#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 0.77 -0.52 2.12 -1.05 -0.49 -4.91 118.70 114.62 1p8g s GLU 2 Ca 0.00 0.45 -0.23 0.00 -0.15 0.00 0.00 54.97 55.04 1p8g s GLU 2 Cb 0.00 0.37 0.04 0.00 -0.44 0.00 0.00 34.13 34.10 1p8g s GLU 2 CO 0.00 -0.17 0.84 1.14 0.95 0.00 0.00 175.26 178.02 1p8g s GLN 3 N -0.44 3.29 0.32 -4.83 0.00 -1.26 -1.18 119.66 115.57 1p8g s GLN 3 Ca -0.06 -0.38 0.04 0.00 -0.00 0.00 0.00 55.36 54.96 1p8g s GLN 3 Cb -0.03 -4.04 -0.03 0.00 0.00 0.00 0.00 33.01 28.90 1p8g s GLN 3 CO 0.04 -1.35 0.19 0.15 0.00 0.00 0.00 175.29 174.32 1p8g s LYS 4 N 3.50 1.68 -0.30 9.60 1.02 -0.37 -4.86 119.74 130.01 1p8g s LYS 4 Ca 0.27 -1.97 -0.00 0.00 0.02 0.00 0.00 55.97 54.28 1p8g s LYS 4 Cb -0.14 -0.03 0.06 0.00 -0.52 0.00 0.00 37.83 37.20 1p8g s LYS 4 CO 0.18 -0.51 -0.00 0.99 -0.92 0.00 0.00 175.35 175.09 1p8g s THR 5 N -3.52 2.80 -1.27 2.17 2.01 -1.25 -0.39 115.64 116.19 1p8g s THR 5 Ca 0.35 -1.57 -0.19 0.00 0.31 0.00 0.00 61.69 60.59 1p8g s THR 5 Cb 0.04 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1p8g s THR 5 CO 0.20 -0.18 1.81 0.18 -0.69 0.00 0.00 174.62 175.93 1p8g n LEU 6 N 4.55 4.41 -4.09 4.42 4.77 -1.21 -0.60 117.00 129.25 1p8g n LEU 6 Ca -0.11 -3.70 -0.58 0.00 -0.03 0.00 0.00 56.01 51.60 1p8g n LEU 6 Cb 0.43 -1.74 -0.08 0.00 -2.33 0.00 0.00 43.42 39.69 1p8g n LEU 6 CO 0.26 -0.43 0.90 1.67 -1.33 0.00 0.00 177.39 178.45 1p8g n GLN 7 N 8.32 0.00 -5.11 3.23 0.00 0.23 -4.66 117.38 119.39 1p8g n GLN 7 Ca 0.48 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 57.19 1p8g n GLN 7 Cb 0.46 -1.31 -0.16 0.00 0.00 0.00 0.00 30.24 29.24 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 2.06 1.78 -0.37 1.69 0.11 -1.26 0.27 120.40 124.68 1p8g s VAL 8 Ca 0.89 -0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 58.84 1p8g s VAL 8 Cb -1.26 -1.48 0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1p8g s VAL 8 CO 0.67 0.50 0.22 -0.70 -3.33 0.00 0.00 175.10 172.46 1p8g s GLU 9 N -0.55 3.07 -0.32 1.54 2.56 -1.26 -4.79 118.70 118.95 1p8g s GLU 9 Ca 0.09 -0.92 -0.28 0.00 0.00 0.00 0.00 54.97 53.86 1p8g s GLU 9 Cb -0.09 -3.77 -0.04 0.00 2.00 0.00 0.00 34.13 32.23 1p8g s GLU 9 CO -0.01 -0.61 2.12 0.20 -0.56 0.00 0.00 175.26 176.39 1p8g s GLY 10 N 1.62 0.39 -0.01 -1.50 0.00 -1.26 -4.67 107.32 101.90 1p8g s GLY 10 Ca 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 1p8g s GLY 10 CO 0.08 3.70 -0.02 1.03 0.00 0.00 0.00 173.10 177.89 1p8g n MET 11 N 8.75 0.03 -2.58 2.90 2.81 -1.26 -5.04 117.12 122.73 1p8g n MET 11 Ca 0.29 0.10 -0.30 0.00 -1.81 0.00 0.00 57.70 55.98 1p8g n MET 11 Cb 0.48 -0.65 -0.02 0.00 -0.71 0.00 0.00 33.22 32.31 1p8g n MET 11 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1p8g s SER 12 N -3.96 6.48 0.04 7.83 0.15 -1.26 -5.01 113.70 117.97 1p8g s SER 12 Ca -0.02 1.26 -0.17 0.00 0.70 0.00 0.00 55.95 57.72 1p8g s SER 12 Cb 0.00 -2.38 -0.24 0.00 -1.71 0.00 0.00 66.02 61.69 1p8g s SER 12 CO 0.02 -0.53 1.14 0.00 1.20 0.00 0.00 173.24 175.07 1p8g s GLN 14 N -3.22 1.40 -2.11 0.00 -1.52 -1.26 -4.87 119.66 108.08 1p8g s GLN 14 Ca -0.11 -1.44 0.00 0.00 -1.95 0.00 0.00 55.36 51.86 1p8g s GLN 14 Cb 0.05 0.38 0.00 0.00 -0.22 0.00 0.00 33.01 33.22 1p8g s GLN 14 CO 0.88 -0.53 0.00 1.58 -0.25 0.00 0.00 175.29 176.96 1p8g n HIS 15 N -0.34 -0.06 -0.09 0.91 -0.00 -1.26 -4.83 115.22 109.55 1p8g n HIS 15 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1p8g n HIS 15 Cb 0.64 -3.38 -0.10 0.00 -0.12 0.00 0.00 29.99 27.03 1p8g n HIS 15 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1p8g n VAL 17 N -2.89 1.88 0.00 0.00 0.24 -1.26 -1.35 118.33 114.95 1p8g n VAL 17 Ca -0.31 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 1p8g n VAL 17 Cb 0.92 -2.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 1p8g n VAL 17 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1p8g n LYS 18 N 4.96 0.00 -0.05 7.34 -0.00 -1.26 -4.95 118.16 124.20 1p8g n LYS 18 Ca 0.39 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.60 1p8g n LYS 18 Cb 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.17 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 0.00 0.26 0.00 0.58 0.00 -1.41 0.32 119.26 119.01 1p8g h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p8g h ALA 19 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p8g h ALA 19 CO 0.00 -0.29 0.00 0.28 0.00 0.00 0.00 179.25 179.24 1p8g n VAL 20 N -4.98 0.94 -0.00 0.00 0.31 -1.24 -3.43 118.33 109.93 1p8g n VAL 20 Ca -0.03 0.34 -0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1p8g n VAL 20 Cb 0.05 -1.27 -0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.12 0.01 -0.31 5.55 2.13 0.21 -4.23 120.64 121.88 1p8g n GLU 21 Ca 0.01 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1p8g n GLU 21 Cb 0.17 -0.74 0.05 0.00 0.27 0.00 0.00 31.44 31.19 1p8g n GLU 21 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1p8g n THR 22 N -2.32 -0.42 0.01 6.31 -1.04 0.87 0.16 114.28 117.85 1p8g n THR 22 Ca -0.00 1.92 -0.11 0.00 -2.04 0.00 0.00 64.05 63.82 1p8g n THR 22 Cb 0.01 -2.56 -0.05 0.00 -1.82 0.00 0.00 70.33 65.91 1p8g n THR 22 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1p8g h SER 23 N 0.00 -1.08 1.19 8.00 0.02 -1.79 0.49 113.55 120.38 1p8g h SER 23 Ca 0.31 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1p8g h SER 23 Cb 0.51 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1p8g h SER 23 CO -0.82 -0.38 0.00 0.58 -1.14 0.00 0.00 176.83 175.07 1p8g h VAL 24 N -0.43 0.00 -0.35 2.27 2.07 -0.73 -2.67 116.25 116.42 1p8g h VAL 24 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1p8g h VAL 24 Cb 0.57 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1p8g h VAL 24 CO -0.36 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.84 1p8g n GLY 25 N 0.23 0.71 0.14 2.17 0.00 0.12 -3.97 105.19 104.59 1p8g n GLY 25 Ca 0.01 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 2.03 0.29 -6.47 1.61 4.39 -0.91 -3.47 114.58 112.06 1p8g h GLU 26 Ca 0.00 -0.50 -0.53 0.00 0.34 0.00 0.00 59.36 58.67 1p8g h GLU 26 Cb 0.50 0.19 0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1p8g h GLU 26 CO 0.01 1.24 1.15 1.28 -1.16 0.00 0.00 179.01 181.53 1p8g n LEU 27 N -3.53 4.08 -0.25 1.33 7.99 -1.25 -4.86 117.00 120.50 1p8g n LEU 27 Ca -0.30 0.96 0.20 0.00 -0.01 0.00 0.00 56.01 56.86 1p8g n LEU 27 Cb 1.05 -1.54 0.52 0.00 -0.11 0.00 0.00 43.42 43.34 1p8g n LEU 27 CO 0.44 0.18 1.22 -0.78 -1.51 0.00 0.00 177.39 176.95 1p8g h ASP 28 N 9.11 0.40 -0.01 -1.43 3.58 -1.94 0.54 116.42 126.68 1p8g h ASP 28 Ca -0.47 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1p8g h ASP 28 Cb 1.23 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1p8g h ASP 28 CO 0.95 0.15 0.00 0.61 -2.88 0.00 0.00 179.24 178.07 1p8g n GLY 29 N -1.52 -0.84 3.72 -0.78 0.00 -1.26 -4.87 105.19 99.63 1p8g n GLY 29 Ca 0.20 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.44 0.00 1.61 0.11 0.18 -1.03 120.40 121.71 1p8g s VAL 30 Ca 0.44 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1p8g s VAL 30 Cb 0.21 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1p8g s VAL 30 CO 0.34 -0.14 0.00 -0.24 -3.33 0.00 0.00 175.10 171.73 1p8g n SER 31 N -3.15 1.30 -3.84 3.54 2.88 0.11 -4.87 113.62 109.59 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 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.76 -0.46 -0.38 -1.46 0.00 0.06 -4.93 121.76 112.85 1p8g s ALA 32 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.13 1p8g s ALA 32 Cb 0.00 0.06 0.36 0.00 0.00 0.00 0.00 23.12 23.55 1p8g s ALA 32 CO 0.00 -0.21 0.84 1.33 0.00 0.00 0.00 175.76 177.71 1p8g n VAL 33 N 1.53 0.03 -2.11 0.00 0.24 -1.23 -0.58 118.33 116.21 1p8g n VAL 33 Ca -0.22 -3.84 -0.42 0.00 -2.04 0.00 0.00 64.34 57.82 1p8g n VAL 33 Cb 0.56 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 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 0.22 3.98 -1.67 6.34 -0.00 0.65 -4.89 115.22 119.85 1p8g n HIS 34 Ca 0.19 -2.93 -0.43 0.00 0.46 0.00 0.00 57.72 55.01 1p8g n HIS 34 Cb 0.69 -2.55 -0.03 0.00 -0.12 0.00 0.00 29.99 27.98 1p8g n HIS 34 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1p8g n VAL 35 N 5.49 0.61 -2.88 3.57 3.14 -1.26 -1.80 118.33 125.21 1p8g n VAL 35 Ca 0.50 -0.11 -0.12 0.00 -2.96 0.00 0.00 64.34 61.65 1p8g n VAL 35 Cb 0.42 -2.20 0.04 0.00 -1.06 0.00 0.00 33.84 31.04 1p8g n VAL 35 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1p8g n ASN 36 N 6.79 -0.47 0.32 6.55 4.13 -0.45 -4.95 115.26 127.18 1p8g n ASN 36 Ca 0.20 -3.08 0.20 0.00 1.68 0.00 0.00 54.58 53.57 1p8g n ASN 36 Cb 0.38 0.44 1.10 0.00 -1.54 0.00 0.00 39.78 40.17 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 2.84 0.00 -0.78 3.41 8.10 -1.84 0.27 115.31 127.30 1p8g h LEU 37 Ca -0.06 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.87 1p8g h LEU 37 Cb 1.10 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.29 1p8g h LEU 37 CO 0.30 0.00 0.23 -0.08 -4.11 0.00 0.00 178.44 174.77 1p8g h GLU 38 N 0.00 1.14 0.00 0.17 4.22 -1.92 -1.93 114.58 116.25 1p8g h GLU 38 Ca 0.00 -0.24 -0.15 0.00 0.08 0.00 0.00 59.36 59.05 1p8g h GLU 38 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1p8g h GLU 38 CO -0.00 0.97 -0.70 0.00 -2.18 0.00 0.00 179.01 177.10 1p8g h ALA 39 N 1.15 0.57 0.00 2.92 0.00 -1.00 -3.48 119.26 119.42 1p8g h ALA 39 Ca 0.24 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1p8g h ALA 39 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1p8g h ALA 39 CO -0.01 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1p8g n GLY 40 N 1.20 1.36 3.40 0.00 0.00 0.14 -5.10 105.19 106.20 1p8g n GLY 40 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.25 1.33 -0.29 1.61 1.02 -0.96 -4.69 119.74 117.51 1p8g s LYS 41 Ca 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 55.97 54.69 1p8g s LYS 41 Cb 0.00 0.39 0.18 0.00 -0.52 0.00 0.00 37.83 37.88 1p8g s LYS 41 CO 0.00 -0.50 0.53 0.54 -0.92 0.00 0.00 175.35 174.99 1p8g s VAL 42 N -4.04 -0.87 -0.86 3.17 0.11 -1.26 -1.34 120.40 115.31 1p8g s VAL 42 Ca 0.25 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 1p8g s VAL 42 Cb 0.03 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1p8g s VAL 42 CO 0.07 -0.09 1.34 -0.62 -3.33 0.00 0.00 175.10 172.48 1p8g s ASP 43 N 2.73 6.31 -0.33 3.54 -1.08 -0.74 -3.32 116.67 123.78 1p8g s ASP 43 Ca 0.12 -0.89 -0.03 0.00 -0.52 0.00 0.00 52.55 51.23 1p8g s ASP 43 Cb -0.12 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.83 1p8g s ASP 43 CO -0.26 -1.69 0.06 0.68 0.52 0.00 0.00 175.17 174.48 1p8g s VAL 44 N 5.37 3.28 -0.26 1.11 -7.23 0.48 -0.25 120.40 122.90 1p8g s VAL 44 Ca 0.39 -1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 59.09 1p8g s VAL 44 Cb -0.05 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1p8g s VAL 44 CO 0.04 -0.20 0.12 -0.55 -0.31 0.00 0.00 175.10 174.21 1p8g s SER 45 N 1.38 5.57 0.06 4.85 0.15 0.25 -1.23 113.70 124.73 1p8g s SER 45 Ca -0.02 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 1p8g s SER 45 Cb -0.20 -2.01 0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1p8g s SER 45 CO -0.00 -0.02 0.38 0.72 1.20 0.00 0.00 173.24 175.52 1p8g s PHE 46 N 1.56 -0.21 -1.18 3.44 -0.12 -0.33 0.09 117.98 121.24 1p8g s PHE 46 Ca 0.06 0.10 -0.20 0.00 -0.05 0.00 0.00 56.93 56.84 1p8g s PHE 46 Cb -0.15 0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1p8g s PHE 46 CO 0.06 -0.57 1.65 -0.51 -0.05 0.00 0.00 175.22 175.80 1p8g s ASP 47 N -2.15 6.57 0.31 1.98 1.01 -0.20 -1.39 116.67 122.80 1p8g s ASP 47 Ca -0.04 -1.99 0.05 0.00 0.71 0.00 0.00 52.55 51.29 1p8g s ASP 47 Cb -0.00 -2.58 0.84 0.00 1.01 0.00 0.00 42.92 42.19 1p8g s ASP 47 CO -0.04 -1.45 1.53 0.00 0.21 0.00 0.00 175.17 175.42 1p8g n ALA 48 N 9.07 0.58 -0.30 5.23 0.00 -1.24 -0.51 120.51 133.34 1p8g n ALA 48 Ca 0.43 1.03 0.13 0.00 0.00 0.00 0.00 53.44 55.04 1p8g n ALA 48 Cb 0.48 -0.80 0.29 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.06 0.06 0.00 5.19 -1.96 -2.42 116.42 117.23 1p8g h ASP 49 Ca 0.63 0.21 -0.20 0.00 -0.62 0.00 0.00 57.03 57.05 1p8g h ASP 49 Cb 1.38 0.30 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 1p8g h ASP 49 CO -0.89 -0.19 -1.02 0.50 -3.12 0.00 0.00 179.24 174.52 1p8g h LYS 50 N 0.17 0.13 -3.62 3.56 1.63 -1.20 -3.46 116.57 113.79 1p8g h LYS 50 Ca 0.56 -0.23 -0.47 0.00 -0.85 0.00 0.00 60.65 59.66 1p8g h LYS 50 Cb 1.15 0.08 -0.39 0.00 -0.60 0.00 0.00 32.23 32.47 1p8g h LYS 50 CO -0.69 1.11 -0.77 0.08 -3.45 0.00 0.00 179.45 175.73 1p8g s VAL 51 N -2.39 0.43 0.41 2.00 1.01 -0.74 -5.13 120.40 115.98 1p8g s VAL 51 Ca -0.21 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1p8g s VAL 51 Cb 0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 1p8g s VAL 51 CO 0.71 0.04 1.15 -0.44 0.00 0.00 0.00 175.10 176.56 1p8g s SER 52 N 1.93 6.50 0.06 3.32 0.01 -0.95 -3.68 113.70 120.89 1p8g s SER 52 Ca 0.02 2.30 -0.06 0.00 1.31 0.00 0.00 55.95 59.53 1p8g s SER 52 Cb -0.14 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.53 1p8g s SER 52 CO -0.07 -0.69 0.43 0.52 0.41 0.00 0.00 173.24 173.85 1p8g n VAL 53 N -0.03 -0.15 -0.03 3.43 0.31 -1.26 0.98 118.33 121.58 1p8g n VAL 53 Ca 0.05 0.65 -0.11 0.00 -0.01 0.00 0.00 64.34 64.92 1p8g n VAL 53 Cb 0.47 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 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 -0.39 -0.95 5.55 3.64 -1.98 0.17 116.57 122.61 1p8g h LYS 54 Ca 0.09 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1p8g h LYS 54 Cb 0.16 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1p8g h LYS 54 CO -0.27 -0.26 0.61 -0.44 -2.27 0.00 0.00 179.45 176.82 1p8g h ASP 55 N -0.41 0.92 -0.36 4.20 3.32 0.28 0.25 116.42 124.62 1p8g h ASP 55 Ca 0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1p8g h ASP 55 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1p8g h ASP 55 CO -0.36 0.56 0.20 0.40 -1.72 0.00 0.00 179.24 178.33 1p8g h ILE 56 N 1.03 1.14 -0.23 0.35 1.08 0.15 0.14 117.51 121.16 1p8g h ILE 56 Ca 0.42 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1p8g h ILE 56 Cb 0.29 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1p8g h ILE 56 CO -0.18 0.14 0.13 0.00 -0.69 0.00 0.00 178.15 177.55 1p8g h ALA 57 N 1.07 0.30 -0.50 1.87 0.00 0.11 -2.35 119.26 119.75 1p8g h ALA 57 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1p8g h ALA 57 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1p8g h ALA 57 CO -0.02 -0.18 0.34 -0.44 0.00 0.00 0.00 179.25 178.95 1p8g h ASP 58 N 0.28 0.45 -0.53 0.00 3.32 -0.25 0.19 116.42 119.88 1p8g h ASP 58 Ca 0.08 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1p8g h ASP 58 Cb 0.05 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1p8g h ASP 58 CO -0.01 0.30 0.36 0.00 -1.72 0.00 0.00 179.24 178.17 1p8g h ALA 59 N 1.72 2.02 -0.02 3.45 0.00 -0.41 0.29 119.26 126.31 1p8g h ALA 59 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p8g h ALA 59 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1p8g h ALA 59 CO -0.05 -0.13 0.00 0.82 0.00 0.00 0.00 179.25 179.89 1p8g h ILE 60 N 0.36 1.18 -0.47 0.00 5.03 -0.60 -3.11 117.51 119.90 1p8g h ILE 60 Ca 0.24 -0.54 0.10 0.00 -0.12 0.00 0.00 64.86 64.55 1p8g h ILE 60 Cb 0.48 1.51 -0.02 0.00 -3.03 0.00 0.00 36.82 35.75 1p8g h ILE 60 CO -0.06 0.14 0.32 -0.08 -0.68 0.00 0.00 178.15 177.80 1p8g h GLU 61 N -0.19 0.19 0.00 2.37 4.81 -0.41 0.40 114.58 121.74 1p8g h GLU 61 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1p8g h GLU 61 Cb 0.23 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1p8g h GLU 61 CO 0.00 0.12 -0.03 0.22 -0.73 0.00 0.00 179.01 178.59 1p8g h ASP 62 N 0.19 0.00 0.00 1.04 3.58 -0.52 -3.36 116.42 117.35 1p8g h ASP 62 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1p8g h ASP 62 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1p8g h ASP 62 CO -0.04 0.03 -0.21 1.67 -2.88 0.00 0.00 179.24 177.82 1p8g n GLN 63 N -3.50 0.11 0.00 0.28 7.27 0.31 -5.10 117.38 116.74 1p8g n GLN 63 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1p8g n GLN 63 Cb 0.14 -0.57 0.00 0.00 2.41 0.00 0.00 30.24 32.21 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 2.83 4.01 2.69 1.69 0.00 0.11 -5.12 105.19 111.41 1p8g n GLY 64 Ca -0.03 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 1p8g n GLY 64 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1p8g n TYR 65 N 0.00 -1.92 -3.22 1.61 0.18 -1.26 -4.00 117.16 108.55 1p8g n TYR 65 Ca 0.00 -1.60 -0.25 0.00 1.88 0.00 0.00 57.90 57.93 1p8g n TYR 65 Cb 0.00 1.49 -0.06 0.00 -0.38 0.00 0.00 39.34 40.39 1p8g n TYR 65 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1p8g n ASP 66 N -0.46 2.61 -3.39 9.48 9.92 -1.26 -4.95 116.55 128.50 1p8g n ASP 66 Ca -0.08 -3.25 -0.17 0.00 -0.53 0.00 0.00 54.79 50.75 1p8g n ASP 66 Cb 0.78 -0.63 -0.09 0.00 -0.64 0.00 0.00 41.12 40.54 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 -2.63 -0.40 0.02 2.53 0.11 -1.26 -4.18 120.40 114.60 1p8g s VAL 67 Ca 0.41 -0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1p8g s VAL 67 Cb 0.22 -0.96 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1p8g s VAL 67 CO -0.08 -0.48 1.20 0.00 -3.33 0.00 0.00 175.10 172.41 1p8g h ALA 68 N 8.14 -1.03 0.00 1.54 0.00 -0.49 -3.47 119.26 123.96 1p8g h ALA 68 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1p8g h ALA 68 Cb 1.07 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1p8g h ALA 68 CO 0.32 -1.01 0.00 1.63 0.00 0.00 0.00 179.25 180.19 1p8g n LYS 69 N -3.34 -3.69 -1.93 0.00 5.02 -0.28 -4.99 118.16 108.95 1p8g n LYS 69 Ca -0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1p8g n LYS 69 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.16 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 -2.00 3.43 0.23 -0.18 -1.09 -1.26 0.76 121.20 121.09 1p8g s ILE 70 Ca 0.00 0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 58.84 1p8g s ILE 70 Cb 0.00 -3.45 0.19 0.00 -1.58 0.00 0.00 42.46 37.62 1p8g s ILE 70 CO 0.00 -0.19 1.79 -0.08 -1.23 0.00 0.00 174.94 175.23 1p8g h GLU 71 N 11.67 0.65 0.00 2.79 4.81 -1.22 -3.47 114.58 129.82 1p8g h GLU 71 Ca -0.38 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1p8g h GLU 71 Cb 1.18 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1p8g h GLU 71 CO 0.98 0.43 0.00 0.41 -0.73 0.00 0.00 179.01 180.11 1p8g n GLY 72 N -1.31 0.70 3.60 1.92 0.00 -1.26 -5.06 105.19 103.78 1p8g n GLY 72 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1p8g n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86