#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 1.04 -0.38 0.03 2.02 -1.16 -4.88 118.70 115.37 1p8g s GLU 2 Ca 0.00 -1.12 -0.13 0.00 0.02 0.00 0.00 54.97 53.73 1p8g s GLU 2 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 34.13 34.60 1p8g s GLU 2 CO 0.00 -0.36 0.26 -0.65 0.02 0.00 0.00 175.26 174.53 1p8g s GLN 3 N -3.94 3.08 0.28 1.61 -0.21 -1.26 -2.07 119.66 117.14 1p8g s GLN 3 Ca 0.14 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.60 1p8g s GLN 3 Cb 0.04 -3.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 1p8g s GLN 3 CO -0.04 -0.66 0.14 0.15 -2.12 0.00 0.00 175.29 172.77 1p8g s LYS 4 N 1.66 1.49 -0.46 2.91 1.02 -0.68 -4.93 119.74 120.74 1p8g s LYS 4 Ca 0.05 -1.83 -0.02 0.00 0.02 0.00 0.00 55.97 54.18 1p8g s LYS 4 Cb -0.19 -0.05 0.12 0.00 -0.52 0.00 0.00 37.83 37.19 1p8g s LYS 4 CO 0.09 -0.41 0.26 0.99 -0.92 0.00 0.00 175.35 175.36 1p8g s THR 5 N -3.74 3.34 -1.08 2.17 2.01 -1.26 -0.05 115.64 117.04 1p8g s THR 5 Ca 0.37 -2.32 -0.22 0.00 0.31 0.00 0.00 61.69 59.83 1p8g s THR 5 Cb 0.06 -3.27 0.06 0.00 0.01 0.00 0.00 72.50 69.36 1p8g s THR 5 CO 0.16 -0.74 1.49 -0.22 -0.69 0.00 0.00 174.62 174.63 1p8g s LEU 6 N 0.80 3.67 -0.29 4.42 0.20 -0.98 -2.16 118.68 124.34 1p8g s LEU 6 Ca 0.11 -1.71 -0.40 0.00 0.69 0.00 0.00 54.13 52.82 1p8g s LEU 6 Cb -0.22 -2.56 -0.16 0.00 -0.43 0.00 0.00 46.19 42.82 1p8g s LEU 6 CO -0.04 -1.41 1.75 1.67 -0.29 0.00 0.00 176.35 178.03 1p8g n GLN 7 N 8.63 1.12 -4.22 1.98 0.00 0.17 -4.67 117.38 120.39 1p8g n GLN 7 Ca 0.36 0.41 -0.31 0.00 -0.00 0.00 0.00 57.00 57.46 1p8g n GLN 7 Cb 0.50 -2.09 -0.09 0.00 0.00 0.00 0.00 30.24 28.56 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 3.60 3.84 -0.48 1.69 1.01 -1.26 -0.26 120.40 128.54 1p8g s VAL 8 Ca 0.99 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1p8g s VAL 8 Cb -1.09 -2.79 0.15 0.00 0.00 0.00 0.00 36.38 32.66 1p8g s VAL 8 CO 0.66 0.19 0.32 -1.61 0.00 0.00 0.00 175.10 174.66 1p8g s GLU 9 N -2.06 1.35 0.46 2.72 2.02 -1.17 -4.83 118.70 117.19 1p8g s GLU 9 Ca 0.23 -2.26 0.12 0.00 0.02 0.00 0.00 54.97 53.08 1p8g s GLU 9 Cb -0.11 -2.20 1.04 0.00 0.10 0.00 0.00 34.13 32.96 1p8g s GLU 9 CO 0.15 -1.26 2.08 0.78 0.02 0.00 0.00 175.26 177.03 1p8g h GLY 10 N 6.15 0.36 -6.03 -1.39 0.00 -1.82 -3.42 103.07 96.93 1p8g h GLY 10 Ca 0.11 -0.13 -0.33 0.00 0.00 0.00 0.00 47.33 46.98 1p8g h GLY 10 CO 0.48 0.12 -0.77 -0.13 0.00 0.00 0.00 176.54 176.23 1p8g n MET 11 N -4.49 -1.41 0.00 4.80 1.56 -1.26 -4.71 117.12 111.60 1p8g n MET 11 Ca 0.02 0.75 0.00 0.00 -0.27 0.00 0.00 57.70 58.20 1p8g n MET 11 Cb 0.13 -4.42 0.00 0.00 2.15 0.00 0.00 33.22 31.07 1p8g n MET 11 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1p8g n SER 12 N -2.57 0.00 -4.70 6.12 2.88 -1.26 -5.05 113.62 109.04 1p8g n SER 12 Ca -0.10 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.13 1p8g n SER 12 Cb 0.59 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.19 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 -3.95 -2.23 -2.55 0.00 6.02 -1.26 -4.90 117.38 108.50 1p8g n GLN 14 Ca 0.09 1.47 -0.19 0.00 -0.01 0.00 0.00 57.00 58.36 1p8g n GLN 14 Cb 0.53 -2.72 -0.00 0.00 1.02 0.00 0.00 30.24 29.07 1p8g n GLN 14 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1p8g n HIS 15 N -3.68 -1.29 -1.97 1.08 8.25 -1.26 -4.83 115.22 111.51 1p8g n HIS 15 Ca 0.01 0.10 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1p8g n HIS 15 Cb 0.51 -3.75 0.06 0.00 1.12 0.00 0.00 29.99 27.93 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 -2.31 0.08 0.00 0.00 0.31 -1.26 -1.87 118.33 113.28 1p8g n VAL 17 Ca 0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1p8g n VAL 17 Cb 0.24 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 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 8.02 0.00 0.19 5.55 0.00 -1.26 -4.98 118.16 125.68 1p8g n LYS 18 Ca 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.62 1p8g n LYS 18 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.40 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 -0.54 0.00 0.58 0.00 -1.69 0.18 119.26 117.79 1p8g h ALA 19 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1p8g h ALA 19 Cb 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1p8g h ALA 19 CO 0.00 -0.83 -0.05 0.28 0.00 0.00 0.00 179.25 178.65 1p8g h VAL 20 N -0.56 0.99 0.45 0.00 2.07 -1.88 -2.91 116.25 114.42 1p8g h VAL 20 Ca -0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1p8g h VAL 20 Cb 0.50 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1p8g h VAL 20 CO -0.04 0.04 -0.22 1.05 0.02 0.00 0.00 177.57 178.43 1p8g h GLU 21 N 0.00 -0.58 -0.64 1.57 -0.00 -1.22 -3.01 114.58 110.71 1p8g h GLU 21 Ca -0.00 0.04 0.10 0.00 -0.00 0.00 0.00 59.36 59.50 1p8g h GLU 21 Cb 0.08 0.13 -0.12 0.00 -0.00 0.00 0.00 28.75 28.85 1p8g h GLU 21 CO 0.01 -0.29 -0.39 1.15 -0.00 0.00 0.00 179.01 179.49 1p8g h THR 22 N -1.03 0.11 0.72 -1.06 2.02 -0.65 0.35 112.91 113.37 1p8g h THR 22 Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1p8g h THR 22 Cb 0.56 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1p8g h THR 22 CO 0.10 0.00 -0.35 0.28 0.37 0.00 0.00 175.52 175.92 1p8g h SER 23 N -0.17 -0.82 -1.01 4.18 0.02 -1.53 0.86 113.55 115.07 1p8g h SER 23 Ca 0.22 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1p8g h SER 23 Cb 0.56 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 1p8g h SER 23 CO -0.72 -0.49 0.66 0.58 -1.14 0.00 0.00 176.83 175.72 1p8g h VAL 24 N -1.15 1.20 0.00 2.27 2.07 -1.50 -1.46 116.25 117.69 1p8g h VAL 24 Ca -0.10 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1p8g h VAL 24 Cb 0.77 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1p8g h VAL 24 CO 0.16 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.60 1p8g n GLY 25 N -1.37 -0.57 0.21 2.17 0.00 0.12 -1.70 105.19 104.05 1p8g n GLY 25 Ca 0.13 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 -6.26 1.61 5.08 0.28 -3.45 114.58 111.84 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 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1p8g h GLU 26 CO 0.00 0.02 1.15 -0.51 -1.00 0.00 0.00 179.01 178.67 1p8g s LEU 27 N -6.18 4.14 0.33 1.33 1.43 -0.69 -4.87 118.68 114.18 1p8g s LEU 27 Ca 0.07 2.09 0.10 0.00 -1.03 0.00 0.00 54.13 55.35 1p8g s LEU 27 Cb 0.05 -3.53 1.00 0.00 0.03 0.00 0.00 46.19 43.74 1p8g s LEU 27 CO 0.68 -1.13 1.58 -0.78 0.23 0.00 0.00 176.35 176.94 1p8g h ASP 28 N 10.49 -0.09 -0.20 2.29 3.58 -1.89 0.56 116.42 131.16 1p8g h ASP 28 Ca -0.39 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1p8g h ASP 28 Cb 1.18 0.37 0.00 0.00 1.72 0.00 0.00 39.33 42.60 1p8g h ASP 28 CO 0.97 -0.36 0.00 0.61 -2.88 0.00 0.00 179.24 177.57 1p8g n GLY 29 N -1.39 0.21 3.71 -0.78 0.00 -1.26 -4.93 105.19 100.75 1p8g n GLY 29 Ca 0.29 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.74 2.64 0.00 1.61 0.11 0.18 -0.36 120.40 122.84 1p8g s VAL 30 Ca 0.28 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1p8g s VAL 30 Cb 0.15 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1p8g s VAL 30 CO 0.21 -0.27 0.00 -1.20 -3.33 0.00 0.00 175.10 170.51 1p8g n SER 31 N -3.93 1.18 -3.72 3.54 7.64 0.11 -4.81 113.62 113.63 1p8g n SER 31 Ca 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.84 1p8g n SER 31 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 1p8g n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p8g s ALA 32 N -1.52 -0.95 -0.38 -0.43 0.00 0.40 -4.94 121.76 113.94 1p8g s ALA 32 Ca 0.00 0.51 0.11 0.00 0.00 0.00 0.00 51.96 52.58 1p8g s ALA 32 Cb 0.00 0.05 0.35 0.00 0.00 0.00 0.00 23.12 23.51 1p8g s ALA 32 CO 0.00 -0.28 0.76 1.33 0.00 0.00 0.00 175.76 177.57 1p8g n VAL 33 N 1.25 -0.16 -1.53 0.00 0.24 -1.26 -0.11 118.33 116.76 1p8g n VAL 33 Ca -0.21 -4.33 -0.40 0.00 -2.04 0.00 0.00 64.34 57.36 1p8g n VAL 33 Cb 0.56 -0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.30 2.59 -1.78 6.34 -0.00 0.40 -4.90 115.22 118.17 1p8g n HIS 34 Ca 0.23 -3.02 -0.42 0.00 0.46 0.00 0.00 57.72 54.97 1p8g n HIS 34 Cb 0.66 -2.35 -0.03 0.00 -0.12 0.00 0.00 29.99 28.15 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 1.55 3.04 -0.35 3.57 0.11 -1.26 -1.66 120.40 125.40 1p8g s VAL 35 Ca 0.63 0.23 0.14 0.00 -2.93 0.00 0.00 61.98 60.06 1p8g s VAL 35 Cb 0.17 -3.15 0.40 0.00 -1.53 0.00 0.00 36.38 32.28 1p8g s VAL 35 CO -0.07 -0.01 0.89 0.59 -3.33 0.00 0.00 175.10 173.17 1p8g n ASN 36 N 6.84 0.81 0.28 3.54 3.02 0.37 -4.94 115.26 125.18 1p8g n ASN 36 Ca 0.18 -2.87 0.12 0.00 -0.03 0.00 0.00 54.58 51.99 1p8g n ASN 36 Cb 0.41 -0.36 0.80 0.00 -0.61 0.00 0.00 39.78 40.02 1p8g n ASN 36 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1p8g h LEU 37 N 2.94 0.00 -1.04 3.41 8.10 -1.84 0.30 115.31 127.18 1p8g h LEU 37 Ca -0.03 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.86 1p8g h LEU 37 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.30 1p8g h LEU 37 CO 0.45 0.02 -0.44 -0.33 -4.11 0.00 0.00 178.44 174.03 1p8g h GLU 38 N 0.00 0.08 0.00 0.17 5.08 -1.93 -1.68 114.58 116.30 1p8g h GLU 38 Ca -0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1p8g h GLU 38 Cb 0.05 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1p8g h GLU 38 CO 0.00 0.51 -0.86 0.00 -1.00 0.00 0.00 179.01 177.67 1p8g h ALA 39 N 1.49 0.48 0.00 3.43 0.00 -0.94 -3.48 119.26 120.24 1p8g h ALA 39 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1p8g h ALA 39 Cb 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1p8g h ALA 39 CO 0.06 1.07 0.00 0.41 0.00 0.00 0.00 179.25 180.79 1p8g n GLY 40 N 1.21 1.86 3.36 0.00 0.00 0.13 -5.10 105.19 106.64 1p8g n GLY 40 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.77 1.10 -0.36 1.61 3.01 -1.06 -4.94 119.74 118.33 1p8g s LYS 41 Ca 0.00 -0.49 0.06 0.00 -1.01 0.00 0.00 55.97 54.53 1p8g s LYS 41 Cb 0.00 0.49 0.18 0.00 -1.01 0.00 0.00 37.83 37.49 1p8g s LYS 41 CO 0.00 -0.43 0.56 0.54 0.51 0.00 0.00 175.35 176.53 1p8g s VAL 42 N -3.30 -0.87 -0.77 3.17 0.11 -1.26 -0.48 120.40 117.01 1p8g s VAL 42 Ca -0.01 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 1p8g s VAL 42 Cb 0.00 -0.50 0.14 0.00 -1.53 0.00 0.00 36.38 34.49 1p8g s VAL 42 CO -0.09 -0.11 0.88 -1.81 -3.33 0.00 0.00 175.10 170.64 1p8g s ASP 43 N 2.16 6.48 -0.32 3.54 1.01 -0.66 -2.32 116.67 126.56 1p8g s ASP 43 Ca 0.14 -1.93 -0.06 0.00 0.71 0.00 0.00 52.55 51.41 1p8g s ASP 43 Cb -0.08 -2.32 0.03 0.00 1.01 0.00 0.00 42.92 41.56 1p8g s ASP 43 CO -0.15 -0.99 0.08 0.68 0.21 0.00 0.00 175.17 175.01 1p8g s VAL 44 N 2.15 3.76 -0.34 -1.27 -7.23 0.93 -0.45 120.40 117.94 1p8g s VAL 44 Ca 0.21 -0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 59.25 1p8g s VAL 44 Cb -0.14 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 1p8g s VAL 44 CO -0.03 -0.06 0.40 -0.44 -0.31 0.00 0.00 175.10 174.67 1p8g s SER 45 N 1.43 6.22 0.05 4.85 0.01 0.84 -1.68 113.70 125.42 1p8g s SER 45 Ca -0.00 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 56.97 1p8g s SER 45 Cb -0.18 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1p8g s SER 45 CO 0.02 -0.37 0.27 0.72 0.41 0.00 0.00 173.24 174.29 1p8g s PHE 46 N 2.12 -0.05 -1.21 2.43 -0.12 -0.88 0.06 117.98 120.33 1p8g s PHE 46 Ca 0.14 -0.15 -0.20 0.00 -0.05 0.00 0.00 56.93 56.66 1p8g s PHE 46 Cb -0.16 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.31 1p8g s PHE 46 CO 0.12 -0.50 1.75 0.34 -0.05 0.00 0.00 175.22 176.88 1p8g s ASP 47 N -2.20 6.27 0.60 1.98 2.15 0.51 -2.99 116.67 122.99 1p8g s ASP 47 Ca -0.03 -2.02 0.29 0.00 0.43 0.00 0.00 52.55 51.21 1p8g s ASP 47 Cb -0.00 -2.58 1.22 0.00 -0.30 0.00 0.00 42.92 41.26 1p8g s ASP 47 CO -0.05 -1.76 1.59 0.00 -0.17 0.00 0.00 175.17 174.79 1p8g h ALA 48 N 8.60 2.63 0.50 3.66 0.00 -1.87 -0.44 119.26 132.34 1p8g h ALA 48 Ca 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1p8g h ALA 48 Cb 0.91 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1p8g h ALA 48 CO 1.39 -1.30 -0.24 0.22 0.00 0.00 0.00 179.25 179.32 1p8g h ASP 49 N 0.00 -0.57 0.51 0.00 1.82 -1.94 -3.23 116.42 113.00 1p8g h ASP 49 Ca 0.38 0.02 -0.28 0.00 -0.39 0.00 0.00 57.03 56.76 1p8g h ASP 49 Cb 2.15 0.15 0.01 0.00 0.68 0.00 0.00 39.33 42.32 1p8g h ASP 49 CO -0.00 -0.16 -1.24 0.50 -1.61 0.00 0.00 179.24 176.73 1p8g h LYS 50 N -1.17 0.35 -3.77 0.28 3.64 -1.90 -3.41 116.57 110.59 1p8g h LYS 50 Ca -0.07 -0.56 -0.58 0.00 -1.27 0.00 0.00 60.65 58.17 1p8g h LYS 50 Cb 0.52 0.20 -0.40 0.00 -0.41 0.00 0.00 32.23 32.14 1p8g h LYS 50 CO 0.11 1.25 -0.76 0.14 -2.27 0.00 0.00 179.45 177.92 1p8g s VAL 51 N -2.75 1.03 0.69 2.00 -7.23 -0.20 -5.12 120.40 108.82 1p8g s VAL 51 Ca -0.05 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 1p8g s VAL 51 Cb 0.07 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.35 1p8g s VAL 51 CO 0.89 -0.51 1.08 -0.44 -0.31 0.00 0.00 175.10 175.81 1p8g s SER 52 N 1.56 5.14 0.18 4.85 0.01 -1.22 -3.23 113.70 120.99 1p8g s SER 52 Ca 0.06 1.81 -0.03 0.00 1.31 0.00 0.00 55.95 59.10 1p8g s SER 52 Cb -0.18 -2.52 0.33 0.00 0.21 0.00 0.00 66.02 63.86 1p8g s SER 52 CO -0.18 -1.61 0.95 0.52 0.41 0.00 0.00 173.24 173.33 1p8g n VAL 53 N -2.84 -0.26 0.02 3.43 0.31 -1.26 0.50 118.33 118.23 1p8g n VAL 53 Ca 0.09 1.38 -0.12 0.00 -0.01 0.00 0.00 64.34 65.68 1p8g n VAL 53 Cb 0.53 -1.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 1p8g n VAL 53 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1p8g h LYS 54 N 0.00 -0.46 -0.94 5.55 2.10 -1.98 0.18 116.57 121.03 1p8g h LYS 54 Ca 0.31 0.03 0.17 0.00 -2.00 0.00 0.00 60.65 59.16 1p8g h LYS 54 Cb 0.54 0.10 -0.10 0.00 -0.90 0.00 0.00 32.23 31.87 1p8g h LYS 54 CO -0.61 -0.31 0.53 -0.44 -2.00 0.00 0.00 179.45 176.62 1p8g h ASP 55 N -0.48 0.67 0.18 7.07 5.19 -0.27 0.19 116.42 128.97 1p8g h ASP 55 Ca 0.02 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1p8g h ASP 55 Cb 0.53 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1p8g h ASP 55 CO -0.30 0.26 -0.09 0.40 -3.12 0.00 0.00 179.24 176.39 1p8g h ILE 56 N 0.71 0.92 -0.41 0.35 1.08 -0.15 0.16 117.51 120.18 1p8g h ILE 56 Ca 0.52 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1p8g h ILE 56 Cb 0.77 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1p8g h ILE 56 CO -0.37 0.14 0.23 0.00 -0.69 0.00 0.00 178.15 177.46 1p8g h ALA 57 N 0.19 0.51 -0.95 1.87 0.00 0.59 -0.73 119.26 120.74 1p8g h ALA 57 Ca -0.03 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1p8g h ALA 57 Cb 0.42 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1p8g h ALA 57 CO 0.04 -0.11 0.62 -0.44 0.00 0.00 0.00 179.25 179.37 1p8g h ASP 58 N 0.47 1.01 -0.29 0.00 3.32 -0.64 -0.47 116.42 119.81 1p8g h ASP 58 Ca 0.16 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1p8g h ASP 58 Cb 0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1p8g h ASP 58 CO -0.09 0.67 0.20 0.00 -1.72 0.00 0.00 179.24 178.30 1p8g h ALA 59 N 1.46 1.81 -0.33 3.45 0.00 0.59 0.32 119.26 126.55 1p8g h ALA 59 Ca 0.39 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 1p8g h ALA 59 Cb 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p8g h ALA 59 CO -0.14 0.17 -0.44 0.82 0.00 0.00 0.00 179.25 179.66 1p8g h ILE 60 N 0.38 1.28 0.00 0.00 5.03 -0.82 -3.15 117.51 120.22 1p8g h ILE 60 Ca 0.11 -1.62 -0.00 0.00 -0.12 0.00 0.00 64.86 63.22 1p8g h ILE 60 Cb -0.02 1.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.28 1p8g h ILE 60 CO -0.02 0.54 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.64 1p8g h GLU 61 N 0.69 0.00 0.00 2.37 5.08 0.26 0.44 114.58 123.41 1p8g h GLU 61 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1p8g h GLU 61 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1p8g h GLU 61 CO 0.10 0.01 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.63 1p8g h ASP 62 N 0.00 0.00 0.00 1.42 3.32 -0.72 -3.39 116.42 117.06 1p8g h ASP 62 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1p8g h ASP 62 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1p8g h ASP 62 CO 0.00 0.05 -0.11 0.00 -1.72 0.00 0.00 179.24 177.47 1p8g n GLN 63 N -3.59 0.06 0.00 3.56 1.13 0.80 -5.10 117.38 114.24 1p8g n GLN 63 Ca -0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1p8g n GLN 63 Cb 0.16 -0.43 0.00 0.00 0.11 0.00 0.00 30.24 30.08 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 2.36 4.34 2.72 1.08 0.00 0.12 -5.11 105.19 110.69 1p8g n GLY 64 Ca -0.02 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.48 -2.86 1.61 4.01 -1.26 -4.03 117.16 112.15 1p8g n TYR 65 Ca 0.00 -1.91 -0.14 0.00 -0.16 0.00 0.00 57.90 55.69 1p8g n TYR 65 Cb 0.00 1.57 0.00 0.00 -0.31 0.00 0.00 39.34 40.60 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 0.27 1.53 -3.29 7.72 9.92 -1.26 -4.93 116.55 126.51 1p8g n ASP 66 Ca 0.03 -2.92 -0.20 0.00 -0.53 0.00 0.00 54.79 51.16 1p8g n ASP 66 Cb 0.72 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1p8g n ASP 66 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1p8g s VAL 67 N -3.06 -0.13 0.00 2.53 1.01 -1.26 -3.05 120.40 116.44 1p8g s VAL 67 Ca 0.34 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1p8g s VAL 67 Cb 0.41 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1p8g s VAL 67 CO -0.03 -0.79 0.86 0.00 0.00 0.00 0.00 175.10 175.14 1p8g n ALA 68 N 3.47 -0.10 0.00 5.51 0.00 0.65 -4.96 120.51 125.08 1p8g n ALA 68 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1p8g n ALA 68 Cb 0.47 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.21 -1.46 -1.90 0.00 4.81 -0.96 -4.97 118.16 111.48 1p8g n LYS 69 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 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 3.36 0.00 3.15 -1.09 -1.26 0.46 121.20 123.83 1p8g s ILE 70 Ca 0.00 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1p8g s ILE 70 Cb 0.00 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1p8g s ILE 70 CO 0.00 -0.27 0.00 -0.62 -1.23 0.00 0.00 174.94 172.82 1p8g n GLU 71 N 8.38 0.00 -1.54 2.79 1.02 -0.92 -0.58 120.64 129.79 1p8g n GLU 71 Ca 0.24 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1p8g n GLU 71 Cb 0.46 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.96 1p8g n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p8g n GLY 72 N -0.01 5.89 2.67 0.62 0.00 -1.26 -5.01 105.19 108.09 1p8g n GLY 72 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19