#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 1.85 -0.31 2.12 -1.05 -0.59 -4.92 118.70 115.81 1p8g s GLU 2 Ca 0.00 -0.90 -0.28 0.00 -0.15 0.00 0.00 54.97 53.64 1p8g s GLU 2 Cb 0.00 -2.48 -0.04 0.00 -0.44 0.00 0.00 34.13 31.18 1p8g s GLU 2 CO 0.00 -0.50 2.03 -1.14 0.95 0.00 0.00 175.26 176.60 1p8g s GLN 3 N 1.40 3.11 0.23 -4.83 0.74 -1.26 -2.78 119.66 116.27 1p8g s GLN 3 Ca -0.03 1.65 0.01 0.00 0.05 0.00 0.00 55.36 57.04 1p8g s GLN 3 Cb -0.17 -4.31 -0.05 0.00 1.10 0.00 0.00 33.01 29.57 1p8g s GLN 3 CO -0.07 -2.12 0.07 0.15 -0.55 0.00 0.00 175.29 172.77 1p8g s LYS 4 N 6.23 1.33 -0.33 1.67 1.02 -0.35 -4.56 119.74 124.75 1p8g s LYS 4 Ca 0.90 -1.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1p8g s LYS 4 Cb -0.26 -0.26 0.06 0.00 -0.52 0.00 0.00 37.83 36.86 1p8g s LYS 4 CO 0.33 -0.25 0.06 0.99 -0.92 0.00 0.00 175.35 175.56 1p8g s THR 5 N -3.73 3.18 -1.27 2.17 2.01 -1.13 -0.37 115.64 116.49 1p8g s THR 5 Ca 0.34 -1.50 -0.19 0.00 0.31 0.00 0.00 61.69 60.65 1p8g s THR 5 Cb 0.07 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.70 1p8g s THR 5 CO 0.11 -0.25 1.82 0.18 -0.69 0.00 0.00 174.62 175.78 1p8g n LEU 6 N 4.64 4.57 -3.66 4.42 4.77 -1.20 -0.67 117.00 129.87 1p8g n LEU 6 Ca -0.10 -3.73 -0.51 0.00 -0.03 0.00 0.00 56.01 51.64 1p8g n LEU 6 Cb 0.43 -1.73 -0.07 0.00 -2.33 0.00 0.00 43.42 39.72 1p8g n LEU 6 CO 0.29 -0.30 0.72 1.67 -1.33 0.00 0.00 177.39 178.43 1p8g n GLN 7 N 8.22 0.00 -4.80 3.23 0.00 0.22 -4.61 117.38 119.64 1p8g n GLN 7 Ca 0.48 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 57.22 1p8g n GLN 7 Cb 0.46 -1.18 -0.16 0.00 0.00 0.00 0.00 30.24 29.35 1p8g n GLN 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1p8g s VAL 8 N 1.38 1.40 -2.75 1.69 0.11 -1.26 0.20 120.40 121.16 1p8g s VAL 8 Ca 0.78 -0.68 0.24 0.00 -2.93 0.00 0.00 61.98 59.39 1p8g s VAL 8 Cb -1.11 -1.21 0.32 0.00 -1.53 0.00 0.00 36.38 32.85 1p8g s VAL 8 CO 0.56 0.41 1.38 -1.84 -3.33 0.00 0.00 175.10 172.28 1p8g n GLU 9 N 3.31 2.24 0.00 1.54 0.28 -1.26 -4.79 120.64 121.96 1p8g n GLU 9 Ca -0.19 -1.83 0.00 0.00 -0.16 0.00 0.00 57.16 54.98 1p8g n GLU 9 Cb 0.53 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1p8g n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1p8g n GLY 10 N 1.35 0.95 0.00 -1.84 0.00 -1.26 -5.03 105.19 99.36 1p8g n GLY 10 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.00 0.07 1.61 2.81 -1.26 -4.78 117.12 115.57 1p8g n MET 11 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1p8g n MET 11 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.00 -1.32 -4.51 7.83 2.88 -1.26 -4.90 113.62 112.35 1p8g n SER 12 Ca 0.00 0.31 -0.14 0.00 -1.33 0.00 0.00 58.87 57.71 1p8g n SER 12 Cb 0.00 1.51 -0.11 0.00 -0.75 0.00 0.00 64.21 64.86 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8g n GLN 14 N 7.61 -4.69 -0.98 0.00 3.00 -1.26 -4.83 117.38 116.23 1p8g n GLN 14 Ca 0.48 0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 57.60 1p8g n GLN 14 Cb 0.37 -5.13 -0.07 0.00 0.00 0.00 0.00 30.24 25.41 1p8g n GLN 14 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1p8g n HIS 15 N -4.41 1.41 -3.96 1.08 -0.00 -0.01 -4.15 115.22 105.17 1p8g n HIS 15 Ca -0.19 -1.50 -0.10 0.00 -0.00 0.00 0.00 57.72 55.93 1p8g n HIS 15 Cb 0.63 -1.47 -0.03 0.00 -0.00 0.00 0.00 29.99 29.11 1p8g n HIS 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1p8g n VAL 17 N -0.45 3.10 0.00 0.00 0.31 -1.26 -3.50 118.33 116.53 1p8g n VAL 17 Ca -0.03 -3.19 0.00 0.00 -0.01 0.00 0.00 64.34 61.11 1p8g n VAL 17 Cb 0.61 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 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 8.23 0.00 0.22 5.55 2.85 -1.26 -4.99 118.16 128.77 1p8g n LYS 18 Ca 0.48 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.58 1p8g n LYS 18 Cb 0.46 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.76 1p8g n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p8g h ALA 19 N 0.00 -0.68 0.00 0.58 0.00 -1.72 0.16 119.26 117.60 1p8g h ALA 19 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1p8g h ALA 19 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1p8g h ALA 19 CO 0.00 -0.91 0.00 0.28 0.00 0.00 0.00 179.25 178.62 1p8g n VAL 20 N -5.43 0.95 0.00 0.00 0.31 -1.26 -3.10 118.33 109.80 1p8g n VAL 20 Ca -0.10 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1p8g n VAL 20 Cb 0.33 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1p8g n VAL 20 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1p8g n GLU 21 N -1.54 0.00 -0.29 5.55 0.00 -0.38 -4.18 120.64 119.80 1p8g n GLU 21 Ca 0.04 0.40 0.10 0.00 0.00 0.00 0.00 57.16 57.70 1p8g n GLU 21 Cb 0.18 -0.90 0.20 0.00 0.00 0.00 0.00 31.44 30.92 1p8g n GLU 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1p8g n THR 22 N -1.79 -0.34 0.29 6.31 -2.24 0.41 -0.45 114.28 116.45 1p8g n THR 22 Ca 0.00 1.83 -0.17 0.00 -2.27 0.00 0.00 64.05 63.44 1p8g n THR 22 Cb 0.00 -2.62 -0.09 0.00 -2.10 0.00 0.00 70.33 65.52 1p8g n THR 22 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1p8g h SER 23 N 0.00 -1.08 -0.57 3.42 0.02 -1.76 -0.77 113.55 112.82 1p8g h SER 23 Ca 0.46 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.40 1p8g h SER 23 Cb 0.87 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1p8g h SER 23 CO -0.80 -0.58 -0.01 0.58 -1.14 0.00 0.00 176.83 174.88 1p8g h VAL 24 N -0.89 1.27 0.00 2.27 2.07 -1.13 -2.20 116.25 117.64 1p8g h VAL 24 Ca -0.05 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1p8g h VAL 24 Cb 0.76 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1p8g h VAL 24 CO -0.02 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1p8g n GLY 25 N -0.39 -0.09 0.09 2.17 0.00 0.40 -1.54 105.19 105.83 1p8g n GLY 25 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.11 -6.20 1.61 4.39 -0.48 -3.46 114.58 110.55 1p8g h GLU 26 Ca 0.00 -0.20 -0.56 0.00 0.34 0.00 0.00 59.36 58.94 1p8g h GLU 26 Cb 0.00 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1p8g h GLU 26 CO 0.00 0.98 0.97 -0.51 -1.16 0.00 0.00 179.01 179.29 1p8g s LEU 27 N -6.75 4.17 0.43 1.33 1.43 -0.59 -4.88 118.68 113.83 1p8g s LEU 27 Ca -0.04 1.79 0.20 0.00 -1.03 0.00 0.00 54.13 55.05 1p8g s LEU 27 Cb 0.08 -3.54 1.14 0.00 0.03 0.00 0.00 46.19 43.90 1p8g s LEU 27 CO 0.84 -0.87 1.85 -0.78 0.23 0.00 0.00 176.35 177.62 1p8g h ASP 28 N 8.83 0.36 0.42 2.29 3.58 -1.89 0.78 116.42 130.80 1p8g h ASP 28 Ca -0.30 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1p8g h ASP 28 Cb 1.13 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1p8g h ASP 28 CO 0.97 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 178.08 1p8g n GLY 29 N -1.54 -1.00 3.71 -0.78 0.00 -1.26 -4.80 105.19 99.52 1p8g n GLY 29 Ca 0.20 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.61 2.71 0.00 1.61 0.11 0.27 -0.76 120.40 121.73 1p8g s VAL 30 Ca 0.19 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1p8g s VAL 30 Cb 0.14 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1p8g s VAL 30 CO 0.32 -0.30 0.00 -0.24 -3.33 0.00 0.00 175.10 171.55 1p8g n SER 31 N -3.92 0.54 -4.00 3.54 2.88 0.12 -4.83 113.62 107.95 1p8g n SER 31 Ca 0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.51 1p8g n SER 31 Cb 0.54 0.00 -0.12 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 -1.63 0.29 -0.38 -1.46 0.00 0.46 -4.92 121.76 114.12 1p8g s ALA 32 Ca 0.00 -0.59 0.12 0.00 0.00 0.00 0.00 51.96 51.50 1p8g s ALA 32 Cb 0.00 0.09 0.38 0.00 0.00 0.00 0.00 23.12 23.59 1p8g s ALA 32 CO 0.00 -0.08 0.94 1.33 0.00 0.00 0.00 175.76 177.95 1p8g n VAL 33 N 1.74 0.22 -2.02 0.00 0.24 -1.22 -1.15 118.33 116.14 1p8g n VAL 33 Ca -0.22 -3.20 -0.42 0.00 -2.04 0.00 0.00 64.34 58.46 1p8g n VAL 33 Cb 0.55 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 0.08 3.36 -1.77 6.34 8.25 0.82 -4.89 115.22 127.42 1p8g n HIS 34 Ca 0.13 -2.91 -0.42 0.00 -0.26 0.00 0.00 57.72 54.27 1p8g n HIS 34 Cb 0.74 -2.31 -0.03 0.00 1.12 0.00 0.00 29.99 29.51 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 2.09 2.71 -0.38 1.59 0.11 -1.26 -0.60 120.40 124.65 1p8g s VAL 35 Ca 0.44 0.16 0.11 0.00 -2.93 0.00 0.00 61.98 59.76 1p8g s VAL 35 Cb 0.12 -3.10 0.33 0.00 -1.53 0.00 0.00 36.38 32.19 1p8g s VAL 35 CO -0.05 -0.00 0.70 0.59 -3.33 0.00 0.00 175.10 173.02 1p8g n ASN 36 N 5.86 0.53 0.23 3.54 4.13 -0.87 -4.86 115.26 123.81 1p8g n ASN 36 Ca 0.17 -2.97 0.17 0.00 1.68 0.00 0.00 54.58 53.63 1p8g n ASN 36 Cb 0.39 -0.50 0.85 0.00 -1.54 0.00 0.00 39.78 38.99 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 3.22 0.00 -1.33 3.41 8.10 -1.91 0.20 115.31 127.01 1p8g h LEU 37 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.07 1p8g h LEU 37 Cb 0.96 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.15 1p8g h LEU 37 CO 0.48 0.00 0.40 -0.08 -4.11 0.00 0.00 178.44 175.13 1p8g h GLU 38 N 0.00 0.86 0.00 0.17 4.81 -1.92 -2.31 114.58 116.19 1p8g h GLU 38 Ca 0.07 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1p8g h GLU 38 Cb 0.40 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1p8g h GLU 38 CO -0.00 0.59 -1.55 0.00 -0.73 0.00 0.00 179.01 177.32 1p8g h ALA 39 N 1.57 0.71 0.00 2.92 0.00 -1.16 -3.48 119.26 119.81 1p8g h ALA 39 Ca 0.23 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1p8g h ALA 39 Cb -0.06 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1p8g h ALA 39 CO -0.05 1.39 0.00 0.41 0.00 0.00 0.00 179.25 181.00 1p8g n GLY 40 N 1.49 0.99 2.86 0.00 0.00 0.32 -5.08 105.19 105.78 1p8g n GLY 40 Ca -0.13 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.70 1.00 -0.36 1.61 -0.14 -1.09 -4.45 119.74 115.61 1p8g s LYS 41 Ca 0.00 -0.09 -0.04 0.00 -1.36 0.00 0.00 55.97 54.48 1p8g s LYS 41 Cb 0.00 -1.13 0.08 0.00 -1.68 0.00 0.00 37.83 35.10 1p8g s LYS 41 CO 0.00 -0.20 0.13 0.54 -0.76 0.00 0.00 175.35 175.05 1p8g s VAL 42 N 1.49 3.36 -0.89 3.17 0.11 -1.26 -2.06 120.40 124.32 1p8g s VAL 42 Ca -0.01 -1.62 -0.25 0.00 -2.93 0.00 0.00 61.98 57.17 1p8g s VAL 42 Cb -0.13 -3.09 0.03 0.00 -1.53 0.00 0.00 36.38 31.65 1p8g s VAL 42 CO -0.04 -0.40 1.48 -0.62 -3.33 0.00 0.00 175.10 172.20 1p8g s ASP 43 N 1.60 6.16 -0.34 3.54 2.15 0.23 -3.24 116.67 126.76 1p8g s ASP 43 Ca 0.02 -0.93 -0.06 0.00 0.43 0.00 0.00 52.55 52.01 1p8g s ASP 43 Cb -0.21 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1p8g s ASP 43 CO -0.01 -1.81 0.11 0.68 -0.17 0.00 0.00 175.17 173.96 1p8g s VAL 44 N 6.07 3.72 -0.25 1.11 -7.23 0.50 -0.13 120.40 124.19 1p8g s VAL 44 Ca 0.47 -1.20 -0.10 0.00 -1.81 0.00 0.00 61.98 59.33 1p8g s VAL 44 Cb -0.04 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 1p8g s VAL 44 CO 0.01 -0.21 0.16 -0.55 -0.31 0.00 0.00 175.10 174.20 1p8g s SER 45 N 1.45 6.02 0.12 4.85 0.15 -0.30 -1.21 113.70 124.78 1p8g s SER 45 Ca -0.01 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 1p8g s SER 45 Cb -0.20 -2.10 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1p8g s SER 45 CO 0.02 0.03 0.30 0.72 1.20 0.00 0.00 173.24 175.51 1p8g s PHE 46 N 1.29 0.03 -0.98 3.44 -0.12 -1.12 0.11 117.98 120.64 1p8g s PHE 46 Ca 0.07 -0.41 -0.15 0.00 -0.05 0.00 0.00 56.93 56.39 1p8g s PHE 46 Cb -0.14 0.09 0.18 0.00 -0.63 0.00 0.00 43.02 42.52 1p8g s PHE 46 CO 0.06 -0.65 1.09 0.34 -0.05 0.00 0.00 175.22 176.01 1p8g s ASP 47 N -2.85 6.84 0.58 1.98 -1.08 0.06 -1.54 116.67 120.67 1p8g s ASP 47 Ca 0.06 -2.61 0.30 0.00 -0.52 0.00 0.00 52.55 49.78 1p8g s ASP 47 Cb 0.03 -2.32 1.44 0.00 -1.46 0.00 0.00 42.92 40.61 1p8g s ASP 47 CO -0.09 -0.77 1.85 0.00 0.52 0.00 0.00 175.17 176.68 1p8g h ALA 48 N 7.93 2.43 -0.75 3.66 0.00 -1.88 -1.24 119.26 129.42 1p8g h ALA 48 Ca 0.18 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1p8g h ALA 48 Cb 0.98 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1p8g h ALA 48 CO 1.02 -0.91 -0.42 0.22 0.00 0.00 0.00 179.25 179.16 1p8g h ASP 49 N 0.00 -1.48 0.01 0.00 3.58 -1.98 -3.14 116.42 113.42 1p8g h ASP 49 Ca 0.30 0.27 -0.39 0.00 0.42 0.00 0.00 57.03 57.63 1p8g h ASP 49 Cb 1.47 0.71 -0.06 0.00 1.72 0.00 0.00 39.33 43.17 1p8g h ASP 49 CO -0.00 -0.31 -2.43 1.17 -2.88 0.00 0.00 179.24 174.80 1p8g n LYS 50 N -5.42 0.66 -3.76 0.28 4.81 -0.53 -4.80 118.16 109.40 1p8g n LYS 50 Ca 0.05 0.16 -0.30 0.00 -0.87 0.00 0.00 58.31 57.35 1p8g n LYS 50 Cb 0.36 -1.54 -0.15 0.00 0.02 0.00 0.00 35.03 33.72 1p8g n LYS 50 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1p8g s VAL 51 N -2.52 0.95 0.64 3.15 -7.23 -0.83 -5.13 120.40 109.43 1p8g s VAL 51 Ca -0.33 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 1p8g s VAL 51 Cb 0.09 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 1p8g s VAL 51 CO 0.63 -0.59 1.26 -1.20 -0.31 0.00 0.00 175.10 174.89 1p8g n SER 52 N 4.83 1.96 -0.28 4.85 7.64 -1.19 -3.55 113.62 127.89 1p8g n SER 52 Ca -0.03 0.83 0.16 0.00 1.01 0.00 0.00 58.87 60.84 1p8g n SER 52 Cb 0.43 -1.54 0.31 0.00 -1.01 0.00 0.00 64.21 62.40 1p8g n SER 52 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1p8g n VAL 53 N -1.87 -0.35 0.08 0.44 0.24 -1.26 0.78 118.33 116.39 1p8g n VAL 53 Ca 0.16 1.80 -0.13 0.00 -2.04 0.00 0.00 64.34 64.12 1p8g n VAL 53 Cb 0.48 -2.70 -0.07 0.00 -1.47 0.00 0.00 33.84 30.08 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 -0.11 -0.87 7.34 3.11 -1.99 -0.15 116.57 123.90 1p8g h LYS 54 Ca 0.56 0.01 0.22 0.00 -2.81 0.00 0.00 60.65 58.62 1p8g h LYS 54 Cb 1.26 0.03 -0.13 0.00 -1.00 0.00 0.00 32.23 32.39 1p8g h LYS 54 CO -0.75 -0.07 0.32 0.22 -2.81 0.00 0.00 179.45 176.37 1p8g h ASP 55 N -0.12 0.20 -0.42 4.20 1.82 0.06 0.34 116.42 122.50 1p8g h ASP 55 Ca -0.01 0.16 -0.06 0.00 -0.39 0.00 0.00 57.03 56.73 1p8g h ASP 55 Cb 0.10 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1p8g h ASP 55 CO 0.02 -0.05 0.04 0.40 -1.61 0.00 0.00 179.24 178.04 1p8g h ILE 56 N 0.33 1.25 -0.61 2.25 1.08 -0.69 -0.02 117.51 121.11 1p8g h ILE 56 Ca 0.54 -0.94 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1p8g h ILE 56 Cb 1.02 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 1p8g h ILE 56 CO -0.56 0.32 0.37 0.00 -0.69 0.00 0.00 178.15 177.60 1p8g h ALA 57 N 0.92 0.79 -0.84 1.87 0.00 0.11 -1.67 119.26 120.44 1p8g h ALA 57 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1p8g h ALA 57 Cb 0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1p8g h ALA 57 CO 0.01 0.11 0.55 -0.44 0.00 0.00 0.00 179.25 179.48 1p8g h ASP 58 N 0.73 0.93 -0.50 0.00 3.32 -0.05 0.19 116.42 121.03 1p8g h ASP 58 Ca 0.24 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.39 1p8g h ASP 58 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1p8g h ASP 58 CO -0.10 0.65 0.35 0.00 -1.72 0.00 0.00 179.24 178.42 1p8g h ALA 59 N 1.33 2.18 -0.28 3.45 0.00 -0.10 0.33 119.26 126.18 1p8g h ALA 59 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1p8g h ALA 59 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1p8g h ALA 59 CO -0.10 -0.31 0.06 0.82 0.00 0.00 0.00 179.25 179.73 1p8g h ILE 60 N 0.22 1.22 0.00 0.00 5.03 -0.03 -3.12 117.51 120.82 1p8g h ILE 60 Ca 0.24 -0.74 -0.02 0.00 -0.12 0.00 0.00 64.86 64.22 1p8g h ILE 60 Cb 0.64 1.18 -0.00 0.00 -3.03 0.00 0.00 36.82 35.61 1p8g h ILE 60 CO -0.04 0.24 -0.08 -0.33 -0.68 0.00 0.00 178.15 177.26 1p8g h GLU 61 N 0.28 0.00 -0.58 2.37 5.08 0.31 0.16 114.58 122.20 1p8g h GLU 61 Ca 0.09 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.58 1p8g h GLU 61 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1p8g h GLU 61 CO 0.00 0.08 0.40 -0.44 -1.00 0.00 0.00 179.01 178.05 1p8g h ASP 62 N 0.00 0.17 0.00 1.42 5.19 -0.70 -3.37 116.42 119.13 1p8g h ASP 62 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1p8g h ASP 62 Cb 0.15 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1p8g h ASP 62 CO 0.01 0.09 -0.24 1.67 -3.12 0.00 0.00 179.24 177.65 1p8g n GLN 63 N -4.43 0.13 0.00 3.56 7.27 -0.07 -5.10 117.38 118.74 1p8g n GLN 63 Ca 0.10 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.22 1p8g n GLN 63 Cb 0.52 -0.60 0.00 0.00 2.41 0.00 0.00 30.24 32.57 1p8g n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p8g n GLY 64 N 2.34 4.32 2.56 1.69 0.00 0.35 -5.09 105.19 111.36 1p8g n GLY 64 Ca -0.03 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.76 -3.19 1.61 4.01 -1.26 -3.99 117.16 113.57 1p8g n TYR 65 Ca 0.00 -2.71 -0.24 0.00 -0.16 0.00 0.00 57.90 54.79 1p8g n TYR 65 Cb 0.00 0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.02 2.08 -3.33 7.72 9.92 -1.26 -4.94 116.55 126.71 1p8g n ASP 66 Ca 0.10 -3.16 -0.12 0.00 -0.53 0.00 0.00 54.79 51.08 1p8g n ASP 66 Cb 0.76 -0.63 -0.07 0.00 -0.64 0.00 0.00 41.12 40.55 1p8g n ASP 66 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p8g s VAL 67 N -2.48 -0.53 0.00 2.53 0.11 -1.26 -4.59 120.40 114.18 1p8g s VAL 67 Ca 0.40 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1p8g s VAL 67 Cb 0.23 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1p8g s VAL 67 CO -0.08 -0.38 0.70 0.00 -3.33 0.00 0.00 175.10 172.01 1p8g n ALA 68 N 4.97 -0.15 0.00 1.54 0.00 0.13 -4.95 120.51 122.05 1p8g n ALA 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1p8g n ALA 68 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.30 -2.30 -2.08 0.00 4.81 -0.69 -4.97 118.16 111.63 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 -2.56 3.70 -0.36 3.15 -1.09 -1.26 0.71 121.20 123.49 1p8g s ILE 70 Ca 0.00 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.27 1p8g s ILE 70 Cb 0.00 -3.54 0.11 0.00 -1.58 0.00 0.00 42.46 37.45 1p8g s ILE 70 CO 0.00 -0.07 0.14 -0.70 -1.23 0.00 0.00 174.94 173.07 1p8g s GLU 71 N 3.95 1.05 0.00 2.79 -6.30 0.15 -4.88 118.70 115.46 1p8g s GLU 71 Ca 0.70 -1.54 0.00 0.00 -2.50 0.00 0.00 54.97 51.63 1p8g s GLU 71 Cb -0.31 -2.33 0.00 0.00 0.00 0.00 0.00 34.13 31.49 1p8g s GLU 71 CO 0.27 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1p8g n GLY 72 N 4.29 -1.50 0.84 -1.50 0.00 -1.26 -4.39 105.19 101.67 1p8g n GLY 72 Ca 0.03 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.60 1p8g n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86