#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j s LEU 2 N 0.00 -0.85 0.34 0.00 2.96 -1.26 -5.04 118.68 114.82 1d8j s LEU 2 Ca 0.00 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1d8j s LEU 2 Cb 0.00 1.69 0.00 0.00 0.50 0.00 0.00 46.19 48.38 1d8j s LEU 2 CO 0.00 -0.23 0.00 -1.20 -1.32 0.00 0.00 176.35 173.60 1d8j n SER 3 N 5.41 -2.35 0.00 3.68 7.64 -1.26 -5.09 113.62 121.65 1d8j n SER 3 Ca -0.09 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1d8j n SER 3 Cb 0.49 2.31 0.00 0.00 -1.01 0.00 0.00 64.21 66.01 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8j n GLY 4 N -0.48 -1.79 3.45 0.23 0.00 -1.26 -5.18 105.19 100.16 1d8j n GLY 4 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d8j s SER 5 N 0.00 -0.53 -0.40 1.61 1.04 -1.26 -5.09 113.70 109.07 1d8j s SER 5 Ca 0.00 0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.64 1d8j s SER 5 Cb 0.00 0.54 0.37 0.00 0.10 0.00 0.00 66.02 67.03 1d8j s SER 5 CO 0.00 -0.84 1.02 -1.20 0.98 0.00 0.00 173.24 173.20 1d8j n SER 6 N -0.16 -0.62 -0.07 7.02 7.64 -1.26 -5.11 113.62 121.06 1d8j n SER 6 Ca -0.15 -3.08 0.01 0.00 1.01 0.00 0.00 58.87 56.66 1d8j n SER 6 Cb 0.63 0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8j n GLY 7 N 0.08 -2.14 0.00 0.23 0.00 -1.26 -4.61 105.19 97.48 1d8j n GLY 7 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1d8j n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1d8j n TYR 8 N -2.47 0.00 -0.24 1.61 9.36 -1.26 -4.62 117.16 119.54 1d8j n TYR 8 Ca -0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 1d8j n TYR 8 Cb 0.03 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 38.88 1d8j n TYR 8 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1d8j h LYS 9 N 0.00 0.52 -0.65 2.98 1.57 -1.99 -0.92 116.57 118.07 1d8j h LYS 9 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1d8j h LYS 9 Cb 0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1d8j h LYS 9 CO 0.00 0.34 0.33 0.74 -0.57 0.00 0.00 179.45 180.30 1d8j h PHE 10 N 0.54 0.92 0.18 -1.35 0.04 -1.98 -0.20 116.94 115.09 1d8j h PHE 10 Ca 0.35 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1d8j h PHE 10 Cb 0.42 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1d8j h PHE 10 CO -0.13 0.68 -0.09 0.78 -0.60 0.00 0.00 178.31 178.96 1d8j h GLY 11 N 0.90 -0.25 0.99 -1.45 0.00 -1.49 0.29 103.07 102.06 1d8j h GLY 11 Ca 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1d8j h GLY 11 CO -0.03 -0.09 0.25 -2.08 0.00 0.00 0.00 176.54 174.58 1d8j h VAL 12 N -0.33 1.12 0.14 4.60 2.07 -1.11 -0.69 116.25 122.04 1d8j h VAL 12 Ca -0.02 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1d8j h VAL 12 Cb 0.26 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1d8j h VAL 12 CO 0.04 0.12 -0.08 0.25 0.02 0.00 0.00 177.57 177.92 1d8j h LEU 13 N 0.53 -0.20 -0.66 2.57 5.85 -0.91 -0.01 115.31 122.48 1d8j h LEU 13 Ca 0.14 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1d8j h LEU 13 Cb -0.02 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1d8j h LEU 13 CO -0.03 -0.13 0.39 0.00 -0.34 0.00 0.00 178.44 178.33 1d8j h ALA 14 N 0.66 0.87 -0.01 1.25 0.00 -0.79 0.74 119.26 121.98 1d8j h ALA 14 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1d8j h ALA 14 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1d8j h ALA 14 CO 0.02 0.10 -0.03 -0.22 0.00 0.00 0.00 179.25 179.12 1d8j h LYS 15 N 0.74 -0.04 -0.25 0.00 1.63 -0.81 -0.24 116.57 117.59 1d8j h LYS 15 Ca 0.28 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.09 1d8j h LYS 15 Cb 0.11 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1d8j h LYS 15 CO -0.14 -0.03 0.14 0.82 -3.45 0.00 0.00 179.45 176.79 1d8j h ILE 16 N -0.04 1.02 -0.07 2.00 2.04 -0.48 -0.19 117.51 121.79 1d8j h ILE 16 Ca 0.02 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1d8j h ILE 16 Cb 0.07 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1d8j h ILE 16 CO -0.04 0.05 -0.03 0.58 0.00 0.00 0.00 178.15 178.72 1d8j h VAL 17 N 0.29 0.91 -0.31 1.67 2.07 -0.65 0.13 116.25 120.36 1d8j h VAL 17 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1d8j h VAL 17 Cb 0.00 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1d8j h VAL 17 CO -0.05 0.00 0.18 -1.13 0.02 0.00 0.00 177.57 176.59 1d8j h ASN 18 N -0.01 0.30 0.72 0.57 -0.73 -0.83 -0.38 115.58 115.22 1d8j h ASN 18 Ca 0.04 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 1d8j h ASN 18 Cb 0.07 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1d8j h ASN 18 CO -0.08 0.22 -0.34 0.22 -0.37 0.00 0.00 177.43 177.08 1d8j h TYR 19 N 0.38 -0.89 -0.93 0.67 3.20 -0.77 -1.33 116.97 117.29 1d8j h TYR 19 Ca 0.12 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1d8j h TYR 19 Cb -0.01 0.29 -0.09 0.00 1.54 0.00 0.00 36.73 38.47 1d8j h TYR 19 CO -0.07 -0.54 0.54 0.52 -1.64 0.00 0.00 178.16 176.96 1d8j h MET 20 N -1.00 0.76 0.67 1.82 2.86 -0.65 0.22 114.93 119.61 1d8j h MET 20 Ca -0.10 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1d8j h MET 20 Cb 0.75 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.24 1d8j h MET 20 CO 0.16 0.50 -0.32 -0.22 1.06 0.00 0.00 176.91 178.09 1d8j h LYS 21 N 0.78 -0.87 -0.83 1.72 3.64 -0.89 0.12 116.57 120.24 1d8j h LYS 21 Ca 0.49 0.06 0.21 0.00 -1.27 0.00 0.00 60.65 60.14 1d8j h LYS 21 Cb 0.64 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 32.52 1d8j h LYS 21 CO -0.33 -0.58 0.13 1.15 -2.27 0.00 0.00 179.45 177.56 1d8j h THR 22 N -0.92 0.33 -0.68 1.00 2.02 -0.75 0.49 112.91 114.40 1d8j h THR 22 Ca -0.09 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1d8j h THR 22 Cb 0.69 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1d8j h THR 22 CO 0.15 0.03 0.26 -0.09 0.37 0.00 0.00 175.52 176.24 1d8j h ARG 23 N 0.17 1.03 -0.24 6.66 2.43 -0.84 -1.65 114.38 121.95 1d8j h ARG 23 Ca 0.49 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1d8j h ARG 23 Cb 0.93 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1d8j h ARG 23 CO -0.66 0.87 -0.23 1.25 -1.51 0.00 0.00 179.97 179.69 1d8j h HIS 24 N 0.98 0.49 -0.28 2.20 2.76 0.22 -2.78 115.15 118.73 1d8j h HIS 24 Ca 0.23 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 1d8j h HIS 24 Cb 0.23 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1d8j h HIS 24 CO 0.02 0.64 -0.36 1.96 -1.30 0.00 0.00 177.93 178.89 1d8j h GLN 25 N 0.39 0.63 0.59 5.26 4.20 0.27 -3.27 115.11 123.19 1d8j h GLN 25 Ca 0.06 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1d8j h GLN 25 Cb 0.62 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.40 1d8j h GLN 25 CO 0.04 0.89 -0.28 0.00 -0.67 0.00 0.00 178.83 178.82 1d8j h ARG 26 N 0.53 -0.76 0.00 1.46 3.08 -1.05 -3.47 114.38 114.17 1d8j h ARG 26 Ca 0.05 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1d8j h ARG 26 Cb 0.86 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1d8j h ARG 26 CO 0.07 -0.46 0.00 0.41 -1.07 0.00 0.00 179.97 178.92 1d8j n GLY 27 N -1.04 0.53 3.57 0.04 0.00 -1.11 -5.05 105.19 102.12 1d8j n GLY 27 Ca -0.12 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1d8j n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d8j n ASP 28 N 0.00 3.31 0.08 1.61 -0.08 -1.12 -4.64 116.55 115.71 1d8j n ASP 28 Ca 0.00 -2.73 0.11 0.00 -1.51 0.00 0.00 54.79 50.67 1d8j n ASP 28 Cb 0.00 -1.73 -0.00 0.00 2.34 0.00 0.00 41.12 41.73 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1d8j n THR 29 N 7.57 0.50 -1.65 5.18 -2.24 -1.26 -3.30 114.28 119.08 1d8j n THR 29 Ca 0.46 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1d8j n THR 29 Cb 0.46 -0.24 0.07 0.00 -2.10 0.00 0.00 70.33 68.53 1d8j n THR 29 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1d8j s HIS 30 N -3.35 2.10 0.68 4.78 -3.43 -1.26 -4.69 115.29 110.11 1d8j s HIS 30 Ca -0.00 1.54 -0.13 0.00 -0.80 0.00 0.00 55.06 55.66 1d8j s HIS 30 Cb 0.11 -3.58 0.01 0.00 -1.43 0.00 0.00 32.58 27.69 1d8j s HIS 30 CO 0.80 -2.71 1.08 -1.25 -2.00 0.00 0.00 174.74 170.66 1d8j s PRO 31 N -3.59 2.82 0.08 -0.38 0.04 -1.26 -4.86 135.00 127.85 1d8j s PRO 31 Ca 0.79 1.21 0.08 0.00 0.04 0.00 0.00 61.00 63.11 1d8j s PRO 31 Cb -0.33 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1d8j s PRO 31 CO 0.41 -1.21 -0.21 -0.51 0.04 0.00 0.00 177.00 175.52 1d8j s LEU 32 N -5.17 2.26 1.16 -3.56 1.43 -0.23 -4.76 118.68 109.81 1d8j s LEU 32 Ca 0.63 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1d8j s LEU 32 Cb -0.17 -0.90 0.28 0.00 0.03 0.00 0.00 46.19 45.43 1d8j s LEU 32 CO 0.46 0.09 1.00 0.35 0.23 0.00 0.00 176.35 178.48 1d8j n THR 33 N 1.34 0.00 0.36 5.49 -2.24 -1.26 -0.47 114.28 117.50 1d8j n THR 33 Ca -0.19 -0.42 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 1d8j n THR 33 Cb 0.53 -0.99 -0.09 0.00 -2.10 0.00 0.00 70.33 67.69 1d8j n THR 33 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1d8j h LEU 34 N -2.64 -0.97 -0.77 3.22 7.12 -1.96 -2.34 115.31 116.97 1d8j h LEU 34 Ca -0.60 0.05 0.11 0.00 0.13 0.00 0.00 57.88 57.57 1d8j h LEU 34 Cb 1.33 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 41.67 1d8j h LEU 34 CO 0.48 -0.61 0.40 0.44 -0.13 0.00 0.00 178.44 179.02 1d8j h ASP 35 N -0.97 0.53 -0.35 1.25 5.19 -1.99 -1.49 116.42 118.58 1d8j h ASP 35 Ca -0.08 0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1d8j h ASP 35 Cb 0.78 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.20 1d8j h ASP 35 CO 0.09 0.28 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.08 1d8j h GLU 36 N 0.65 0.01 -0.99 3.56 5.08 -1.86 -1.08 114.58 119.94 1d8j h GLU 36 Ca 0.39 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1d8j h GLU 36 Cb 0.43 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1d8j h GLU 36 CO -0.29 0.00 0.65 0.82 -1.00 0.00 0.00 179.01 179.19 1d8j h ILE 37 N 0.01 1.15 0.00 3.13 2.04 -0.74 -1.15 117.51 121.94 1d8j h ILE 37 Ca 0.17 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1d8j h ILE 37 Cb 0.26 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1d8j h ILE 37 CO -0.36 0.23 -0.07 -0.07 0.00 0.00 0.00 178.15 177.88 1d8j h LEU 38 N 1.24 0.00 0.69 1.44 3.38 -0.60 -2.46 115.31 119.00 1d8j h LEU 38 Ca 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 1d8j h LEU 38 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1d8j h LEU 38 CO -0.14 0.07 -0.33 -0.78 0.09 0.00 0.00 178.44 177.35 1d8j h ASP 39 N 0.00 -0.78 0.09 -0.43 1.82 -0.57 -0.21 116.42 116.33 1d8j h ASP 39 Ca -0.00 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1d8j h ASP 39 Cb 0.13 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 1d8j h ASP 39 CO 0.01 -0.42 -0.07 -0.33 -1.61 0.00 0.00 179.24 176.82 1d8j h GLU 40 N -1.20 -0.15 -5.94 0.28 3.07 -1.48 -3.21 114.58 105.94 1d8j h GLU 40 Ca -0.09 0.01 -0.59 0.00 -0.50 0.00 0.00 59.36 58.18 1d8j h GLU 40 Cb 0.73 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.59 1d8j h GLU 40 CO 0.16 -0.10 1.70 0.95 -1.40 0.00 0.00 179.01 180.32 1d8j s THR 41 N -3.41 3.94 -0.37 1.13 -4.23 -0.94 -4.87 115.64 106.90 1d8j s THR 41 Ca -0.03 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1d8j s THR 41 Cb 0.01 -5.01 -0.13 0.00 1.34 0.00 0.00 72.50 68.71 1d8j s THR 41 CO 0.09 -1.85 1.27 1.67 -0.54 0.00 0.00 174.62 175.26 1d8j n GLN 42 N 8.65 0.00 -2.75 3.99 7.27 -1.17 -4.47 117.38 128.90 1d8j n GLN 42 Ca 0.41 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.43 1d8j n GLN 42 Cb 0.48 -0.85 0.04 0.00 2.41 0.00 0.00 30.24 32.33 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1d8j n HIS 43 N 4.18 1.20 0.12 3.69 -0.00 -0.10 -4.89 115.22 119.42 1d8j n HIS 43 Ca 0.25 -2.47 -0.20 0.00 -0.00 0.00 0.00 57.72 55.30 1d8j n HIS 43 Cb 0.29 -0.30 -0.15 0.00 -0.00 0.00 0.00 29.99 29.83 1d8j n HIS 43 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1d8j h LEU 44 N 2.81 0.66 -0.57 2.41 3.38 -1.82 -3.25 115.31 118.92 1d8j h LEU 44 Ca -0.12 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1d8j h LEU 44 Cb 1.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1d8j h LEU 44 CO 0.34 1.54 0.25 0.44 0.09 0.00 0.00 178.44 181.10 1d8j h ASP 45 N 0.12 0.76 0.00 -0.43 5.19 -1.94 -3.42 116.42 116.70 1d8j h ASP 45 Ca -0.19 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1d8j h ASP 45 Cb 2.06 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.37 1d8j h ASP 45 CO 0.24 0.70 0.00 0.00 -3.12 0.00 0.00 179.24 177.06 1d8j n ILE 46 N -4.53 0.00 0.00 0.35 3.06 -1.23 -4.81 119.36 112.21 1d8j n ILE 46 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1d8j n ILE 46 Cb 0.14 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.32 1d8j n ILE 46 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1d8j n GLY 47 N 0.00 4.17 0.19 4.50 0.00 -1.26 -4.90 105.19 107.88 1d8j n GLY 47 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 1d8j n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d8j h LEU 48 N 0.00 0.03 -0.05 0.99 5.85 -1.99 0.76 115.31 120.91 1d8j h LEU 48 Ca 0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1d8j h LEU 48 Cb 0.00 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1d8j h LEU 48 CO 0.00 0.05 -0.08 0.50 -0.34 0.00 0.00 178.44 178.57 1d8j h LYS 49 N 0.24 -0.11 0.57 1.25 3.64 -1.98 0.30 116.57 120.48 1d8j h LYS 49 Ca 0.22 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1d8j h LYS 49 Cb 0.28 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1d8j h LYS 49 CO -0.28 -0.07 -0.27 1.96 -2.27 0.00 0.00 179.45 178.51 1d8j h GLN 50 N -0.11 -0.74 -0.55 1.90 7.50 -1.80 0.24 115.11 121.54 1d8j h GLN 50 Ca 0.05 0.05 0.11 0.00 0.50 0.00 0.00 58.65 59.36 1d8j h GLN 50 Cb 0.18 0.17 -0.11 0.00 0.05 0.00 0.00 27.48 27.77 1d8j h GLN 50 CO -0.12 -0.44 -0.14 -0.22 -1.50 0.00 0.00 178.83 176.41 1d8j h LYS 51 N -0.91 -0.00 -0.43 1.46 3.64 -0.80 0.29 116.57 119.82 1d8j h LYS 51 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1d8j h LYS 51 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1d8j h LYS 51 CO 0.13 -0.00 0.23 0.37 -2.27 0.00 0.00 179.45 177.91 1d8j h GLN 52 N -0.00 0.60 -0.75 1.90 5.75 -0.87 -1.73 115.11 120.01 1d8j h GLN 52 Ca 0.27 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1d8j h GLN 52 Cb 0.41 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 1d8j h GLN 52 CO -0.57 0.49 0.41 2.35 -2.65 0.00 0.00 178.83 178.86 1d8j h TRP 53 N 0.56 1.01 -0.30 3.99 7.01 0.47 -0.25 115.95 128.43 1d8j h TRP 53 Ca 0.15 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1d8j h TRP 53 Cb 0.07 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 1d8j h TRP 53 CO -0.02 0.70 0.14 -0.07 -2.79 0.00 0.00 178.44 176.40 1d8j h LEU 54 N 1.04 0.40 0.05 0.65 3.38 -0.07 0.34 115.31 121.10 1d8j h LEU 54 Ca 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1d8j h LEU 54 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1d8j h LEU 54 CO -0.04 0.42 -0.03 -0.03 0.09 0.00 0.00 178.44 178.85 1d8j h MET 55 N 0.35 -0.07 0.11 1.13 4.05 -0.74 0.63 114.93 120.39 1d8j h MET 55 Ca 0.10 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.20 1d8j h MET 55 Cb 0.13 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1d8j h MET 55 CO -0.01 0.11 -1.77 1.79 0.23 0.00 0.00 176.91 177.26 1d8j h THR 56 N -0.24 0.76 0.00 -0.77 1.35 -1.05 -3.43 112.91 109.52 1d8j h THR 56 Ca -0.01 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 1d8j h THR 56 Cb 0.21 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1d8j h THR 56 CO 0.01 0.78 0.00 -0.62 -0.25 0.00 0.00 175.52 175.44 1d8j n GLU 57 N -3.71 0.00 -0.06 4.72 1.02 0.93 -4.57 120.64 118.96 1d8j n GLU 57 Ca -0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.76 1d8j n GLU 57 Cb 0.97 -0.33 -0.05 0.00 -0.02 0.00 0.00 31.44 32.01 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d8j h ALA 58 N -1.80 -0.59 -0.02 0.62 0.00 -0.88 0.40 119.26 116.99 1d8j h ALA 58 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1d8j h ALA 58 Cb 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1d8j h ALA 58 CO 0.00 -0.73 0.01 1.28 0.00 0.00 0.00 179.25 179.81 1d8j n LEU 59 N -4.16 3.52 0.00 0.00 4.77 0.21 -1.92 117.00 119.41 1d8j n LEU 59 Ca -0.02 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 1d8j n LEU 59 Cb 0.19 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1d8j n LEU 59 CO 0.01 0.61 -0.14 0.52 -1.33 0.00 0.00 177.39 177.06 1d8j n VAL 60 N 0.66 0.00 0.08 4.08 0.31 -0.50 -4.72 118.33 118.23 1d8j n VAL 60 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.30 1d8j n VAL 60 Cb 0.52 -0.63 -0.07 0.00 -0.91 0.00 0.00 33.84 32.75 1d8j n VAL 60 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1d8j h ASN 61 N 0.00 0.00 -2.23 4.52 7.08 -0.95 -3.46 115.58 120.54 1d8j h ASN 61 Ca 0.00 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.65 1d8j h ASN 61 Cb 0.28 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.54 1d8j h ASN 61 CO 0.00 0.82 1.12 -3.20 -2.08 0.00 0.00 177.43 174.09 1d8j n ASN 62 N -3.26 3.76 0.26 6.14 2.85 -0.81 -4.85 115.26 119.36 1d8j n ASN 62 Ca -0.01 0.96 0.18 0.00 -0.11 0.00 0.00 54.58 55.59 1d8j n ASN 62 Cb 0.88 -1.46 0.86 0.00 1.24 0.00 0.00 39.78 41.30 1d8j n ASN 62 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1d8j h PRO 63 N 9.32 0.00 -0.62 1.20 0.13 -1.91 -2.27 132.00 137.85 1d8j h PRO 63 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1d8j h PRO 63 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1d8j h PRO 63 CO 0.94 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.34 1d8j n LYS 64 N -2.83 4.55 -4.27 0.86 4.76 -1.26 -4.81 118.16 115.15 1d8j n LYS 64 Ca -0.01 -2.86 -0.19 0.00 -2.87 0.00 0.00 58.31 52.38 1d8j n LYS 64 Cb 0.16 -2.20 -0.13 0.00 -1.84 0.00 0.00 35.03 31.02 1d8j n LYS 64 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1d8j s ILE 65 N -2.60 1.02 -0.01 -0.18 -1.09 -0.86 -0.86 121.20 116.62 1d8j s ILE 65 Ca 0.49 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1d8j s ILE 65 Cb 0.38 -0.95 0.01 0.00 -1.58 0.00 0.00 42.46 40.31 1d8j s ILE 65 CO 0.14 -0.08 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.06 1d8j s GLU 66 N -1.28 0.25 -0.20 2.79 2.12 0.34 -4.59 118.70 118.14 1d8j s GLU 66 Ca -0.00 -0.03 -0.10 0.00 0.36 0.00 0.00 54.97 55.20 1d8j s GLU 66 Cb -0.08 -0.32 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 1d8j s GLU 66 CO 0.01 -0.02 0.13 0.08 -0.54 0.00 0.00 175.26 174.93 1d8j s VAL 67 N 0.35 5.39 -0.07 3.70 1.01 -1.26 -0.93 120.40 128.60 1d8j s VAL 67 Ca -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1d8j s VAL 67 Cb -0.06 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.91 1d8j s VAL 67 CO -0.01 0.45 0.14 -0.63 0.00 0.00 0.00 175.10 175.05 1d8j s ILE 68 N 0.29 -0.18 -1.37 2.22 1.01 -0.34 -4.87 121.20 117.97 1d8j s ILE 68 Ca 0.08 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 1d8j s ILE 68 Cb -0.11 -0.25 0.04 0.00 0.01 0.00 0.00 42.46 42.14 1d8j s ILE 68 CO -0.02 0.13 0.46 -0.67 0.00 0.00 0.00 174.94 174.84 1d8j n ASP 69 N 4.94 -4.68 0.00 3.58 2.03 -1.26 -1.28 116.55 119.88 1d8j n ASP 69 Ca -0.12 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1d8j n ASP 69 Cb 0.50 -3.84 0.00 0.00 -0.72 0.00 0.00 41.12 37.06 1d8j n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d8j n GLY 70 N -1.25 2.09 3.77 0.27 0.00 -1.26 -5.00 105.19 103.81 1d8j n GLY 70 Ca -0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1d8j n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d8j s LYS 71 N 0.00 1.93 -0.07 1.61 3.01 -0.40 -4.78 119.74 121.04 1d8j s LYS 71 Ca 0.00 0.86 0.05 0.00 -1.01 0.00 0.00 55.97 55.87 1d8j s LYS 71 Cb 0.00 -1.88 -0.01 0.00 -1.01 0.00 0.00 37.83 34.93 1d8j s LYS 71 CO 0.00 -1.79 -0.23 0.71 0.51 0.00 0.00 175.35 174.55 1d8j s TYR 72 N -3.01 2.51 0.13 3.18 1.51 0.38 -1.19 117.35 120.86 1d8j s TYR 72 Ca 0.61 -0.76 0.08 0.00 -1.01 0.00 0.00 57.07 56.00 1d8j s TYR 72 Cb -0.16 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1d8j s TYR 72 CO 0.56 -0.24 -0.20 0.00 -1.11 0.00 0.00 175.55 174.56 1d8j s ALA 73 N -0.05 1.89 -0.14 3.71 0.00 -0.10 -1.07 121.76 126.01 1d8j s ALA 73 Ca -0.07 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 1d8j s ALA 73 Cb -0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1d8j s ALA 73 CO 0.05 0.31 1.20 0.12 0.00 0.00 0.00 175.76 177.44 1d8j s PHE 74 N -1.53 3.05 -0.10 0.00 5.36 -1.26 -0.51 117.98 122.99 1d8j s PHE 74 Ca 0.10 1.16 -0.29 0.00 -0.96 0.00 0.00 56.93 56.94 1d8j s PHE 74 Cb -0.08 -3.43 -0.04 0.00 -0.34 0.00 0.00 43.02 39.12 1d8j s PHE 74 CO 0.05 -1.35 1.56 0.21 -1.46 0.00 0.00 175.22 174.23 1d8j s LYS 75 N 3.00 4.14 -0.39 10.12 2.20 -0.04 -4.81 119.74 133.96 1d8j s LYS 75 Ca 0.53 2.00 -0.27 0.00 -0.36 0.00 0.00 55.97 57.87 1d8j s LYS 75 Cb -0.22 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.12 1d8j s LYS 75 CO 0.16 -0.87 2.15 -1.25 -0.36 0.00 0.00 175.35 175.17 1d8j s PRO 76 N 4.00 2.75 -0.26 4.03 0.04 -1.26 -4.70 135.00 139.59 1d8j s PRO 76 Ca 0.69 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 1d8j s PRO 76 Cb -0.30 -4.41 0.11 0.00 0.04 0.00 0.00 34.50 29.94 1d8j s PRO 76 CO 0.26 -2.54 0.96 0.21 0.04 0.00 0.00 177.00 175.93 1d8j s LYS 77 N 6.95 0.59 -1.47 4.56 2.20 -1.26 -4.95 119.74 126.36 1d8j s LYS 77 Ca 0.91 0.64 -0.09 0.00 -0.36 0.00 0.00 55.97 57.07 1d8j s LYS 77 Cb -0.23 0.29 0.06 0.00 -1.51 0.00 0.00 37.83 36.44 1d8j s LYS 77 CO 0.30 -0.09 0.81 0.66 -0.36 0.00 0.00 175.35 176.68 1d8j n TYR 78 N 2.16 -2.06 -1.58 4.03 4.01 -1.26 -4.84 117.16 117.63 1d8j n TYR 78 Ca -0.13 0.86 -0.39 0.00 -0.16 0.00 0.00 57.90 58.08 1d8j n TYR 78 Cb 0.56 -3.97 -0.02 0.00 -0.31 0.00 0.00 39.34 35.60 1d8j n TYR 78 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1d8j n ASN 79 N -2.90 8.42 -4.71 7.72 3.02 -1.26 -4.97 115.26 120.59 1d8j n ASN 79 Ca -0.10 -2.80 -0.40 0.00 -0.03 0.00 0.00 54.58 51.26 1d8j n ASN 79 Cb 0.59 -1.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.30 1d8j n ASN 79 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1d8j n VAL 80 N 2.89 3.21 -1.98 2.41 0.31 -1.26 -5.21 118.33 118.69 1d8j n VAL 80 Ca 0.72 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1d8j n VAL 80 Cb 0.24 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1d8j n VAL 80 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40