#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 -4.20 -2.95 0.00 0.00 -1.26 -4.98 117.00 103.61 1d8j n LEU 2 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 56.01 55.16 1d8j n LEU 2 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 43.42 40.73 1d8j n LEU 2 CO 0.00 0.01 -0.01 -1.20 0.00 0.00 0.00 177.39 176.19 1d8j n SER 3 N -2.56 -2.26 0.00 1.96 7.64 -1.26 -5.06 113.62 112.08 1d8j n SER 3 Ca -0.10 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1d8j n SER 3 Cb 0.59 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 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 2.47 4.24 2.67 0.23 0.00 -1.26 -3.47 105.19 110.07 1d8j n GLY 4 Ca 0.19 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 8.19 4.89 -1.28 1.61 3.41 -1.26 -4.69 113.62 124.50 1d8j n SER 5 Ca 0.00 -2.74 -0.05 0.00 -0.26 0.00 0.00 58.87 55.81 1d8j n SER 5 Cb 0.00 -1.56 0.06 0.00 -0.26 0.00 0.00 64.21 62.45 1d8j n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1d8j n SER 6 N 5.59 3.08 -3.44 4.04 2.88 -1.23 -4.66 113.62 119.88 1d8j n SER 6 Ca 0.58 -2.43 -0.40 0.00 -1.33 0.00 0.00 58.87 55.29 1d8j n SER 6 Cb 0.35 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.20 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d8j n GLY 7 N 0.06 4.57 0.61 0.46 0.00 -1.26 -4.20 105.19 105.43 1d8j n GLY 7 Ca 0.16 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.52 1d8j n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1d8j n TYR 8 N 3.36 0.00 0.00 1.61 4.11 -1.26 -4.80 117.16 120.18 1d8j n TYR 8 Ca 0.69 -0.62 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 1d8j n TYR 8 Cb 0.26 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.47 1d8j n TYR 8 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1d8j n LYS 9 N -0.47 0.00 -0.01 -3.48 2.85 -1.26 -4.90 118.16 110.89 1d8j n LYS 9 Ca 0.09 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.24 1d8j n LYS 9 Cb 0.78 -0.03 -0.05 0.00 -0.65 0.00 0.00 35.03 35.08 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1d8j h PHE 10 N 0.00 0.12 -0.04 5.58 0.04 -1.89 -0.23 116.94 120.51 1d8j h PHE 10 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1d8j h PHE 10 Cb 0.00 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1d8j h PHE 10 CO 0.00 0.07 -0.03 0.78 -0.60 0.00 0.00 178.31 178.53 1d8j h GLY 11 N 0.14 0.02 0.97 -1.45 0.00 -1.93 0.01 103.07 100.83 1d8j h GLY 11 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1d8j h GLY 11 CO -0.03 -0.03 0.02 -2.08 0.00 0.00 0.00 176.54 174.41 1d8j h VAL 12 N -0.03 0.99 -0.41 4.60 2.07 -1.87 0.02 116.25 121.61 1d8j h VAL 12 Ca 0.03 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1d8j h VAL 12 Cb 0.07 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1d8j h VAL 12 CO -0.06 0.01 0.23 0.25 0.02 0.00 0.00 177.57 178.01 1d8j h LEU 13 N 0.04 0.36 -0.75 2.57 5.85 -0.87 0.29 115.31 122.79 1d8j h LEU 13 Ca 0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1d8j h LEU 13 Cb 0.01 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1d8j h LEU 13 CO -0.02 0.26 0.38 0.00 -0.34 0.00 0.00 178.44 178.72 1d8j h ALA 14 N 1.20 0.97 -0.34 1.25 0.00 -0.76 -0.41 119.26 121.17 1d8j h ALA 14 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1d8j h ALA 14 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1d8j h ALA 14 CO -0.10 0.51 0.12 -0.22 0.00 0.00 0.00 179.25 179.56 1d8j h LYS 15 N 1.05 0.51 -0.23 0.00 3.64 -0.46 -1.60 116.57 119.48 1d8j h LYS 15 Ca 0.26 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1d8j h LYS 15 Cb 0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1d8j h LYS 15 CO -0.04 0.53 0.12 0.82 -2.27 0.00 0.00 179.45 178.61 1d8j h ILE 16 N 0.39 1.00 -0.76 2.00 2.04 -0.62 0.12 117.51 121.69 1d8j h ILE 16 Ca 0.11 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1d8j h ILE 16 Cb 0.22 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1d8j h ILE 16 CO -0.01 0.05 0.46 0.58 0.00 0.00 0.00 178.15 179.23 1d8j h VAL 17 N 0.25 1.04 -0.12 1.67 2.07 -0.89 0.09 116.25 120.35 1d8j h VAL 17 Ca 0.09 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1d8j h VAL 17 Cb 0.02 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1d8j h VAL 17 CO -0.06 0.16 -0.55 -1.13 0.02 0.00 0.00 177.57 176.00 1d8j h ASN 18 N 0.86 0.70 -0.09 0.57 -1.24 -0.87 -2.24 115.58 113.28 1d8j h ASN 18 Ca 0.33 -0.63 -0.00 0.00 0.71 0.00 0.00 56.30 56.70 1d8j h ASN 18 Cb 0.13 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1d8j h ASN 18 CO -0.16 1.22 0.04 0.22 -1.29 0.00 0.00 177.43 177.46 1d8j h TYR 19 N 0.23 0.12 -0.33 0.67 3.20 -0.55 -1.53 116.97 118.79 1d8j h TYR 19 Ca -0.03 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.88 1d8j h TYR 19 Cb 1.19 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 1d8j h TYR 19 CO 0.11 0.19 0.05 0.52 -1.64 0.00 0.00 178.16 177.39 1d8j h MET 20 N 0.02 0.16 0.22 1.82 2.86 -1.04 -1.24 114.93 117.74 1d8j h MET 20 Ca 0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1d8j h MET 20 Cb 0.11 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1d8j h MET 20 CO -0.00 0.11 -0.47 -0.22 1.06 0.00 0.00 176.91 177.38 1d8j h LYS 21 N 0.16 -0.73 -0.13 1.72 3.64 -1.15 0.11 116.57 120.19 1d8j h LYS 21 Ca 0.15 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1d8j h LYS 21 Cb 0.18 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1d8j h LYS 21 CO -0.21 -0.49 -0.13 1.15 -2.27 0.00 0.00 179.45 177.50 1d8j h THR 22 N -0.76 0.63 -0.76 1.00 2.02 -1.08 0.38 112.91 114.34 1d8j h THR 22 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1d8j h THR 22 Cb 0.72 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1d8j h THR 22 CO -0.19 0.00 0.37 0.03 0.37 0.00 0.00 175.52 176.10 1d8j h ARG 23 N -0.16 1.09 -0.51 6.66 3.08 -1.12 -0.53 114.38 122.88 1d8j h ARG 23 Ca 0.09 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1d8j h ARG 23 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1d8j h ARG 23 CO -0.23 0.83 0.07 1.25 -1.07 0.00 0.00 179.97 180.82 1d8j h HIS 24 N 1.08 0.85 -0.16 3.04 2.76 -0.22 -1.36 115.15 121.13 1d8j h HIS 24 Ca 0.26 -0.10 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 1d8j h HIS 24 Cb 0.10 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.76 1d8j h HIS 24 CO 0.01 0.75 -0.00 0.94 -1.30 0.00 0.00 177.93 178.33 1d8j n GLN 25 N -4.25 1.50 0.03 5.26 7.27 0.13 -3.72 117.38 123.61 1d8j n GLN 25 Ca 0.03 -0.70 0.00 0.00 0.07 0.00 0.00 57.00 56.40 1d8j n GLN 25 Cb 0.26 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.46 1d8j n GLN 25 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1d8j n ARG 26 N 1.52 0.00 0.00 3.69 0.63 -0.94 -4.92 116.66 116.64 1d8j n ARG 26 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1d8j n ARG 26 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1d8j n GLY 27 N -1.29 0.01 2.31 5.14 0.00 -0.60 -5.02 105.19 105.75 1d8j n GLY 27 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.44 8.62 -0.21 1.61 9.92 -0.67 -4.41 116.55 130.96 1d8j n ASP 28 Ca 0.00 -2.61 0.14 0.00 -0.53 0.00 0.00 54.79 51.79 1d8j n ASP 28 Cb 0.00 -1.54 0.56 0.00 -0.64 0.00 0.00 41.12 39.50 1d8j n ASP 28 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1d8j n THR 29 N 3.40 0.00 -1.67 -3.53 5.66 -1.26 -3.48 114.28 113.40 1d8j n THR 29 Ca 0.77 -0.11 -0.34 0.00 -3.05 0.00 0.00 64.05 61.32 1d8j n THR 29 Cb 0.25 0.10 0.06 0.00 -1.55 0.00 0.00 70.33 69.20 1d8j n THR 29 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1d8j s HIS 30 N -2.35 2.42 -0.02 1.09 -3.43 -1.26 -4.68 115.29 107.06 1d8j s HIS 30 Ca 0.31 1.57 -0.30 0.00 -0.80 0.00 0.00 55.06 55.84 1d8j s HIS 30 Cb 0.20 -3.28 -0.07 0.00 -1.43 0.00 0.00 32.58 28.00 1d8j s HIS 30 CO 0.45 -2.01 1.73 -1.25 -2.00 0.00 0.00 174.74 171.67 1d8j s PRO 31 N -3.98 4.17 0.05 -0.38 0.05 -1.26 -4.82 135.00 128.84 1d8j s PRO 31 Ca 0.70 2.31 0.00 0.00 0.05 0.00 0.00 61.00 64.06 1d8j s PRO 31 Cb -0.24 -3.98 -0.04 0.00 0.05 0.00 0.00 34.50 30.29 1d8j s PRO 31 CO 0.42 -0.86 0.19 -0.51 0.05 0.00 0.00 177.00 176.29 1d8j s LEU 32 N 3.96 4.28 0.90 -3.56 1.43 0.11 -4.77 118.68 121.03 1d8j s LEU 32 Ca 0.77 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.99 1d8j s LEU 32 Cb -0.36 -2.85 0.13 0.00 0.03 0.00 0.00 46.19 43.14 1d8j s LEU 32 CO 0.33 0.18 1.16 0.42 0.23 0.00 0.00 176.35 178.67 1d8j s THR 33 N -1.47 1.99 0.09 5.49 -4.23 -1.26 -0.58 115.64 115.67 1d8j s THR 33 Ca 0.33 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.57 1d8j s THR 33 Cb -0.13 -2.83 -0.14 0.00 1.34 0.00 0.00 72.50 70.75 1d8j s THR 33 CO 0.26 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.26 1d8j h LEU 34 N -1.42 -0.46 -0.68 4.79 7.12 -1.95 -2.08 115.31 120.62 1d8j h LEU 34 Ca -0.49 0.04 0.04 0.00 0.13 0.00 0.00 57.88 57.60 1d8j h LEU 34 Cb 1.32 0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 41.55 1d8j h LEU 34 CO 0.60 -0.28 0.42 0.44 -0.13 0.00 0.00 178.44 179.49 1d8j h ASP 35 N -0.42 0.67 -0.86 1.25 3.32 -1.99 -0.93 116.42 117.45 1d8j h ASP 35 Ca -0.02 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1d8j h ASP 35 Cb 0.37 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 1d8j h ASP 35 CO -0.00 0.45 0.53 -0.33 -1.72 0.00 0.00 179.24 178.17 1d8j h GLU 36 N 0.80 0.91 -0.02 3.56 5.08 -1.88 -0.77 114.58 122.25 1d8j h GLU 36 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1d8j h GLU 36 Cb 0.07 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1d8j h GLU 36 CO -0.13 0.60 0.01 0.82 -1.00 0.00 0.00 179.01 179.31 1d8j h ILE 37 N 0.94 1.16 0.09 3.13 2.04 -0.60 -3.04 117.51 121.23 1d8j h ILE 37 Ca 0.39 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1d8j h ILE 37 Cb 0.22 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1d8j h ILE 37 CO -0.19 0.13 -0.33 -0.07 0.00 0.00 0.00 178.15 177.68 1d8j h LEU 38 N -0.16 -0.97 -0.44 1.44 3.38 -0.54 -1.96 115.31 116.06 1d8j h LEU 38 Ca 0.01 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1d8j h LEU 38 Cb 0.20 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1d8j h LEU 38 CO -0.00 -0.41 -0.53 -0.78 0.09 0.00 0.00 178.44 176.81 1d8j h ASP 39 N -0.54 -1.77 -0.86 -0.43 3.58 -1.17 0.20 116.42 115.43 1d8j h ASP 39 Ca 0.04 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1d8j h ASP 39 Cb 0.58 0.74 -0.04 0.00 1.72 0.00 0.00 39.33 42.33 1d8j h ASP 39 CO -0.21 -0.39 0.55 -0.33 -2.88 0.00 0.00 179.24 175.97 1d8j h GLU 40 N -0.36 1.15 -0.00 0.28 5.08 -1.41 -0.95 114.58 118.37 1d8j h GLU 40 Ca 0.10 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1d8j h GLU 40 Cb 0.59 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1d8j h GLU 40 CO -0.61 0.78 -0.01 0.25 -1.00 0.00 0.00 179.01 178.42 1d8j n THR 41 N -4.39 0.00 -3.17 1.13 -2.24 -0.58 -4.91 114.28 100.13 1d8j n THR 41 Ca 0.10 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 1d8j n THR 41 Cb 0.04 -0.36 0.06 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.92 -5.30 -0.86 -0.78 6.02 0.45 -4.94 117.38 111.04 1d8j n GLN 42 Ca 0.21 0.61 0.05 0.00 -0.01 0.00 0.00 57.00 57.86 1d8j n GLN 42 Cb 0.17 -4.94 0.13 0.00 1.02 0.00 0.00 30.24 26.62 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1d8j n HIS 43 N -3.80 0.00 -0.09 1.08 8.25 0.33 -4.82 115.22 116.16 1d8j n HIS 43 Ca -0.10 -1.06 -0.12 0.00 -0.26 0.00 0.00 57.72 56.18 1d8j n HIS 43 Cb 0.58 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 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 0.88 0.59 -4.70 2.41 6.46 -1.87 -3.12 115.31 115.96 1d8j h LEU 44 Ca -0.08 -0.40 -0.50 0.00 -0.12 0.00 0.00 57.88 56.78 1d8j h LEU 44 Cb 1.32 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.05 1d8j h LEU 44 CO 0.03 0.86 2.01 0.47 -0.62 0.00 0.00 178.44 181.19 1d8j n ASP 45 N -4.45 7.34 -4.91 1.25 9.92 -1.26 -4.91 116.55 119.53 1d8j n ASP 45 Ca -0.04 -2.65 -0.32 0.00 -0.53 0.00 0.00 54.79 51.25 1d8j n ASP 45 Cb 0.36 -1.47 -0.04 0.00 -0.64 0.00 0.00 41.12 39.33 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1d8j s ILE 46 N 1.08 5.41 0.38 0.53 2.07 -1.18 -5.08 121.20 124.41 1d8j s ILE 46 Ca 0.66 -0.27 -0.27 0.00 -1.41 0.00 0.00 60.65 59.37 1d8j s ILE 46 Cb 0.24 -3.59 -0.09 0.00 0.13 0.00 0.00 42.46 39.15 1d8j s ILE 46 CO -0.06 0.23 1.29 -0.83 -1.91 0.00 0.00 174.94 173.66 1d8j s GLY 47 N -2.24 2.94 0.60 1.50 0.00 -1.26 -4.81 107.32 104.05 1d8j s GLY 47 Ca 0.31 1.21 0.30 0.00 0.00 0.00 0.00 44.72 46.55 1d8j s GLY 47 CO 0.24 1.81 2.13 0.17 0.00 0.00 0.00 173.10 177.45 1d8j h LEU 48 N 2.89 0.00 0.08 0.66 -0.00 -1.98 -0.18 115.31 116.78 1d8j h LEU 48 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1d8j h LEU 48 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1d8j h LEU 48 CO 0.63 0.00 -0.04 0.11 -0.00 0.00 0.00 178.44 179.15 1d8j h LYS 49 N 0.00 -0.10 -0.26 0.17 1.57 -1.99 0.11 116.57 116.08 1d8j h LYS 49 Ca 0.06 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1d8j h LYS 49 Cb 0.39 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1d8j h LYS 49 CO -0.00 0.16 -0.22 1.96 -0.57 0.00 0.00 179.45 180.77 1d8j h GLN 50 N -0.34 0.61 -0.28 3.15 7.50 -1.69 -1.25 115.11 122.81 1d8j h GLN 50 Ca -0.01 -0.31 0.06 0.00 0.50 0.00 0.00 58.65 58.89 1d8j h GLN 50 Cb 0.30 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.77 1d8j h GLN 50 CO 0.02 0.90 -0.10 -0.22 -1.50 0.00 0.00 178.83 177.92 1d8j h LYS 51 N 0.32 -0.05 -0.16 1.46 3.64 -1.03 0.91 116.57 121.66 1d8j h LYS 51 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1d8j h LYS 51 Cb 0.78 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1d8j h LYS 51 CO 0.06 -0.03 0.08 0.37 -2.27 0.00 0.00 179.45 177.65 1d8j h GLN 52 N -0.05 0.23 -0.22 1.90 5.75 -0.74 -1.65 115.11 120.33 1d8j h GLN 52 Ca 0.14 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 1d8j h GLN 52 Cb 0.27 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 1d8j h GLN 52 CO -0.31 0.28 -0.11 2.35 -2.65 0.00 0.00 178.83 178.38 1d8j h TRP 53 N 0.13 -0.27 -0.29 3.99 7.01 -0.74 0.22 115.95 126.01 1d8j h TRP 53 Ca 0.05 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.13 1d8j h TRP 53 Cb 0.12 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 1d8j h TRP 53 CO -0.03 -0.17 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.37 1d8j h LEU 54 N -0.09 -0.15 -0.15 0.65 3.38 -0.68 0.20 115.31 118.48 1d8j h LEU 54 Ca 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1d8j h LEU 54 Cb 0.26 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1d8j h LEU 54 CO -0.27 -0.04 0.05 -0.03 0.09 0.00 0.00 178.44 178.24 1d8j h MET 55 N 0.07 0.23 -1.41 1.13 4.05 -0.62 -1.51 114.93 116.87 1d8j h MET 55 Ca 0.14 -0.05 -0.53 0.00 -0.28 0.00 0.00 59.70 58.98 1d8j h MET 55 Cb 0.19 -0.03 -0.42 0.00 -0.80 0.00 0.00 31.60 30.54 1d8j h MET 55 CO -0.25 0.34 -0.84 -2.37 0.23 0.00 0.00 176.91 174.01 1d8j n THR 56 N -4.86 2.03 0.07 -0.77 5.66 0.00 -4.44 114.28 111.99 1d8j n THR 56 Ca -0.05 -4.49 0.00 0.00 -3.05 0.00 0.00 64.05 56.46 1d8j n THR 56 Cb 0.13 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1d8j n GLU 57 N -0.37 0.00 0.11 1.09 4.07 -0.38 -4.90 120.64 120.26 1d8j n GLU 57 Ca 0.32 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.37 1d8j n GLU 57 Cb 0.69 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.05 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d8j h ALA 58 N 0.00 -0.80 -0.16 4.31 0.00 -1.09 -2.93 119.26 118.59 1d8j h ALA 58 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d8j h ALA 58 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1d8j h ALA 58 CO 0.00 -0.78 0.10 -0.07 0.00 0.00 0.00 179.25 178.50 1d8j h LEU 59 N -0.38 0.19 -1.13 0.00 3.38 -1.50 0.13 115.31 116.01 1d8j h LEU 59 Ca -0.03 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1d8j h LEU 59 Cb 0.23 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1d8j h LEU 59 CO 0.05 0.18 0.61 -0.37 0.09 0.00 0.00 178.44 179.00 1d8j h VAL 60 N 0.18 0.84 0.00 1.22 -1.51 -1.75 -1.73 116.25 113.51 1d8j h VAL 60 Ca 0.06 -0.28 -0.14 0.00 -1.23 0.00 0.00 66.70 65.10 1d8j h VAL 60 Cb 0.03 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.11 1d8j h VAL 60 CO -0.01 0.15 -1.28 0.78 -1.23 0.00 0.00 177.57 175.98 1d8j h ASN 61 N 0.82 0.00 -2.34 4.19 2.35 -1.30 -3.46 115.58 115.84 1d8j h ASN 61 Ca 0.49 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.70 1d8j h ASN 61 Cb 0.67 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1d8j h ASN 61 CO -0.26 0.51 1.27 0.21 -1.65 0.00 0.00 177.43 177.51 1d8j s ASN 62 N -5.80 6.25 0.32 5.81 3.84 0.44 -4.88 114.94 120.92 1d8j s ASN 62 Ca -0.02 2.40 0.02 0.00 0.21 0.00 0.00 52.86 55.47 1d8j s ASN 62 Cb 0.09 -2.53 0.53 0.00 -0.55 0.00 0.00 41.25 38.79 1d8j s ASN 62 CO 0.80 -1.25 1.86 1.55 -2.79 0.00 0.00 177.10 177.27 1d8j h PRO 63 N 11.45 0.64 0.00 0.43 0.13 -1.89 -2.55 132.00 140.21 1d8j h PRO 63 Ca -0.46 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 64.47 1d8j h PRO 63 Cb 1.23 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1d8j h PRO 63 CO 0.95 0.62 -0.32 0.87 -0.23 0.00 0.00 178.00 179.89 1d8j h LYS 64 N 0.61 0.00 -4.03 0.86 1.57 -1.91 -3.38 116.57 110.30 1d8j h LYS 64 Ca 0.13 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.23 1d8j h LYS 64 Cb 0.31 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.26 1d8j h LYS 64 CO 0.01 0.32 -0.50 0.42 -0.57 0.00 0.00 179.45 179.13 1d8j s ILE 65 N -3.83 3.31 0.35 1.86 -1.09 -0.96 -0.55 121.20 120.29 1d8j s ILE 65 Ca -0.01 -2.57 -0.03 0.00 -2.23 0.00 0.00 60.65 55.81 1d8j s ILE 65 Cb 0.12 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1d8j s ILE 65 CO 0.67 -0.77 0.60 -1.83 -1.23 0.00 0.00 174.94 172.39 1d8j s GLU 66 N 0.50 3.56 -0.09 2.79 -1.05 -0.17 -4.54 118.70 119.69 1d8j s GLU 66 Ca 0.13 -0.08 -0.12 0.00 -0.15 0.00 0.00 54.97 54.74 1d8j s GLU 66 Cb -0.22 -2.59 -0.05 0.00 -0.44 0.00 0.00 34.13 30.83 1d8j s GLU 66 CO -0.04 0.10 0.29 0.08 0.95 0.00 0.00 175.26 176.64 1d8j s VAL 67 N -2.32 5.26 0.00 1.83 1.01 -1.26 -0.73 120.40 124.19 1d8j s VAL 67 Ca 0.43 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1d8j s VAL 67 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1d8j s VAL 67 CO 0.36 0.52 0.00 -0.38 0.00 0.00 0.00 175.10 175.60 1d8j n ILE 68 N 2.48 0.00 -1.62 2.22 2.08 -0.42 -4.93 119.36 119.17 1d8j n ILE 68 Ca -0.15 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.76 1d8j n ILE 68 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.40 1d8j n ILE 68 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1d8j n ASP 69 N 0.00 7.50 0.00 4.38 2.03 -1.26 -4.42 116.55 124.78 1d8j n ASP 69 Ca 0.00 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1d8j n ASP 69 Cb 0.00 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.88 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 3.16 0.63 3.81 0.27 0.00 -1.26 -4.98 105.19 106.82 1d8j n GLY 70 Ca 0.67 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 1d8j n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d8j n LYS 71 N -1.96 0.71 -4.79 1.61 5.02 -1.26 -4.92 118.16 112.57 1d8j n LYS 71 Ca 0.00 -3.78 -0.33 0.00 -2.02 0.00 0.00 58.31 52.18 1d8j n LYS 71 Cb 0.03 0.88 -0.15 0.00 -0.02 0.00 0.00 35.03 35.78 1d8j n LYS 71 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1d8j s TYR 72 N -2.89 2.79 0.06 2.13 1.51 0.26 -1.30 117.35 119.91 1d8j s TYR 72 Ca 0.07 -0.70 0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1d8j s TYR 72 Cb -0.01 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1d8j s TYR 72 CO 0.05 -0.25 -0.22 0.00 -1.11 0.00 0.00 175.55 174.01 1d8j s ALA 73 N 0.39 1.90 -0.16 3.71 0.00 0.09 -0.71 121.76 126.98 1d8j s ALA 73 Ca -0.11 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 50.46 1d8j s ALA 73 Cb -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1d8j s ALA 73 CO 0.06 0.43 0.68 0.12 0.00 0.00 0.00 175.76 177.04 1d8j s PHE 74 N -0.89 3.44 -0.20 0.00 2.19 -1.26 -1.00 117.98 120.26 1d8j s PHE 74 Ca 0.09 1.07 -0.28 0.00 0.33 0.00 0.00 56.93 58.13 1d8j s PHE 74 Cb -0.09 -2.84 0.00 0.00 -1.31 0.00 0.00 43.02 38.78 1d8j s PHE 74 CO 0.03 -0.12 0.98 0.21 1.83 0.00 0.00 175.22 178.15 1d8j s LYS 75 N 1.66 4.28 0.23 10.12 2.20 0.29 -4.94 119.74 133.58 1d8j s LYS 75 Ca 0.33 1.26 -0.06 0.00 -0.36 0.00 0.00 55.97 57.13 1d8j s LYS 75 Cb -0.16 -3.62 0.23 0.00 -1.51 0.00 0.00 37.83 32.77 1d8j s LYS 75 CO 0.12 -0.53 1.82 -1.00 -0.36 0.00 0.00 175.35 175.41 1d8j h PRO 76 N 7.42 1.16 -2.09 4.03 0.13 -1.96 -3.47 132.00 137.21 1d8j h PRO 76 Ca -0.23 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1d8j h PRO 76 Cb 1.09 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1d8j h PRO 76 CO 0.93 0.91 -0.46 1.17 -0.23 0.00 0.00 178.00 180.32 1d8j n LYS 77 N -4.30 -2.56 -1.66 0.86 0.00 -1.26 -4.77 118.16 104.48 1d8j n LYS 77 Ca 0.08 1.88 -0.41 0.00 0.00 0.00 0.00 58.31 59.86 1d8j n LYS 77 Cb 0.16 -2.02 -0.03 0.00 0.00 0.00 0.00 35.03 33.14 1d8j n LYS 77 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1d8j s TYR 78 N -1.27 1.24 0.02 5.64 1.13 -1.26 -4.93 117.35 117.92 1d8j s TYR 78 Ca 0.00 0.83 -0.07 0.00 -1.41 0.00 0.00 57.07 56.42 1d8j s TYR 78 Cb 0.00 -3.87 -0.00 0.00 -1.10 0.00 0.00 41.96 36.99 1d8j s TYR 78 CO 0.00 -3.47 0.12 1.21 -2.51 0.00 0.00 175.55 170.90 1d8j s ASN 79 N 9.03 0.09 0.47 -0.18 2.47 -1.26 -5.15 114.94 120.41 1d8j s ASN 79 Ca 0.96 -0.36 -0.22 0.00 0.42 0.00 0.00 52.86 53.66 1d8j s ASN 79 Cb -0.27 0.22 -0.07 0.00 -1.45 0.00 0.00 41.25 39.68 1d8j s ASN 79 CO 0.32 -0.44 1.12 0.54 -3.72 0.00 0.00 177.10 174.92 1d8j s VAL 80 N -1.99 3.32 0.00 -5.21 0.11 -1.26 -5.25 120.40 110.12 1d8j s VAL 80 Ca -0.10 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 1d8j s VAL 80 Cb -0.04 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1d8j s VAL 80 CO -0.01 -0.07 0.00 -1.14 -3.33 0.00 0.00 175.10 170.55