#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 3.45 -1.57 0.00 2.96 -1.26 -4.87 118.68 117.40 1d8j s LEU 2 Ca 0.00 -1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 52.28 1d8j s LEU 2 Cb 0.00 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1d8j s LEU 2 CO 0.00 -1.88 2.70 -1.54 -1.32 0.00 0.00 176.35 174.31 1d8j n SER 3 N 10.51 7.09 0.00 3.68 3.41 -1.26 -4.65 113.62 132.39 1d8j n SER 3 Ca 0.39 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1d8j n SER 3 Cb 0.49 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d8j n GLY 4 N 3.72 -0.85 7.00 5.00 0.00 -1.26 -4.79 105.19 114.02 1d8j n GLY 4 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1d8j n SER 5 N -1.70 0.00 -1.74 1.61 3.41 -1.26 -0.53 113.62 113.40 1d8j n SER 5 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1d8j n SER 5 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1d8j n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1d8j n SER 6 N 1.59 3.58 0.18 4.04 3.41 -1.26 -4.25 113.62 120.90 1d8j n SER 6 Ca 0.00 -2.98 0.06 0.00 -0.26 0.00 0.00 58.87 55.69 1d8j n SER 6 Cb 0.00 -0.71 0.20 0.00 -0.26 0.00 0.00 64.21 63.44 1d8j n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1d8j h GLY 7 N 2.40 0.00 -6.43 5.00 0.00 -1.12 -3.29 103.07 99.63 1d8j h GLY 7 Ca 0.35 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.08 1d8j h GLY 7 CO 0.66 0.00 1.34 2.98 0.00 0.00 0.00 176.54 181.53 1d8j n TYR 8 N -3.28 2.07 0.00 5.60 9.36 -1.26 -0.58 117.16 129.07 1d8j n TYR 8 Ca 0.01 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1d8j n TYR 8 Cb 0.60 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 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 7.95 0.00 -0.24 2.98 5.02 -1.26 -4.36 118.16 128.25 1d8j n LYS 9 Ca 0.29 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.62 1d8j n LYS 9 Cb 0.36 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.65 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 0.91 -0.13 2.13 0.04 -1.75 0.59 116.94 118.73 1d8j h PHE 10 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1d8j h PHE 10 Cb 0.00 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1d8j h PHE 10 CO 0.00 0.51 0.03 0.78 -0.60 0.00 0.00 178.31 179.03 1d8j h GLY 11 N 0.92 0.23 1.01 -1.45 0.00 -0.91 -0.02 103.07 102.85 1d8j h GLY 11 Ca 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1d8j h GLY 11 CO -0.11 0.13 0.45 -2.08 0.00 0.00 0.00 176.54 174.93 1d8j h VAL 12 N 0.02 1.22 -0.23 4.60 2.07 -1.42 -0.83 116.25 121.67 1d8j h VAL 12 Ca 0.04 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1d8j h VAL 12 Cb 0.25 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1d8j h VAL 12 CO 0.00 0.23 0.14 0.25 0.02 0.00 0.00 177.57 178.21 1d8j h LEU 13 N 1.04 0.28 -0.61 2.57 5.85 -0.70 0.20 115.31 123.93 1d8j h LEU 13 Ca 0.27 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1d8j h LEU 13 Cb -0.02 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1d8j h LEU 13 CO -0.05 0.25 0.38 0.00 -0.34 0.00 0.00 178.44 178.68 1d8j h ALA 14 N 1.05 0.79 -0.26 1.25 0.00 -0.63 0.60 119.26 122.07 1d8j h ALA 14 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1d8j h ALA 14 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1d8j h ALA 14 CO -0.02 0.14 0.16 -0.22 0.00 0.00 0.00 179.25 179.31 1d8j h LYS 15 N 0.76 0.35 -0.07 0.00 1.63 -0.79 -0.32 116.57 118.13 1d8j h LYS 15 Ca 0.24 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1d8j h LYS 15 Cb -0.00 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1d8j h LYS 15 CO -0.09 0.27 0.01 0.82 -3.45 0.00 0.00 179.45 177.01 1d8j h ILE 16 N 0.33 0.97 -0.71 2.00 2.04 -0.47 -0.48 117.51 121.19 1d8j h ILE 16 Ca 0.09 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1d8j h ILE 16 Cb 0.00 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1d8j h ILE 16 CO -0.02 0.01 0.38 0.58 0.00 0.00 0.00 178.15 179.10 1d8j h VAL 17 N 0.05 0.91 -0.12 1.67 2.07 -0.67 0.72 116.25 120.87 1d8j h VAL 17 Ca 0.03 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1d8j h VAL 17 Cb 0.02 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1d8j h VAL 17 CO -0.04 0.12 0.02 -1.13 0.02 0.00 0.00 177.57 176.57 1d8j h ASN 18 N 0.67 0.19 0.02 0.57 -1.24 -0.63 -1.42 115.58 113.74 1d8j h ASN 18 Ca 0.33 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1d8j h ASN 18 Cb 0.28 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1d8j h ASN 18 CO -0.23 0.40 -0.01 0.22 -1.29 0.00 0.00 177.43 176.52 1d8j h TYR 19 N -0.02 -0.03 -0.57 0.67 3.20 -0.70 -1.55 116.97 117.97 1d8j h TYR 19 Ca 0.04 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1d8j h TYR 19 Cb 0.29 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 1d8j h TYR 19 CO 0.02 0.07 0.26 0.52 -1.64 0.00 0.00 178.16 177.38 1d8j h MET 20 N -0.12 0.47 -0.73 1.82 2.86 -0.86 -1.21 114.93 117.16 1d8j h MET 20 Ca -0.00 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1d8j h MET 20 Cb 0.11 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 1d8j h MET 20 CO 0.01 0.31 0.45 -0.22 1.06 0.00 0.00 176.91 178.52 1d8j h LYS 21 N 0.48 0.85 0.13 1.72 3.11 -1.04 -0.80 116.57 121.02 1d8j h LYS 21 Ca 0.27 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1d8j h LYS 21 Cb 0.24 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1d8j h LYS 21 CO -0.22 0.56 -0.06 1.15 -2.81 0.00 0.00 179.45 178.07 1d8j h THR 22 N 0.87 0.91 -0.29 1.00 2.02 -0.20 0.37 112.91 117.59 1d8j h THR 22 Ca 0.30 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 1d8j h THR 22 Cb 0.05 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1d8j h THR 22 CO -0.12 0.03 -0.13 0.08 0.37 0.00 0.00 175.52 175.75 1d8j h ARG 23 N -0.24 0.49 -0.36 6.66 0.11 -1.24 0.35 114.38 120.15 1d8j h ARG 23 Ca -0.02 -0.14 -0.07 0.00 0.10 0.00 0.00 59.98 59.85 1d8j h ARG 23 Cb 0.19 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 1d8j h ARG 23 CO 0.03 0.62 -0.08 1.25 0.10 0.00 0.00 179.97 181.89 1d8j h HIS 24 N 0.45 0.64 -0.30 4.08 2.76 -0.82 0.52 115.15 122.49 1d8j h HIS 24 Ca 0.08 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 1d8j h HIS 24 Cb 0.50 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1d8j h HIS 24 CO 0.02 0.66 -0.29 0.37 -1.30 0.00 0.00 177.93 177.39 1d8j h GLN 25 N 0.56 0.73 -0.40 5.26 4.15 0.78 -3.20 115.11 122.99 1d8j h GLN 25 Ca 0.11 -0.38 -0.08 0.00 0.77 0.00 0.00 58.65 59.07 1d8j h GLN 25 Cb 0.47 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1d8j h GLN 25 CO 0.03 1.00 -0.08 0.07 -1.93 0.00 0.00 178.83 177.92 1d8j h ARG 26 N 0.48 0.68 0.00 1.69 0.11 -0.75 -3.46 114.38 113.13 1d8j h ARG 26 Ca 0.05 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1d8j h ARG 26 Cb 0.86 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1d8j h ARG 26 CO 0.07 0.76 0.00 0.41 0.10 0.00 0.00 179.97 181.31 1d8j n GLY 27 N -0.57 0.42 2.71 0.08 0.00 -0.89 -5.05 105.19 101.89 1d8j n GLY 27 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 4.72 0.00 1.61 9.92 0.12 -4.60 116.55 128.32 1d8j n ASP 28 Ca 0.00 -2.68 0.12 0.00 -0.53 0.00 0.00 54.79 51.70 1d8j n ASP 28 Cb 0.00 -1.44 0.67 0.00 -0.64 0.00 0.00 41.12 39.70 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 4.88 0.15 -1.43 -3.53 -2.24 -1.26 -3.61 114.28 107.24 1d8j n THR 29 Ca 0.56 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 62.05 1d8j n THR 29 Cb 0.33 -0.63 0.09 0.00 -2.10 0.00 0.00 70.33 68.02 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 2.29 0.82 4.78 -3.43 -1.26 -4.90 115.29 111.17 1d8j s HIS 30 Ca 0.28 1.60 -0.11 0.00 -0.80 0.00 0.00 55.06 56.03 1d8j s HIS 30 Cb 0.17 -3.28 0.09 0.00 -1.43 0.00 0.00 32.58 28.13 1d8j s HIS 30 CO 0.36 -2.17 1.09 -1.25 -2.00 0.00 0.00 174.74 170.77 1d8j s PRO 31 N -4.23 1.85 0.03 -0.38 0.04 -1.26 -4.91 135.00 126.13 1d8j s PRO 31 Ca 0.69 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1d8j s PRO 31 Cb -0.23 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1d8j s PRO 31 CO 0.47 -1.88 -0.05 -0.51 0.04 0.00 0.00 177.00 175.08 1d8j s LEU 32 N -6.03 2.25 0.81 -3.56 1.43 -0.41 -4.95 118.68 108.23 1d8j s LEU 32 Ca 0.62 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1d8j s LEU 32 Cb -0.17 0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.14 1d8j s LEU 32 CO 0.56 -0.28 1.14 0.42 0.23 0.00 0.00 176.35 178.42 1d8j s THR 33 N -1.50 2.50 0.18 5.49 -4.23 -1.26 -0.79 115.64 116.03 1d8j s THR 33 Ca -0.13 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1d8j s THR 33 Cb -0.10 -3.05 0.07 0.00 1.34 0.00 0.00 72.50 70.76 1d8j s THR 33 CO -0.01 -0.21 1.83 0.25 -0.54 0.00 0.00 174.62 175.94 1d8j h LEU 34 N -1.09 0.57 0.24 4.79 7.12 -1.95 -0.61 115.31 124.38 1d8j h LEU 34 Ca -0.47 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1d8j h LEU 34 Cb 1.30 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 1d8j h LEU 34 CO 0.63 0.41 -0.25 -0.78 -0.13 0.00 0.00 178.44 178.32 1d8j h ASP 35 N 0.68 -0.66 -0.78 1.25 3.58 -1.99 -0.69 116.42 117.81 1d8j h ASP 35 Ca 0.21 0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.82 1d8j h ASP 35 Cb -0.03 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.18 1d8j h ASP 35 CO -0.07 -0.36 0.42 -0.33 -2.88 0.00 0.00 179.24 176.02 1d8j h GLU 36 N -0.52 0.68 0.71 0.28 5.08 -1.88 -0.61 114.58 118.32 1d8j h GLU 36 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1d8j h GLU 36 Cb 0.49 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1d8j h GLU 36 CO -0.06 0.45 -0.38 0.82 -1.00 0.00 0.00 179.01 178.84 1d8j h ILE 37 N 0.70 0.00 -0.83 3.13 2.04 -0.62 -2.65 117.51 119.28 1d8j h ILE 37 Ca 0.39 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.35 1d8j h ILE 37 Cb 0.40 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1d8j h ILE 37 CO -0.27 0.00 0.47 -0.07 0.00 0.00 0.00 178.15 178.28 1d8j h LEU 38 N -1.00 0.67 -0.09 1.44 3.38 -0.88 -1.14 115.31 117.68 1d8j h LEU 38 Ca -0.10 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1d8j h LEU 38 Cb 0.78 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1d8j h LEU 38 CO 0.14 0.37 -0.31 -0.78 0.09 0.00 0.00 178.44 177.95 1d8j h ASP 39 N 0.78 -0.95 0.01 -0.43 3.58 -1.04 0.89 116.42 119.25 1d8j h ASP 39 Ca 0.41 0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.95 1d8j h ASP 39 Cb 0.40 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1d8j h ASP 39 CO -0.26 -0.36 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.30 1d8j h GLU 40 N -0.41 0.23 -0.46 0.28 5.08 -1.06 -0.45 114.58 117.80 1d8j h GLU 40 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1d8j h GLU 40 Cb 0.54 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1d8j h GLU 40 CO -0.32 0.36 0.00 2.41 -1.00 0.00 0.00 179.01 180.46 1d8j n THR 41 N -4.29 0.42 0.00 1.13 -1.04 -0.27 -4.93 114.28 105.30 1d8j n THR 41 Ca -0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1d8j n THR 41 Cb 0.26 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1d8j n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d8j n GLN 42 N 0.09 0.00 -1.85 -2.82 6.02 0.15 -4.82 117.38 114.14 1d8j n GLN 42 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 1d8j n GLN 42 Cb 0.28 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.48 1d8j n GLN 42 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1d8j n HIS 43 N 0.00 2.51 0.09 1.08 1.44 -1.21 -4.62 115.22 114.51 1d8j n HIS 43 Ca 0.00 -1.52 -0.12 0.00 -2.01 0.00 0.00 57.72 54.06 1d8j n HIS 43 Cb 0.00 -2.41 -0.08 0.00 0.12 0.00 0.00 29.99 27.63 1d8j n HIS 43 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1d8j h LEU 44 N 16.93 0.35 0.30 2.39 6.46 -1.88 -3.30 115.31 136.57 1d8j h LEU 44 Ca 0.26 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1d8j h LEU 44 Cb 0.88 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1d8j h LEU 44 CO 1.39 1.19 -0.15 -0.78 -0.62 0.00 0.00 178.44 179.48 1d8j h ASP 45 N 0.11 -0.34 0.00 1.25 3.58 -1.94 -3.45 116.42 115.62 1d8j h ASP 45 Ca -0.08 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1d8j h ASP 45 Cb 1.73 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.87 1d8j h ASP 45 CO 0.17 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 1d8j n ILE 46 N -5.09 0.00 0.00 2.25 3.06 -1.24 -4.49 119.36 113.85 1d8j n ILE 46 Ca -0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1d8j n ILE 46 Cb 0.27 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.45 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 3.86 0.30 4.50 0.00 -1.26 -4.91 105.19 107.67 1d8j n GLY 47 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -1.08 0.99 5.85 -1.98 0.24 115.31 119.33 1d8j h LEU 48 Ca 0.00 0.18 0.17 0.00 0.84 0.00 0.00 57.88 59.07 1d8j h LEU 48 Cb 0.00 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1d8j h LEU 48 CO 0.00 -0.11 0.61 0.07 -0.34 0.00 0.00 178.44 178.67 1d8j h LYS 49 N 0.23 0.77 0.03 1.25 2.10 -1.97 0.40 116.57 119.39 1d8j h LYS 49 Ca 0.50 -0.05 -0.22 0.00 -2.00 0.00 0.00 60.65 58.89 1d8j h LYS 49 Cb 0.96 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 1d8j h LYS 49 CO -0.61 0.51 -1.19 1.96 -2.00 0.00 0.00 179.45 178.13 1d8j h GLN 50 N 0.80 0.06 -0.64 0.07 4.20 -1.09 -3.12 115.11 115.39 1d8j h GLN 50 Ca 0.53 -0.11 0.13 0.00 0.06 0.00 0.00 58.65 59.27 1d8j h GLN 50 Cb 0.78 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.49 1d8j h GLN 50 CO -0.31 1.05 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.62 1d8j h LYS 51 N -0.79 0.06 -0.17 1.46 3.64 -0.47 0.23 116.57 120.53 1d8j h LYS 51 Ca -0.30 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1d8j h LYS 51 Cb 1.41 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1d8j h LYS 51 CO -0.11 0.04 0.02 0.37 -2.27 0.00 0.00 179.45 177.50 1d8j h GLN 52 N 0.06 0.29 -0.99 1.90 4.15 -1.09 -2.76 115.11 116.67 1d8j h GLN 52 Ca 0.33 -0.08 0.09 0.00 0.77 0.00 0.00 58.65 59.76 1d8j h GLN 52 Cb 0.53 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 1d8j h GLN 52 CO -0.60 0.47 0.62 2.35 -1.93 0.00 0.00 178.83 179.74 1d8j h TRP 53 N 0.07 1.14 -0.16 3.99 7.01 -1.15 -0.13 115.95 126.71 1d8j h TRP 53 Ca 0.05 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.10 1d8j h TRP 53 Cb 0.32 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1d8j h TRP 53 CO 0.02 0.51 0.05 -0.07 -2.79 0.00 0.00 178.44 176.17 1d8j h LEU 54 N 1.05 0.05 -0.14 0.65 3.38 -0.45 0.65 115.31 120.51 1d8j h LEU 54 Ca 0.46 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1d8j h LEU 54 Cb 0.34 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1d8j h LEU 54 CO -0.22 0.06 0.03 0.24 0.09 0.00 0.00 178.44 178.63 1d8j h MET 55 N 0.13 0.23 -0.65 1.13 2.86 -0.98 -0.46 114.93 117.19 1d8j h MET 55 Ca 0.07 -0.06 -0.41 0.00 -2.06 0.00 0.00 59.70 57.24 1d8j h MET 55 Cb 0.04 -0.03 -0.24 0.00 0.06 0.00 0.00 31.60 31.43 1d8j h MET 55 CO -0.07 0.40 0.04 0.25 1.06 0.00 0.00 176.91 178.58 1d8j n THR 56 N -4.82 2.86 0.00 2.22 -2.24 -0.17 -4.47 114.28 107.66 1d8j n THR 56 Ca -0.05 -3.04 0.00 0.00 -2.27 0.00 0.00 64.05 58.69 1d8j n THR 56 Cb 0.17 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.99 0.00 -0.00 -0.78 0.00 0.05 -4.94 120.64 113.98 1d8j n GLU 57 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.51 1d8j n GLU 57 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.42 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 0.73 -0.25 0.00 4.31 0.00 -1.12 -1.64 119.26 121.29 1d8j h ALA 58 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1d8j h ALA 58 Cb 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1d8j h ALA 58 CO 0.00 -0.72 -0.01 -0.07 0.00 0.00 0.00 179.25 178.45 1d8j h LEU 59 N -0.32 0.00 0.01 0.00 3.38 -1.30 -3.28 115.31 113.79 1d8j h LEU 59 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1d8j h LEU 59 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1d8j h LEU 59 CO -0.32 0.01 -0.01 0.58 0.09 0.00 0.00 178.44 178.79 1d8j h VAL 60 N 0.00 0.00 -0.90 1.22 2.07 -1.55 -3.34 116.25 113.76 1d8j h VAL 60 Ca -0.00 -0.01 -0.73 0.00 0.82 0.00 0.00 66.70 66.78 1d8j h VAL 60 Cb 1.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 1d8j h VAL 60 CO 0.00 0.00 2.74 -0.46 0.02 0.00 0.00 177.57 179.87 1d8j n ASN 61 N -2.08 8.18 -4.45 0.57 6.94 -0.68 -4.86 115.26 118.88 1d8j n ASN 61 Ca -0.00 -3.02 -0.36 0.00 -0.02 0.00 0.00 54.58 51.19 1d8j n ASN 61 Cb 0.01 -1.41 -0.12 0.00 -2.36 0.00 0.00 39.78 35.90 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1d8j s ASN 62 N 0.78 4.97 0.60 0.53 3.84 -1.24 -4.92 114.94 119.51 1d8j s ASN 62 Ca 0.57 -0.20 0.40 0.00 0.21 0.00 0.00 52.86 53.85 1d8j s ASN 62 Cb 0.18 -1.87 2.01 0.00 -0.55 0.00 0.00 41.25 41.02 1d8j s ASN 62 CO -0.09 0.03 2.20 1.55 -2.79 0.00 0.00 177.10 178.00 1d8j h PRO 63 N 7.78 0.00 0.00 0.43 0.13 -1.91 -2.94 132.00 135.50 1d8j h PRO 63 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1d8j h PRO 63 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1d8j h PRO 63 CO 0.60 0.00 -0.14 1.63 -0.23 0.00 0.00 178.00 179.86 1d8j n LYS 64 N -3.02 0.94 -3.73 0.86 5.02 -1.26 -4.92 118.16 112.05 1d8j n LYS 64 Ca -0.02 -2.09 -0.13 0.00 -2.02 0.00 0.00 58.31 54.06 1d8j n LYS 64 Cb 0.15 -1.20 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 1d8j n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d8j s ILE 65 N -1.99 -0.05 0.17 -0.18 1.01 -1.11 -0.59 121.20 118.45 1d8j s ILE 65 Ca 0.22 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.10 1d8j s ILE 65 Cb 0.19 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 1d8j s ILE 65 CO 0.02 0.06 -0.02 -0.70 0.00 0.00 0.00 174.94 174.30 1d8j s GLU 66 N 1.28 2.34 -0.02 2.79 2.56 0.58 -4.21 118.70 124.02 1d8j s GLU 66 Ca -0.09 -1.12 -0.00 0.00 0.00 0.00 0.00 54.97 53.76 1d8j s GLU 66 Cb -0.11 -2.33 -0.04 0.00 2.00 0.00 0.00 34.13 33.66 1d8j s GLU 66 CO -0.08 0.46 0.04 0.08 -0.56 0.00 0.00 175.26 175.20 1d8j s VAL 67 N -1.68 4.48 0.00 3.70 1.01 -1.26 -1.07 120.40 125.57 1d8j s VAL 67 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1d8j s VAL 67 Cb -0.09 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1d8j s VAL 67 CO 0.18 0.40 0.00 -0.38 0.00 0.00 0.00 175.10 175.30 1d8j n ILE 68 N 1.41 0.00 -1.43 2.22 5.41 -0.82 -4.97 119.36 121.19 1d8j n ILE 68 Ca -0.15 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.21 1d8j n ILE 68 Cb 0.53 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 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 5.88 0.00 4.38 2.03 -1.26 -4.49 116.55 123.09 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 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 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 3.89 1.59 3.79 0.27 0.00 -1.26 -4.97 105.19 108.51 1d8j n GLY 70 Ca 0.62 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 1d8j n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d8j s LYS 71 N 0.00 0.93 0.08 1.61 0.00 -1.26 -4.85 119.74 116.26 1d8j s LYS 71 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 55.97 56.25 1d8j s LYS 71 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 37.83 35.97 1d8j s LYS 71 CO 0.00 -2.32 -0.23 0.71 0.00 0.00 0.00 175.35 173.51 1d8j s TYR 72 N -3.32 2.00 -0.01 1.78 1.51 0.03 -1.94 117.35 117.40 1d8j s TYR 72 Ca 0.65 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 1d8j s TYR 72 Cb -0.13 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1d8j s TYR 72 CO 0.53 0.19 0.01 0.00 -1.11 0.00 0.00 175.55 175.18 1d8j s ALA 73 N -0.98 0.03 0.14 3.71 0.00 -0.24 -1.28 121.76 123.15 1d8j s ALA 73 Ca 0.09 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1d8j s ALA 73 Cb -0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 1d8j s ALA 73 CO 0.04 -0.04 1.47 0.12 0.00 0.00 0.00 175.76 177.35 1d8j s PHE 74 N 0.37 3.15 0.02 0.00 5.36 -1.26 -0.31 117.98 125.32 1d8j s PHE 74 Ca -0.03 0.80 -0.30 0.00 -0.96 0.00 0.00 56.93 56.44 1d8j s PHE 74 Cb -0.05 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.79 1d8j s PHE 74 CO -0.01 -2.88 1.08 0.21 -1.46 0.00 0.00 175.22 172.16 1d8j s LYS 75 N 1.06 4.50 0.85 10.12 2.20 0.24 -4.79 119.74 133.91 1d8j s LYS 75 Ca 0.67 1.57 -0.14 0.00 -0.36 0.00 0.00 55.97 57.71 1d8j s LYS 75 Cb -0.40 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1d8j s LYS 75 CO 0.31 -0.15 0.61 -2.30 -0.36 0.00 0.00 175.35 173.46 1d8j n PRO 76 N 3.95 -0.01 -0.22 4.03 -0.02 -1.26 -4.75 135.00 136.73 1d8j n PRO 76 Ca 0.07 0.05 0.03 0.00 -2.02 0.00 0.00 63.50 61.64 1d8j n PRO 76 Cb 0.49 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1d8j n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1d8j n LYS 77 N -1.70 -0.44 -1.31 -0.52 5.02 -1.26 -4.89 118.16 113.05 1d8j n LYS 77 Ca 0.09 0.29 -0.04 0.00 -2.02 0.00 0.00 58.31 56.63 1d8j n LYS 77 Cb 0.52 -0.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.97 1d8j n LYS 77 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1d8j n TYR 78 N -1.41 -0.45 -3.28 2.13 0.18 -1.26 -5.02 117.16 108.05 1d8j n TYR 78 Ca 0.00 -0.66 -0.07 0.00 1.88 0.00 0.00 57.90 59.06 1d8j n TYR 78 Cb 0.10 0.70 -0.05 0.00 -0.38 0.00 0.00 39.34 39.71 1d8j n TYR 78 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1d8j s ASN 79 N -0.82 0.03 0.01 9.48 2.47 -1.26 -5.15 114.94 119.70 1d8j s ASN 79 Ca 0.02 -0.22 -0.07 0.00 0.42 0.00 0.00 52.86 53.01 1d8j s ASN 79 Cb 0.10 1.27 -0.00 0.00 -1.45 0.00 0.00 41.25 41.17 1d8j s ASN 79 CO -0.03 -0.34 0.13 0.54 -3.72 0.00 0.00 177.10 173.68 1d8j s VAL 80 N 2.59 0.09 0.00 -5.21 0.11 -1.26 -5.24 120.40 111.48 1d8j s VAL 80 Ca 0.10 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1d8j s VAL 80 Cb -0.12 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1d8j s VAL 80 CO -0.28 -0.41 0.00 -1.14 -3.33 0.00 0.00 175.10 169.94