84 1p8g s GLN 3 CO -0.10 -1.94 0.08 0.15 -0.55 0.00 0.00 175.29 172.93 1p8g s LYS 4 N 5.44 1.95 -0.19 1.67 1.02 -0.07 -4.84 119.74 124.72 1p8g s LYS 4 Ca 0.45 -2.19 -0.00 0.00 0.02 0.00 0.00 55.97 54.25 1p8g s LYS 4 Cb -0.09 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.34 1p8g s LYS 4 CO 0.22 -0.39 -0.16 0.99 -0.92 0.00 0.00 175.35 175.09 1p8g s THR 5 N -3.13 2.37 -0.51 2.17 2.01 -1.26 -0.41 115.64 116.89 1p8g s THR 5 Ca 0.22 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 1p8g s THR 5 Cb 0.04 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1p8g s THR 5 CO 0.12 0.48 1.31 -0.76 -0.69 0.00 0.00 174.62 175.08 1p8g s LEU 6 N 1.32 3.51 -0.17 4.42 1.43 -1.24 -0.70 118.68 127.25 1p8g s LEU 6 Ca 0.04 0.43 -0.34 0.00 -1.03 0.00 0.00 54.13 53.23 1p8g s LEU 6 Cb -0.14 -3.31 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1p8g s LEU 6 CO -0.10 -1.49 1.98 1.67 0.23 0.00 0.00 176.35 178.64 1p8g n GLN 7 N 8.29 1.90 -5.21 1.70 0.00 0.14 -4.38 117.38 119.82 1p8g n GLN 7 Ca 0.13 0.65 -0.32 0.00 -0.00 0.00 0.00 57.00 57.46 1p8g n GLN 7 Cb 0.49 -2.67 -0.17 0.00 0.00 0.00 0.00 30.24 27.89 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 5.28 2.03 -0.15 1.69 1.01 -1.26 -1.33 120.40 127.67 1p8g s VAL 8 Ca 0.97 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 1p8g s VAL 8 Cb -0.69 -1.75 -0.24 0.00 0.00 0.00 0.00 36.38 33.70 1p8g s VAL 8 CO 0.50 0.56 0.45 1.05 0.00 0.00 0.00 175.10 177.65 1p8g h GLU 9 N 6.60 0.13 -0.71 2.72 9.09 -1.93 -3.45 114.58 127.04 1p8g h GLU 9 Ca -0.22 -0.23 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1p8g h GLU 9 Cb 1.23 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1p8g h GLU 9 CO 0.47 1.11 0.00 0.41 0.05 0.00 0.00 179.01 181.05 1p8g n GLY 10 N 1.64 -1.61 3.61 1.06 0.00 -1.26 -5.00 105.19 103.63 1p8g n GLY 10 Ca -0.26 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 1p8g n GLY 10 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p8g s MET 11 N -2.75 1.95 6.26 1.61 1.75 -1.26 -5.06 119.30 121.80 1p8g s MET 11 Ca 0.00 -2.11 0.00 0.00 -1.25 0.00 0.00 55.69 52.33 1p8g s MET 11 Cb 0.00 -1.59 0.00 0.00 2.84 0.00 0.00 34.83 36.08 1p8g s MET 11 CO 0.00 -0.07 0.00 -1.13 -0.65 0.00 0.00 175.02 173.17 1p8g n SER 12 N -0.96 0.00 -3.68 1.11 3.41 -1.26 -4.59 113.62 107.65 1p8g n SER 12 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 1p8g n SER 12 Cb 0.67 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 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 4.49 -2.04 -4.25 0.00 6.02 -1.26 -4.92 117.38 115.42 1p8g n GLN 14 Ca -0.20 0.73 -0.18 0.00 -0.01 0.00 0.00 57.00 57.34 1p8g n GLN 14 Cb 0.55 -5.34 -0.08 0.00 1.02 0.00 0.00 30.24 26.39 1p8g n GLN 14 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1p8g s HIS 15 N -2.72 1.60 0.00 1.08 3.76 -1.26 -4.92 115.29 112.82 1p8g s HIS 15 Ca 0.00 -1.59 0.00 0.00 -0.15 0.00 0.00 55.06 53.32 1p8g s HIS 15 Cb 0.00 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.05 1p8g s HIS 15 CO 0.00 -0.86 0.00 0.00 -0.85 0.00 0.00 174.74 173.03 1p8g n VAL 17 N 0.00 -0.35 -0.07 0.00 0.31 -1.26 -0.66 118.33 116.30 1p8g n VAL 17 Ca 0.00 1.77 -0.21 0.00 -0.01 0.00 0.00 64.34 65.88 1p8g n VAL 17 Cb 0.00 -2.41 -0.13 0.00 -0.91 0.00 0.00 33.84 30.40 1p8g n VAL 17 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1p8g n LYS 18 N -5.21 0.68 -0.21 5.55 0.00 -1.26 -4.16 118.16 113.55 1p8g n LYS 18 Ca 0.11 0.27 0.01 0.00 -0.00 0.00 0.00 58.31 58.70 1p8g n LYS 18 Cb 0.36 -1.63 0.12 0.00 -0.00 0.00 0.00 35.03 33.88 1p8g n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p8g h ALA 19 N -0.14 0.82 0.00 0.58 0.00 -1.72 0.32 119.26 119.12 1p8g h ALA 19 Ca -0.49 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1p8g h ALA 19 Cb 1.85 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1p8g h ALA 19 CO -0.06 -0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.21 1p8g h VAL 20 N 0.37 0.56 0.04 0.00 2.07 -1.12 -0.84 116.25 117.33 1p8g h VAL 20 Ca 0.33 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1p8g h VAL 20 Cb 0.45 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1p8g h VAL 20 CO -0.36 0.03 -0.02 1.05 0.02 0.00 0.00 177.57 178.30 1p8g h GLU 21 N 0.00 -0.05 -0.65 1.57 -0.00 -0.68 -3.38 114.58 111.40 1p8g h GLU 21 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.49 1p8g h GLU 21 Cb 0.09 0.01 -0.12 0.00 -0.00 0.00 0.00 28.75 28.72 1p8g h GLU 21 CO 0.00 0.12 -0.19 1.15 -0.00 0.00 0.00 179.01 180.09 1p8g h THR 22 N -1.01 0.31 0.23 -1.06 2.02 -0.29 0.15 112.91 113.26 1p8g h THR 22 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1p8g h THR 22 Cb 0.18 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1p8g h THR 22 CO 0.01 0.00 -0.48 0.28 0.37 0.00 0.00 175.52 175.70 1p8g h SER 23 N -0.02 -1.40 -0.62 4.18 0.02 -1.35 0.11 113.55 114.47 1p8g h SER 23 Ca 0.31 0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.31 1p8g h SER 23 Cb 0.49 0.50 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1p8g h SER 23 CO -0.68 -0.55 0.04 0.58 -1.14 0.00 0.00 176.83 175.09 1p8g h VAL 24 N -0.77 1.26 0.00 2.27 2.07 -1.67 -1.43 116.25 117.99 1p8g h VAL 24 Ca -0.02 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1p8g h VAL 24 Cb 0.73 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1p8g h VAL 24 CO -0.19 0.40 0.42 1.23 0.02 0.00 0.00 177.57 179.45 1p8g h GLY 25 N 0.96 0.00 1.62 2.17 0.00 0.19 -0.21 103.07 107.80 1p8g h GLY 25 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1p8g h GLY 25 CO 0.02 0.00 -0.77 0.83 0.00 0.00 0.00 176.54 176.62 1p8g h GLU 26 N 0.00 0.00 -6.38 4.80 4.39 0.34 -3.46 114.58 114.27 1p8g h GLU 26 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1p8g h GLU 26 Cb 0.84 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1p8g h GLU 26 CO 0.00 0.35 0.80 -0.51 -1.16 0.00 0.00 179.01 178.49 1p8g s LEU 27 N -6.14 4.32 0.35 1.33 1.43 -0.09 -4.89 118.68 114.99 1p8g s LEU 27 Ca 0.02 2.09 0.13 0.00 -1.03 0.00 0.00 54.13 55.34 1p8g s LEU 27 Cb 0.08 -3.56 0.98 0.00 0.03 0.00 0.00 46.19 43.72 1p8g s LEU 27 CO 0.76 -0.69 1.74 -0.78 0.23 0.00 0.00 176.35 177.62 1p8g h ASP 28 N 7.68 0.58 0.84 2.29 3.58 -1.89 0.12 116.42 129.62 1p8g h ASP 28 Ca -0.38 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1p8g h ASP 28 Cb 1.18 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1p8g h ASP 28 CO 0.89 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 1p8g n GLY 29 N -1.38 -1.33 3.71 -0.78 0.00 -1.26 -4.83 105.19 99.33 1p8g n GLY 29 Ca 0.27 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.24 2.44 0.00 1.61 0.11 0.41 -0.38 120.40 121.36 1p8g s VAL 30 Ca 0.06 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1p8g s VAL 30 Cb 0.10 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1p8g s VAL 30 CO 0.42 -0.17 0.00 -0.24 -3.33 0.00 0.00 175.10 171.78 1p8g n SER 31 N -3.62 0.31 -3.96 3.54 2.88 0.87 -4.83 113.62 108.81 1p8g n SER 31 Ca 0.12 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 1p8g n SER 31 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.84 0.24 -0.38 -1.46 0.00 0.08 -4.95 121.76 113.45 1p8g s ALA 32 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 51.96 51.67 1p8g s ALA 32 Cb 0.00 0.04 0.35 0.00 0.00 0.00 0.00 23.12 23.51 1p8g s ALA 32 CO 0.00 -0.04 0.80 1.33 0.00 0.00 0.00 175.76 177.86 1p8g n VAL 33 N 2.21 -0.07 -2.18 0.00 0.24 -1.24 -0.97 118.33 116.32 1p8g n VAL 33 Ca -0.18 -4.04 -0.41 0.00 -2.04 0.00 0.00 64.34 57.67 1p8g n VAL 33 Cb 0.57 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.26 3.96 -1.77 6.34 8.25 0.53 -4.89 115.22 127.90 1p8g n HIS 34 Ca 0.21 -2.68 -0.42 0.00 -0.26 0.00 0.00 57.72 54.57 1p8g n HIS 34 Cb 0.68 -2.56 -0.02 0.00 1.12 0.00 0.00 29.99 29.21 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 4.63 2.07 -0.43 1.59 0.11 -1.26 -1.07 120.40 126.04 1p8g s VAL 35 Ca 0.53 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.72 1p8g s VAL 35 Cb 0.07 -3.04 0.34 0.00 -1.53 0.00 0.00 36.38 32.23 1p8g s VAL 35 CO 0.04 0.01 1.06 -3.20 -3.33 0.00 0.00 175.10 169.68 1p8g n ASN 36 N 2.81 -1.45 0.32 3.54 2.85 -0.30 -4.94 115.26 118.09 1p8g n ASN 36 Ca 0.11 -3.35 0.22 0.00 -0.11 0.00 0.00 54.58 51.44 1p8g n ASN 36 Cb 0.37 1.17 1.13 0.00 1.24 0.00 0.00 39.78 43.68 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 2.87 0.00 -0.66 1.20 8.10 -1.87 0.24 115.31 125.18 1p8g h LEU 37 Ca -0.08 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.77 1p8g h LEU 37 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.31 1p8g h LEU 37 CO 0.20 0.00 -0.40 -0.33 -4.11 0.00 0.00 178.44 173.80 1p8g h GLU 38 N 0.00 0.59 0.00 0.17 5.08 -1.94 -2.28 114.58 116.20 1p8g h GLU 38 Ca 0.00 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 1p8g h GLU 38 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1p8g h GLU 38 CO 0.00 0.89 -0.44 0.00 -1.00 0.00 0.00 179.01 178.46 1p8g h ALA 39 N 1.08 0.78 -0.09 3.43 0.00 -1.05 -3.47 119.26 119.95 1p8g h ALA 39 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1p8g h ALA 39 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1p8g h ALA 39 CO 0.08 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1p8g n GLY 40 N 0.89 1.31 3.61 0.00 0.00 -0.04 -5.08 105.19 105.87 1p8g n GLY 40 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.03 1.62 -0.24 1.61 1.02 -1.00 -4.86 119.74 115.86 1p8g s LYS 41 Ca 0.00 -1.29 -0.11 0.00 0.02 0.00 0.00 55.97 54.59 1p8g s LYS 41 Cb 0.00 0.48 0.09 0.00 -0.52 0.00 0.00 37.83 37.88 1p8g s LYS 41 CO 0.00 -0.68 0.56 0.54 -0.92 0.00 0.00 175.35 174.84 1p8g s VAL 42 N -3.86 -0.41 -0.52 3.17 0.11 -1.26 -1.15 120.40 116.48 1p8g s VAL 42 Ca 0.22 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.15 1p8g s VAL 42 Cb -0.01 -0.84 0.07 0.00 -1.53 0.00 0.00 36.38 34.07 1p8g s VAL 42 CO 0.10 0.02 0.59 -0.62 -3.33 0.00 0.00 175.10 171.87 1p8g s ASP 43 N 2.14 6.20 -0.31 3.54 -1.08 -0.23 -3.67 116.67 123.25 1p8g s ASP 43 Ca -0.07 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.83 1p8g s ASP 43 Cb -0.09 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.17 1p8g s ASP 43 CO -0.16 -0.89 0.00 0.68 0.52 0.00 0.00 175.17 175.32 1p8g s VAL 44 N 2.41 2.72 -0.37 1.11 -7.23 0.45 -0.35 120.40 119.15 1p8g s VAL 44 Ca 0.12 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 1p8g s VAL 44 Cb -0.22 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1p8g s VAL 44 CO 0.09 -0.22 0.44 -0.55 -0.31 0.00 0.00 175.10 174.55 1p8g s SER 45 N 1.24 6.23 0.05 4.85 0.15 -0.15 -0.89 113.70 125.18 1p8g s SER 45 Ca -0.02 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1p8g s SER 45 Cb -0.20 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 1p8g s SER 45 CO -0.03 -0.46 -0.05 0.72 1.20 0.00 0.00 173.24 174.62 1p8g s PHE 46 N 2.21 0.52 -1.34 3.44 -0.12 -0.88 -0.09 117.98 121.73 1p8g s PHE 46 Ca 0.15 -0.72 -0.17 0.00 -0.05 0.00 0.00 56.93 56.14 1p8g s PHE 46 Cb -0.16 -0.34 0.07 0.00 -0.63 0.00 0.00 43.02 41.95 1p8g s PHE 46 CO 0.13 -0.20 1.85 -3.47 -0.05 0.00 0.00 175.22 173.47 1p8g n ASP 47 N 0.94 4.69 -0.35 1.98 2.03 0.49 -1.29 116.55 125.04 1p8g n ASP 47 Ca -0.19 -2.91 0.33 0.00 0.52 0.00 0.00 54.79 52.54 1p8g n ASP 47 Cb 0.57 -1.72 0.58 0.00 -0.72 0.00 0.00 41.12 39.84 1p8g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p8g n ALA 48 N 7.68 1.08 -0.11 -1.67 0.00 -1.22 -0.57 120.51 125.71 1p8g n ALA 48 Ca 0.49 0.90 -0.11 0.00 0.00 0.00 0.00 53.44 54.72 1p8g n ALA 48 Cb 0.44 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.94 1p8g n ALA 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p8g h ASP 49 N 0.00 0.92 0.00 0.00 5.19 -1.96 -3.31 116.42 117.26 1p8g h ASP 49 Ca 0.81 -0.40 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1p8g h ASP 49 Cb 2.30 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 41.55 1p8g h ASP 49 CO -0.62 1.17 -0.11 0.50 -3.12 0.00 0.00 179.24 177.06 1p8g h LYS 50 N 0.73 0.00 -4.36 3.56 1.63 -1.24 -3.47 116.57 113.42 1p8g h LYS 50 Ca 0.07 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.50 1p8g h LYS 50 Cb 0.91 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 32.24 1p8g h LYS 50 CO 0.08 0.99 -0.77 0.08 -3.45 0.00 0.00 179.45 176.38 1p8g s VAL 51 N -2.22 0.53 0.27 2.00 1.01 0.02 -5.12 120.40 116.88 1p8g s VAL 51 Ca -0.20 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1p8g s VAL 51 Cb -0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 1p8g s VAL 51 CO 0.67 0.17 0.91 -0.94 0.00 0.00 0.00 175.10 175.91 1p8g s SER 52 N 0.12 7.45 0.23 3.32 1.04 -1.26 -3.44 113.70 121.16 1p8g s SER 52 Ca -0.01 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.23 1p8g s SER 52 Cb -0.06 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 63.96 1p8g s SER 52 CO -0.00 0.06 1.20 0.52 0.98 0.00 0.00 173.24 176.00 1p8g n VAL 53 N 1.05 -0.32 0.06 5.02 0.31 -1.26 -0.31 118.33 122.88 1p8g n VAL 53 Ca -0.01 1.73 -0.07 0.00 -0.01 0.00 0.00 64.34 65.98 1p8g n VAL 53 Cb 0.49 -2.45 -0.04 0.00 -0.91 0.00 0.00 33.84 30.92 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 -0.32 -0.98 5.55 3.64 -1.99 0.91 116.57 123.38 1p8g h LYS 54 Ca 0.42 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 60.15 1p8g h LYS 54 Cb 0.76 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.48 1p8g h LYS 54 CO -0.76 -0.21 0.41 -0.44 -2.27 0.00 0.00 179.45 176.18 1p8g h ASP 55 N -0.33 0.20 -0.44 4.20 5.19 -1.03 0.42 116.42 124.62 1p8g h ASP 55 Ca -0.01 0.23 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 1p8g h ASP 55 Cb 0.33 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1p8g h ASP 55 CO -0.11 -0.28 0.02 0.40 -3.12 0.00 0.00 179.24 176.15 1p8g h ILE 56 N 0.14 1.26 0.06 0.35 1.08 -0.01 -0.60 117.51 119.79 1p8g h ILE 56 Ca 0.72 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1p8g h ILE 56 Cb 1.70 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1p8g h ILE 56 CO -0.72 0.35 -0.03 0.00 -0.69 0.00 0.00 178.15 177.06 1p8g h ALA 57 N 0.91 -0.08 -0.78 1.87 0.00 0.21 -3.02 119.26 118.37 1p8g h ALA 57 Ca 0.13 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1p8g h ALA 57 Cb 0.47 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1p8g h ALA 57 CO 0.02 -0.47 0.51 -0.44 0.00 0.00 0.00 179.25 178.87 1p8g h ASP 58 N -0.23 0.78 -0.23 0.00 5.19 -0.45 0.19 116.42 121.68 1p8g h ASP 58 Ca -0.01 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.47 1p8g h ASP 58 Cb 0.20 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1p8g h ASP 58 CO 0.01 0.52 0.17 0.00 -3.12 0.00 0.00 179.24 176.82 1p8g h ALA 59 N 1.56 2.20 -0.27 3.45 0.00 -0.98 0.27 119.26 125.48 1p8g h ALA 59 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1p8g h ALA 59 Cb 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p8g h ALA 59 CO -0.11 -0.28 -0.28 0.82 0.00 0.00 0.00 179.25 179.40 1p8g h ILE 60 N 0.00 1.31 -0.05 0.00 2.04 -0.58 -3.23 117.51 116.99 1p8g h ILE 60 Ca 0.11 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1p8g h ILE 60 Cb 0.44 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1p8g h ILE 60 CO -0.00 0.46 -0.11 -0.33 0.00 0.00 0.00 178.15 178.17 1p8g h GLU 61 N 0.41 0.08 -0.25 2.37 5.08 -0.20 0.24 114.58 122.30 1p8g h GLU 61 Ca 0.04 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1p8g h GLU 61 Cb 0.85 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1p8g h GLU 61 CO 0.07 0.19 -0.12 0.22 -1.00 0.00 0.00 179.01 178.37 1p8g h ASP 62 N 0.08 -0.41 0.00 1.42 3.58 -0.84 -3.37 116.42 116.88 1p8g h ASP 62 Ca 0.02 0.10 -0.25 0.00 0.42 0.00 0.00 57.03 57.32 1p8g h ASP 62 Cb 0.25 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 1p8g h ASP 62 CO 0.02 -0.16 -1.34 1.67 -2.88 0.00 0.00 179.24 176.55 1p8g n GLN 63 N -5.29 0.57 -3.05 0.28 0.00 -0.51 -4.93 117.38 104.46 1p8g n GLN 63 Ca -0.01 0.56 0.03 0.00 -0.00 0.00 0.00 57.00 57.58 1p8g n GLN 63 Cb 0.20 -1.74 -0.00 0.00 0.00 0.00 0.00 30.24 28.71 1p8g n GLN 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1p8g s GLY 64 N -4.91 -1.27 -0.52 1.69 0.00 0.73 -5.10 107.32 97.93 1p8g s GLY 64 Ca -0.29 1.16 -0.27 0.00 0.00 0.00 0.00 44.72 45.32 1p8g s GLY 64 CO 0.59 3.98 2.01 -2.52 0.00 0.00 0.00 173.10 177.16 1p8g s TYR 65 N 2.33 1.51 -0.47 1.90 1.13 -1.23 -4.56 117.35 117.96 1p8g s TYR 65 Ca 0.17 0.96 0.06 0.00 -1.41 0.00 0.00 57.07 56.86 1p8g s TYR 65 Cb -0.02 -3.96 0.22 0.00 -1.10 0.00 0.00 41.96 37.10 1p8g s TYR 65 CO -0.17 -2.54 0.69 -0.25 -2.51 0.00 0.00 175.55 170.78 1p8g n ASP 66 N 13.15 -2.13 -2.85 -0.18 8.00 -1.26 -4.87 116.55 126.41 1p8g n ASP 66 Ca 0.25 -2.94 -0.08 0.00 0.71 0.00 0.00 54.79 52.73 1p8g n ASP 66 Cb 0.52 0.99 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 1p8g n ASP 66 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1p8g n VAL 67 N 2.15 -0.18 -0.24 2.53 3.14 -1.26 -4.38 118.33 120.10 1p8g n VAL 67 Ca 0.17 -1.52 -0.06 0.00 -2.96 0.00 0.00 64.34 59.97 1p8g n VAL 67 Cb 0.57 0.67 -0.06 0.00 -1.06 0.00 0.00 33.84 33.96 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 2.59 -0.36 0.00 1.55 0.00 -0.44 -4.92 120.51 118.92 1p8g n ALA 68 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1p8g n ALA 68 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.48 -2.20 -1.92 0.00 5.02 -1.07 -4.99 118.16 108.53 1p8g n LYS 69 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1p8g n LYS 69 Cb 0.15 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.13 1p8g n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p8g s ILE 70 N -1.90 3.15 0.09 -0.18 -1.09 -1.26 0.24 121.20 120.24 1p8g s ILE 70 Ca 0.00 0.48 -0.31 0.00 -2.23 0.00 0.00 60.65 58.59 1p8g s ILE 70 Cb 0.00 -3.31 -0.15 0.00 -1.58 0.00 0.00 42.46 37.42 1p8g s ILE 70 CO 0.00 -0.01 1.63 -0.33 -1.23 0.00 0.00 174.94 174.99 1p8g h GLU 71 N 8.82 -0.70 0.00 2.79 5.08 -1.28 -3.46 114.58 125.83 1p8g h GLU 71 Ca -0.43 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1p8g h GLU 71 Cb 1.20 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1p8g h GLU 71 CO 0.94 -0.47 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 1p8g n GLY 72 N -1.44 -0.55 0.00 -3.84 0.00 -1.26 -5.07 105.19 93.03 1p8g n GLY 72 Ca -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1p8g n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36