#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j n LEU 2 N 0.00 7.91 0.10 0.00 4.77 -1.26 -4.45 117.00 124.07 1d8j n LEU 2 Ca 0.00 -4.22 -0.17 0.00 -0.03 0.00 0.00 56.01 51.58 1d8j n LEU 2 Cb 0.00 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 39.46 1d8j n LEU 2 CO 0.00 1.99 -0.15 0.77 -1.33 0.00 0.00 177.39 178.67 1d8j h SER 3 N 4.48 0.48 0.62 -1.43 4.64 -2.09 -3.37 113.55 116.87 1d8j h SER 3 Ca 0.70 -0.54 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1d8j h SER 3 Cb 0.53 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1d8j h SER 3 CO 1.41 1.43 -0.30 1.23 -0.87 0.00 0.00 176.83 179.73 1d8j h GLY 4 N 1.41 -0.87 -0.02 -0.77 0.00 -2.11 -3.49 103.07 97.21 1d8j h GLY 4 Ca -0.18 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1d8j h GLY 4 CO 0.20 -0.32 0.01 -1.26 0.00 0.00 0.00 176.54 175.18 1d8j n SER 5 N -4.75 -0.04 -3.29 0.19 2.88 -1.26 -5.14 113.62 102.21 1d8j n SER 5 Ca -0.10 -1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 56.33 1d8j n SER 5 Cb 0.33 0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.80 1d8j n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1d8j s SER 6 N -1.04 0.19 0.00 -3.46 0.01 -1.26 -4.75 113.70 103.39 1d8j s SER 6 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1d8j s SER 6 Cb -0.00 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1d8j s SER 6 CO 0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1d8j n GLY 7 N 5.04 -0.31 3.67 3.44 0.00 -1.26 -4.75 105.19 111.03 1d8j n GLY 7 Ca 0.04 0.02 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.27 2.22 0.00 1.61 9.36 -1.26 -0.49 117.16 126.33 1d8j n TYR 8 Ca 0.00 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1d8j n TYR 8 Cb 0.00 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.13 1d8j n TYR 8 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1d8j n LYS 9 N 5.28 0.00 0.04 2.98 5.02 -1.26 -4.55 118.16 125.68 1d8j n LYS 9 Ca 0.21 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.39 1d8j n LYS 9 Cb 0.27 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.23 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1d8j h PHE 10 N 0.00 -0.33 -0.05 2.13 0.04 -1.91 0.88 116.94 117.69 1d8j h PHE 10 Ca 0.00 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1d8j h PHE 10 Cb 0.00 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1d8j h PHE 10 CO 0.00 -0.20 0.01 0.78 -0.60 0.00 0.00 178.31 178.30 1d8j h GLY 11 N -0.21 0.05 0.89 -1.45 0.00 -1.02 0.14 103.07 101.47 1d8j h GLY 11 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1d8j h GLY 11 CO -0.15 -0.00 0.27 -2.08 0.00 0.00 0.00 176.54 174.59 1d8j h VAL 12 N 0.03 1.05 -0.42 4.60 2.07 -1.64 -0.56 116.25 121.37 1d8j h VAL 12 Ca 0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1d8j h VAL 12 Cb 0.02 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1d8j h VAL 12 CO -0.03 0.10 0.24 0.25 0.02 0.00 0.00 177.57 178.15 1d8j h LEU 13 N 0.55 0.51 -1.18 2.57 5.85 -0.53 0.18 115.31 123.27 1d8j h LEU 13 Ca 0.19 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1d8j h LEU 13 Cb 0.02 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1d8j h LEU 13 CO -0.09 0.44 0.50 0.00 -0.34 0.00 0.00 178.44 178.95 1d8j h ALA 14 N 1.10 1.39 -0.34 1.25 0.00 -0.58 0.16 119.26 122.25 1d8j h ALA 14 Ca 0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1d8j h ALA 14 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1d8j h ALA 14 CO -0.03 0.54 -0.37 -0.22 0.00 0.00 0.00 179.25 179.18 1d8j h LYS 15 N 1.08 0.80 -0.09 0.00 3.64 -0.51 0.13 116.57 121.62 1d8j h LYS 15 Ca 0.29 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1d8j h LYS 15 Cb -0.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1d8j h LYS 15 CO -0.06 1.04 0.04 0.82 -2.27 0.00 0.00 179.45 179.01 1d8j h ILE 16 N 0.66 1.14 -0.18 2.00 2.04 -0.25 0.18 117.51 123.10 1d8j h ILE 16 Ca 0.06 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1d8j h ILE 16 Cb 0.92 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1d8j h ILE 16 CO 0.08 0.13 0.11 0.58 0.00 0.00 0.00 178.15 179.05 1d8j h VAL 17 N -0.01 1.02 -0.61 1.67 2.07 -0.91 -0.22 116.25 119.27 1d8j h VAL 17 Ca 0.03 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1d8j h VAL 17 Cb 0.17 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1d8j h VAL 17 CO -0.00 0.04 0.38 -1.13 0.02 0.00 0.00 177.57 176.87 1d8j h ASN 18 N 0.22 0.72 0.74 0.57 -0.73 -0.83 0.64 115.58 116.92 1d8j h ASN 18 Ca 0.07 -0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 1d8j h ASN 18 Cb -0.01 -0.18 0.01 0.00 0.27 0.00 0.00 38.32 38.41 1d8j h ASN 18 CO -0.03 0.56 -0.35 0.22 -0.37 0.00 0.00 177.43 177.45 1d8j h TYR 19 N 0.82 -0.92 -0.94 0.67 3.20 -0.32 -0.18 116.97 119.31 1d8j h TYR 19 Ca 0.22 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.16 1d8j h TYR 19 Cb -0.04 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 1d8j h TYR 19 CO -0.02 -0.56 0.58 0.52 -1.64 0.00 0.00 178.16 177.04 1d8j h MET 20 N -1.02 0.97 -0.20 1.82 2.86 -0.95 0.11 114.93 118.51 1d8j h MET 20 Ca -0.10 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1d8j h MET 20 Cb 0.77 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1d8j h MET 20 CO 0.17 0.64 0.11 -0.22 1.06 0.00 0.00 176.91 178.66 1d8j h LYS 21 N 0.99 0.22 0.08 1.72 3.11 -0.64 0.13 116.57 122.18 1d8j h LYS 21 Ca 0.44 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1d8j h LYS 21 Cb 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1d8j h LYS 21 CO -0.22 0.14 -0.04 1.15 -2.81 0.00 0.00 179.45 177.67 1d8j h THR 22 N 0.23 1.11 -0.70 1.00 2.02 -0.02 0.16 112.91 116.71 1d8j h THR 22 Ca 0.08 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1d8j h THR 22 Cb 0.01 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1d8j h THR 22 CO -0.05 0.17 0.46 -0.09 0.37 0.00 0.00 175.52 176.39 1d8j h ARG 23 N -0.43 0.85 -0.38 6.66 2.43 -0.78 -1.05 114.38 121.68 1d8j h ARG 23 Ca -0.01 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1d8j h ARG 23 Cb 0.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1d8j h ARG 23 CO 0.02 0.57 -0.21 1.25 -1.51 0.00 0.00 179.97 180.09 1d8j h HIS 24 N 0.88 0.95 -0.24 2.20 2.76 -0.60 -1.71 115.15 119.38 1d8j h HIS 24 Ca 0.27 -0.24 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1d8j h HIS 24 Cb 0.01 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 1d8j h HIS 24 CO -0.00 1.00 0.09 0.37 -1.30 0.00 0.00 177.93 178.09 1d8j h GLN 25 N 0.62 0.20 -0.23 5.26 4.15 0.55 -2.84 115.11 122.82 1d8j h GLN 25 Ca 0.08 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1d8j h GLN 25 Cb 0.77 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1d8j h GLN 25 CO 0.06 0.13 -0.14 0.07 -1.93 0.00 0.00 178.83 177.02 1d8j h ARG 26 N 0.21 0.38 0.00 1.69 0.11 -1.33 -3.46 114.38 111.98 1d8j h ARG 26 Ca 0.10 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1d8j h ARG 26 Cb 0.06 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1d8j h ARG 26 CO -0.10 0.52 0.00 0.41 0.10 0.00 0.00 179.97 180.90 1d8j n GLY 27 N -0.71 0.77 2.90 0.08 0.00 -1.07 -5.05 105.19 102.11 1d8j n GLY 27 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1d8j n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d8j n ASP 28 N 0.00 3.31 0.00 1.61 9.92 -0.65 -4.59 116.55 126.15 1d8j n ASP 28 Ca 0.00 -2.77 0.15 0.00 -0.53 0.00 0.00 54.79 51.64 1d8j n ASP 28 Cb 0.00 -1.43 0.80 0.00 -0.64 0.00 0.00 41.12 39.84 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1d8j n THR 29 N 5.51 0.02 -1.23 -3.53 -2.24 -1.26 -3.52 114.28 108.03 1d8j n THR 29 Ca 0.51 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.96 1d8j n THR 29 Cb 0.40 -0.51 0.11 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.42 1.94 0.77 4.78 -3.43 -1.26 -4.62 115.29 111.06 1d8j s HIS 30 Ca 0.33 1.65 -0.12 0.00 -0.80 0.00 0.00 55.06 56.12 1d8j s HIS 30 Cb 0.20 -3.44 0.06 0.00 -1.43 0.00 0.00 32.58 27.97 1d8j s HIS 30 CO 0.43 -2.67 1.12 -1.25 -2.00 0.00 0.00 174.74 170.36 1d8j s PRO 31 N -4.12 2.12 -0.00 -0.38 0.04 -1.26 -4.80 135.00 126.60 1d8j s PRO 31 Ca 0.72 1.33 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1d8j s PRO 31 Cb -0.28 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1d8j s PRO 31 CO 0.49 -1.77 -0.04 -0.51 0.04 0.00 0.00 177.00 175.21 1d8j s LEU 32 N -5.78 2.02 1.05 -3.56 1.43 0.08 -4.92 118.68 109.00 1d8j s LEU 32 Ca 0.64 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 1d8j s LEU 32 Cb -0.20 -0.19 0.22 0.00 0.03 0.00 0.00 46.19 46.05 1d8j s LEU 32 CO 0.53 0.04 1.07 0.42 0.23 0.00 0.00 176.35 178.63 1d8j s THR 33 N -0.13 2.15 0.10 5.49 -4.23 -1.26 -1.09 115.64 116.67 1d8j s THR 33 Ca 0.01 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.36 1d8j s THR 33 Cb -0.02 -2.29 -0.11 0.00 1.34 0.00 0.00 72.50 71.43 1d8j s THR 33 CO -0.00 -0.07 1.74 0.25 -0.54 0.00 0.00 174.62 176.00 1d8j h LEU 34 N -2.18 0.12 -0.19 4.79 7.12 -1.95 -2.60 115.31 120.42 1d8j h LEU 34 Ca -0.56 -0.03 0.03 0.00 0.13 0.00 0.00 57.88 57.46 1d8j h LEU 34 Cb 1.32 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 41.38 1d8j h LEU 34 CO 0.52 0.12 -0.03 0.44 -0.13 0.00 0.00 178.44 179.36 1d8j h ASP 35 N 0.12 -0.13 -0.90 1.25 5.19 -2.00 -1.44 116.42 118.51 1d8j h ASP 35 Ca 0.04 0.05 0.18 0.00 -0.62 0.00 0.00 57.03 56.68 1d8j h ASP 35 Cb 0.01 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.55 1d8j h ASP 35 CO -0.01 -0.04 0.59 -0.33 -3.12 0.00 0.00 179.24 176.33 1d8j h GLU 36 N 0.03 0.51 -0.13 3.56 5.08 -1.88 -0.90 114.58 120.85 1d8j h GLU 36 Ca 0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1d8j h GLU 36 Cb 0.12 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1d8j h GLU 36 CO -0.17 0.34 -0.28 0.82 -1.00 0.00 0.00 179.01 178.72 1d8j h ILE 37 N 0.53 1.37 -0.28 3.13 2.04 -0.92 -3.30 117.51 120.07 1d8j h ILE 37 Ca 0.47 -1.55 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1d8j h ILE 37 Cb 1.00 2.06 -0.08 0.00 -0.74 0.00 0.00 36.82 39.06 1d8j h ILE 37 CO -0.21 0.46 -0.46 -0.07 0.00 0.00 0.00 178.15 177.87 1d8j h LEU 38 N 0.00 -1.51 -0.24 1.44 3.38 -0.17 -1.62 115.31 116.59 1d8j h LEU 38 Ca 0.00 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1d8j h LEU 38 Cb 0.87 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 1d8j h LEU 38 CO 0.06 -0.41 -0.34 0.44 0.09 0.00 0.00 178.44 178.28 1d8j h ASP 39 N -0.43 -1.15 -0.00 -0.43 5.19 -1.60 0.78 116.42 118.78 1d8j h ASP 39 Ca 0.09 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1d8j h ASP 39 Cb 0.62 0.47 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 1d8j h ASP 39 CO -0.51 -0.25 0.00 -0.33 -3.12 0.00 0.00 179.24 175.04 1d8j h GLU 40 N -0.25 0.00 -0.02 3.56 5.08 -1.59 -1.05 114.58 120.31 1d8j h GLU 40 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1d8j h GLU 40 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1d8j h GLU 40 CO -0.36 0.00 -0.07 0.25 -1.00 0.00 0.00 179.01 177.83 1d8j n THR 41 N -4.13 0.00 -3.20 1.13 -2.24 -0.53 -4.95 114.28 100.35 1d8j n THR 41 Ca -0.03 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 1d8j n THR 41 Cb 0.09 0.80 0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1d8j n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d8j n GLN 42 N 0.36 -5.26 -2.48 -0.78 3.00 0.06 -4.96 117.38 107.32 1d8j n GLN 42 Ca 0.16 0.56 -0.15 0.00 -0.01 0.00 0.00 57.00 57.56 1d8j n GLN 42 Cb 0.43 -4.77 0.03 0.00 0.00 0.00 0.00 30.24 25.92 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1d8j n HIS 43 N -4.06 2.15 -0.04 1.08 8.25 -0.01 -4.86 115.22 117.73 1d8j n HIS 43 Ca -0.02 -2.50 -0.12 0.00 -0.26 0.00 0.00 57.72 54.82 1d8j n HIS 43 Cb 0.55 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 1d8j n HIS 43 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1d8j h LEU 44 N 2.55 -0.02 -0.96 2.41 6.46 -1.89 -3.28 115.31 120.58 1d8j h LEU 44 Ca 0.12 -0.73 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 1d8j h LEU 44 Cb 1.26 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 1d8j h LEU 44 CO 0.56 0.77 0.55 0.44 -0.62 0.00 0.00 178.44 180.13 1d8j h ASP 45 N -0.87 1.13 0.00 1.25 5.19 -1.96 -3.43 116.42 117.73 1d8j h ASP 45 Ca -0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1d8j h ASP 45 Cb 0.75 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1d8j h ASP 45 CO 0.00 0.87 0.00 0.00 -3.12 0.00 0.00 179.24 177.00 1d8j n ILE 46 N -4.35 0.00 0.00 0.35 3.06 -1.24 -4.81 119.36 112.37 1d8j n ILE 46 Ca 0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1d8j n ILE 46 Cb 0.07 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.25 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 3.77 0.36 4.50 0.00 -1.26 -4.95 105.19 107.60 1d8j n GLY 47 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 0.90 0.51 0.99 5.85 -1.98 0.83 115.31 122.41 1d8j h LEU 48 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1d8j h LEU 48 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1d8j h LEU 48 CO 0.00 0.45 -0.46 0.50 -0.34 0.00 0.00 178.44 178.59 1d8j h LYS 49 N 0.95 -0.93 0.01 1.25 3.11 -1.99 0.13 116.57 119.09 1d8j h LYS 49 Ca 0.52 0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 58.42 1d8j h LYS 49 Cb 0.58 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1d8j h LYS 49 CO -0.29 -0.62 -0.00 1.96 -2.81 0.00 0.00 179.45 177.68 1d8j h GLN 50 N -0.97 -0.01 -0.67 1.90 4.20 -1.84 -1.31 115.11 116.41 1d8j h GLN 50 Ca -0.06 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.78 1d8j h GLN 50 Cb 0.83 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.49 1d8j h GLN 50 CO -0.03 0.34 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.03 1d8j h LYS 51 N -0.37 -0.04 -0.18 1.46 1.63 -0.83 0.24 116.57 118.48 1d8j h LYS 51 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1d8j h LYS 51 Cb 0.36 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1d8j h LYS 51 CO 0.00 -0.03 0.05 0.37 -3.45 0.00 0.00 179.45 176.39 1d8j h GLN 52 N -0.05 0.29 -0.88 1.90 5.75 -0.92 -2.55 115.11 118.66 1d8j h GLN 52 Ca 0.31 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.81 1d8j h GLN 52 Cb 0.52 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.97 1d8j h GLN 52 CO -0.71 0.43 0.54 2.35 -2.65 0.00 0.00 178.83 178.79 1d8j h TRP 53 N 0.11 1.00 -0.42 3.99 7.01 0.01 0.63 115.95 128.27 1d8j h TRP 53 Ca 0.06 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1d8j h TRP 53 Cb 0.26 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1d8j h TRP 53 CO 0.01 0.48 0.25 -0.07 -2.79 0.00 0.00 178.44 176.32 1d8j h LEU 54 N 0.96 0.51 -0.16 0.65 3.38 -0.43 0.65 115.31 120.87 1d8j h LEU 54 Ca 0.40 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1d8j h LEU 54 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1d8j h LEU 54 CO -0.19 0.43 -0.02 0.24 0.09 0.00 0.00 178.44 178.98 1d8j h MET 55 N 0.55 0.30 -0.59 1.13 2.86 -0.90 0.17 114.93 118.46 1d8j h MET 55 Ca 0.15 -0.11 -0.36 0.00 -2.06 0.00 0.00 59.70 57.32 1d8j h MET 55 Cb 0.01 -0.02 -0.22 0.00 0.06 0.00 0.00 31.60 31.43 1d8j h MET 55 CO -0.03 0.55 0.00 0.25 1.06 0.00 0.00 176.91 178.74 1d8j n THR 56 N -4.71 2.79 0.05 2.22 -2.24 0.13 -4.66 114.28 107.86 1d8j n THR 56 Ca -0.05 -2.98 0.00 0.00 -2.27 0.00 0.00 64.05 58.75 1d8j n THR 56 Cb 0.24 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1d8j n GLU 57 N -1.02 0.00 0.33 -0.78 0.00 0.10 -4.93 120.64 114.34 1d8j n GLU 57 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.46 1d8j n GLU 57 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 32.41 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1d8j h ALA 58 N 0.00 -1.05 0.00 4.31 0.00 -1.26 -1.36 119.26 119.90 1d8j h ALA 58 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1d8j h ALA 58 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1d8j h ALA 58 CO 0.00 -0.99 0.00 1.28 0.00 0.00 0.00 179.25 179.54 1d8j n LEU 59 N -4.70 2.55 0.00 0.00 4.77 0.05 -1.30 117.00 118.36 1d8j n LEU 59 Ca -0.11 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1d8j n LEU 59 Cb 0.34 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1d8j n LEU 59 CO 0.26 0.44 -0.13 1.33 -1.33 0.00 0.00 177.39 177.96 1d8j n VAL 60 N 0.40 0.00 -0.00 4.08 0.24 -1.19 -4.85 118.33 117.01 1d8j n VAL 60 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1d8j n VAL 60 Cb 0.44 -0.14 -0.14 0.00 -1.47 0.00 0.00 33.84 32.53 1d8j n VAL 60 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1d8j h ASN 61 N 0.00 0.03 -2.41 -1.34 2.35 -1.17 -3.46 115.58 109.57 1d8j h ASN 61 Ca 0.00 -0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 1d8j h ASN 61 Cb 0.26 -0.01 0.02 0.00 0.05 0.00 0.00 38.32 38.64 1d8j h ASN 61 CO 0.00 1.05 1.21 0.21 -1.65 0.00 0.00 177.43 178.24 1d8j s ASN 62 N -6.26 6.46 0.29 5.81 3.84 -0.42 -4.89 114.94 119.77 1d8j s ASN 62 Ca -0.04 2.65 -0.01 0.00 0.21 0.00 0.00 52.86 55.67 1d8j s ASN 62 Cb 0.08 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.68 1d8j s ASN 62 CO 0.82 -1.04 1.85 1.55 -2.79 0.00 0.00 177.10 177.50 1d8j h PRO 63 N 10.25 0.83 0.00 0.43 0.13 -1.90 -2.43 132.00 139.31 1d8j h PRO 63 Ca -0.48 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1d8j h PRO 63 Cb 1.23 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1d8j h PRO 63 CO 0.94 0.72 -0.02 0.87 -0.23 0.00 0.00 178.00 180.28 1d8j h LYS 64 N 0.81 0.00 -5.34 0.86 1.79 -1.91 -3.41 116.57 109.37 1d8j h LYS 64 Ca 0.18 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 58.03 1d8j h LYS 64 Cb 0.24 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.75 1d8j h LYS 64 CO -0.01 0.02 0.00 0.42 -1.08 0.00 0.00 179.45 178.80 1d8j s ILE 65 N -3.85 5.02 -0.23 1.86 -1.09 -0.92 -0.42 121.20 121.57 1d8j s ILE 65 Ca -0.01 0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 58.98 1d8j s ILE 65 Cb 0.11 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1d8j s ILE 65 CO 0.51 -0.09 0.05 -0.70 -1.23 0.00 0.00 174.94 173.47 1d8j s GLU 66 N 2.42 3.68 -0.21 2.79 2.12 0.34 -4.83 118.70 125.01 1d8j s GLU 66 Ca 0.21 -0.48 -0.26 0.00 0.36 0.00 0.00 54.97 54.81 1d8j s GLU 66 Cb -0.15 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1d8j s GLU 66 CO 0.12 -0.07 0.88 0.08 -0.54 0.00 0.00 175.26 175.72 1d8j s VAL 67 N 1.28 4.82 0.00 3.70 1.01 -1.26 -0.77 120.40 129.18 1d8j s VAL 67 Ca 0.04 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1d8j s VAL 67 Cb -0.15 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1d8j s VAL 67 CO 0.03 -0.06 0.00 -0.38 0.00 0.00 0.00 175.10 174.69 1d8j n ILE 68 N 5.08 0.00 -1.21 2.22 5.41 -1.09 -4.86 119.36 124.91 1d8j n ILE 68 Ca 0.07 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.60 1d8j n ILE 68 Cb 0.48 -0.01 -0.11 0.00 -0.71 0.00 0.00 39.64 39.28 1d8j n ILE 68 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1d8j n ASP 69 N 0.00 6.39 0.00 4.38 2.03 -1.26 -4.64 116.55 123.45 1d8j n ASP 69 Ca 0.00 -2.67 0.00 0.00 0.52 0.00 0.00 54.79 52.64 1d8j n ASP 69 Cb 0.00 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.99 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 2.41 1.72 3.86 0.27 0.00 -1.26 -4.94 105.19 107.24 1d8j n GLY 70 Ca 0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 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 0.49 -0.16 1.61 1.02 -1.26 -5.02 119.74 116.41 1d8j s LYS 71 Ca 0.00 -0.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 1d8j s LYS 71 Cb 0.00 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1d8j s LYS 71 CO 0.00 -2.54 -0.03 0.71 -0.92 0.00 0.00 175.35 172.56 1d8j s TYR 72 N -3.65 3.02 0.42 3.18 2.02 -0.25 -2.67 117.35 119.42 1d8j s TYR 72 Ca 0.71 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 57.14 1d8j s TYR 72 Cb -0.06 -1.97 -0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1d8j s TYR 72 CO 0.53 -0.06 0.02 0.00 -1.57 0.00 0.00 175.55 174.47 1d8j s ALA 73 N 0.44 3.21 0.08 3.71 0.00 0.05 -0.74 121.76 128.51 1d8j s ALA 73 Ca -0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.11 1d8j s ALA 73 Cb -0.14 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1d8j s ALA 73 CO 0.03 -0.15 0.31 0.12 0.00 0.00 0.00 175.76 176.07 1d8j s PHE 74 N -2.89 3.52 -0.42 0.00 2.19 -1.26 -0.50 117.98 118.62 1d8j s PHE 74 Ca 0.28 0.50 -0.12 0.00 0.33 0.00 0.00 56.93 57.93 1d8j s PHE 74 Cb 0.07 -1.95 0.06 0.00 -1.31 0.00 0.00 43.02 39.89 1d8j s PHE 74 CO 0.14 0.53 0.28 0.21 1.83 0.00 0.00 175.22 178.20 1d8j s LYS 75 N -2.32 2.78 -0.14 10.12 2.20 0.44 -4.71 119.74 128.11 1d8j s LYS 75 Ca 0.35 -1.29 -0.21 0.00 -0.36 0.00 0.00 55.97 54.46 1d8j s LYS 75 Cb -0.13 -3.86 -0.19 0.00 -1.51 0.00 0.00 37.83 32.15 1d8j s LYS 75 CO 0.23 -0.88 0.49 -1.00 -0.36 0.00 0.00 175.35 173.83 1d8j h PRO 76 N 8.51 0.00 -6.79 4.03 0.13 -1.93 -3.43 132.00 132.52 1d8j h PRO 76 Ca -0.25 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.31 1d8j h PRO 76 Cb 1.10 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.40 1d8j h PRO 76 CO 0.75 0.76 -0.08 1.17 -0.23 0.00 0.00 178.00 180.38 1d8j n LYS 77 N -4.62 0.56 -3.97 0.86 4.81 -1.26 -0.97 118.16 113.57 1d8j n LYS 77 Ca -0.11 0.23 -0.26 0.00 -0.87 0.00 0.00 58.31 57.30 1d8j n LYS 77 Cb 0.41 -2.05 -0.08 0.00 0.02 0.00 0.00 35.03 33.33 1d8j n LYS 77 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1d8j n TYR 78 N -2.18 -1.01 0.00 5.64 4.11 -1.26 -4.45 117.16 118.01 1d8j n TYR 78 Ca 0.12 0.50 0.00 0.00 -0.00 0.00 0.00 57.90 58.52 1d8j n TYR 78 Cb 0.49 -2.20 0.00 0.00 -0.00 0.00 0.00 39.34 37.63 1d8j n TYR 78 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1d8j n ASN 79 N -2.24 0.00 -4.35 9.48 2.85 -1.19 -5.14 115.26 114.67 1d8j n ASN 79 Ca -0.24 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 53.97 1d8j n ASN 79 Cb 0.55 0.37 -0.12 0.00 1.24 0.00 0.00 39.78 41.82 1d8j n ASN 79 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1d8j s VAL 80 N -1.97 2.02 0.00 3.44 1.01 -0.14 -5.12 120.40 119.64 1d8j s VAL 80 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1d8j s VAL 80 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1d8j s VAL 80 CO 0.00 -0.05 0.32 0.54 0.00 0.00 0.00 175.10 175.92