#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 3.38 -3.03 0.00 7.94 -1.26 -1.10 117.00 122.93 1d8j n LEU 2 Ca 0.00 0.43 -0.22 0.00 -1.11 0.00 0.00 56.01 55.12 1d8j n LEU 2 Cb 0.00 -1.51 0.02 0.00 0.53 0.00 0.00 43.42 42.46 1d8j n LEU 2 CO 0.00 -0.44 -0.05 -1.20 -1.11 0.00 0.00 177.39 174.59 1d8j n SER 3 N 10.23 -5.10 -3.68 1.96 7.64 -1.26 -4.85 113.62 118.56 1d8j n SER 3 Ca 0.28 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 1d8j n SER 3 Cb 0.41 -4.17 -0.01 0.00 -1.01 0.00 0.00 64.21 59.43 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 -1.30 4.31 0.78 0.23 0.00 -0.26 -4.77 105.19 104.18 1d8j n GLY 4 Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1d8j n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1d8j n SER 5 N 5.91 -4.88 0.12 1.61 7.64 -1.26 -4.71 113.62 118.05 1d8j n SER 5 Ca 0.54 0.59 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1d8j n SER 5 Cb 0.37 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 1d8j n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1d8j n SER 6 N -0.55 -2.08 -1.94 6.43 2.88 -1.26 -4.94 113.62 112.15 1d8j n SER 6 Ca 0.00 0.47 -0.12 0.00 -1.33 0.00 0.00 58.87 57.88 1d8j n SER 6 Cb 0.00 2.16 -0.06 0.00 -0.75 0.00 0.00 64.21 65.55 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 -1.24 3.32 0.66 0.46 0.00 -1.26 -4.31 105.19 102.82 1d8j n GLY 7 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 1.53 0.44 0.17 1.61 0.18 -1.26 -3.37 117.16 116.47 1d8j n TYR 8 Ca 0.30 -0.22 0.00 0.00 1.88 0.00 0.00 57.90 59.86 1d8j n TYR 8 Cb 0.67 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.63 1d8j n TYR 8 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1d8j n LYS 9 N 0.54 0.00 -0.16 -3.48 5.02 -1.26 -4.82 118.16 113.99 1d8j n LYS 9 Ca 0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 1d8j n LYS 9 Cb 0.32 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 0.86 -0.27 2.13 0.04 -1.82 0.57 116.94 118.46 1d8j h PHE 10 Ca 0.00 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1d8j h PHE 10 Cb 0.00 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1d8j h PHE 10 CO 0.00 0.81 0.09 0.78 -0.60 0.00 0.00 178.31 179.40 1d8j h GLY 11 N 0.66 0.44 0.98 -1.45 0.00 -1.86 0.57 103.07 102.42 1d8j h GLY 11 Ca 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1d8j h GLY 11 CO 0.02 0.24 0.23 -2.08 0.00 0.00 0.00 176.54 174.94 1d8j h VAL 12 N 0.28 1.12 -0.42 4.60 2.07 -1.53 -0.95 116.25 121.41 1d8j h VAL 12 Ca 0.09 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1d8j h VAL 12 Cb 0.22 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1d8j h VAL 12 CO -0.00 0.12 0.27 0.25 0.02 0.00 0.00 177.57 178.23 1d8j h LEU 13 N 0.50 0.47 -0.99 2.57 5.85 -0.69 -1.38 115.31 121.63 1d8j h LEU 13 Ca 0.14 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1d8j h LEU 13 Cb 0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1d8j h LEU 13 CO -0.03 0.34 0.66 0.00 -0.34 0.00 0.00 178.44 179.07 1d8j h ALA 14 N 1.16 1.28 -0.62 1.25 0.00 -0.55 0.29 119.26 122.07 1d8j h ALA 14 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1d8j h ALA 14 Cb -0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 1d8j h ALA 14 CO -0.04 0.61 0.28 -0.22 0.00 0.00 0.00 179.25 179.87 1d8j h LYS 15 N 1.31 0.91 0.14 0.00 3.64 -0.59 0.44 116.57 122.41 1d8j h LYS 15 Ca 0.38 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1d8j h LYS 15 Cb -0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1d8j h LYS 15 CO -0.10 0.75 -0.07 0.82 -2.27 0.00 0.00 179.45 178.59 1d8j h ILE 16 N 0.86 0.97 -0.58 2.00 2.04 -0.52 0.06 117.51 122.34 1d8j h ILE 16 Ca 0.21 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1d8j h ILE 16 Cb 0.16 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 1d8j h ILE 16 CO -0.02 0.10 0.27 0.58 0.00 0.00 0.00 178.15 179.08 1d8j h VAL 17 N -0.38 0.89 -0.36 1.67 2.07 -0.82 0.12 116.25 119.44 1d8j h VAL 17 Ca -0.02 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1d8j h VAL 17 Cb 0.31 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1d8j h VAL 17 CO 0.03 0.09 0.11 -1.13 0.02 0.00 0.00 177.57 176.69 1d8j h ASN 18 N 0.51 0.53 0.71 0.57 -0.73 -0.80 -0.17 115.58 116.19 1d8j h ASN 18 Ca 0.27 -0.21 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 1d8j h ASN 18 Cb 0.23 -0.14 0.01 0.00 0.27 0.00 0.00 38.32 38.69 1d8j h ASN 18 CO -0.22 0.60 -0.34 0.22 -0.37 0.00 0.00 177.43 177.33 1d8j h TYR 19 N 0.43 -0.88 -1.00 0.67 3.20 -0.39 -0.31 116.97 118.70 1d8j h TYR 19 Ca 0.12 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.07 1d8j h TYR 19 Cb 0.26 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.75 1d8j h TYR 19 CO 0.01 -0.53 0.64 0.52 -1.64 0.00 0.00 178.16 177.15 1d8j h MET 20 N -1.01 1.01 0.02 1.82 2.86 -0.76 0.67 114.93 119.54 1d8j h MET 20 Ca -0.10 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1d8j h MET 20 Cb 0.74 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1d8j h MET 20 CO 0.16 0.67 -0.01 -0.22 1.06 0.00 0.00 176.91 178.57 1d8j h LYS 21 N 1.04 -0.03 -0.35 1.72 3.64 -0.83 0.12 116.57 121.88 1d8j h LYS 21 Ca 0.48 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1d8j h LYS 21 Cb 0.40 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1d8j h LYS 21 CO -0.24 0.03 0.22 1.15 -2.27 0.00 0.00 179.45 178.34 1d8j h THR 22 N -0.08 1.06 -0.55 1.00 2.02 0.05 0.10 112.91 116.50 1d8j h THR 22 Ca -0.00 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1d8j h THR 22 Cb 0.08 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1d8j h THR 22 CO 0.00 0.08 0.34 -0.09 0.37 0.00 0.00 175.52 176.23 1d8j h ARG 23 N 0.44 0.74 -0.56 6.66 2.43 -0.76 -1.75 114.38 121.59 1d8j h ARG 23 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1d8j h ARG 23 Cb -0.02 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1d8j h ARG 23 CO -0.05 0.52 0.32 1.25 -1.51 0.00 0.00 179.97 180.51 1d8j h HIS 24 N 0.74 0.73 0.00 2.20 2.76 -0.28 -0.50 115.15 120.80 1d8j h HIS 24 Ca 0.20 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1d8j h HIS 24 Cb -0.03 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.69 1d8j h HIS 24 CO -0.03 0.50 0.00 1.04 -1.30 0.00 0.00 177.93 178.14 1d8j n GLN 25 N -4.41 1.00 -0.95 5.26 1.13 0.31 -3.32 117.38 116.39 1d8j n GLN 25 Ca 0.05 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.16 1d8j n GLN 25 Cb 0.08 -1.14 0.14 0.00 0.11 0.00 0.00 30.24 29.43 1d8j n GLN 25 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1d8j n ARG 26 N -0.36 0.96 0.00 -1.09 1.74 -0.21 -4.98 116.66 112.73 1d8j n ARG 26 Ca 0.00 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 1d8j n ARG 26 Cb 0.07 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1d8j n GLY 27 N -0.48 2.27 3.41 -0.13 0.00 -1.21 -4.91 105.19 104.14 1d8j n GLY 27 Ca 0.14 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 1.09 3.79 -0.53 1.61 -0.08 -1.17 -4.61 116.55 116.65 1d8j n ASP 28 Ca 0.00 -2.80 0.12 0.00 -1.51 0.00 0.00 54.79 50.60 1d8j n ASP 28 Cb 0.00 -1.65 0.14 0.00 2.34 0.00 0.00 41.12 41.95 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 6.70 0.00 -1.65 5.18 -2.24 -1.26 -3.02 114.28 117.99 1d8j n THR 29 Ca 0.48 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.66 1d8j n THR 29 Cb 0.45 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.36 2.71 0.74 4.78 -3.43 -1.26 -4.69 115.29 111.79 1d8j s HIS 30 Ca 0.23 1.53 -0.14 0.00 -0.80 0.00 0.00 55.06 55.89 1d8j s HIS 30 Cb 0.19 -3.09 0.05 0.00 -1.43 0.00 0.00 32.58 28.30 1d8j s HIS 30 CO 0.49 -1.59 1.15 -1.25 -2.00 0.00 0.00 174.74 171.54 1d8j s PRO 31 N -4.39 2.18 0.00 -0.38 0.05 -1.26 -4.83 135.00 126.38 1d8j s PRO 31 Ca 0.64 1.53 0.01 0.00 0.05 0.00 0.00 61.00 63.23 1d8j s PRO 31 Cb -0.18 -1.86 -0.01 0.00 0.05 0.00 0.00 34.50 32.50 1d8j s PRO 31 CO 0.46 -1.75 -0.04 -0.51 0.05 0.00 0.00 177.00 175.21 1d8j s LEU 32 N -5.40 2.05 1.10 -3.56 1.43 0.09 -4.85 118.68 109.54 1d8j s LEU 32 Ca 0.69 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1d8j s LEU 32 Cb -0.24 -0.14 0.25 0.00 0.03 0.00 0.00 46.19 46.09 1d8j s LEU 32 CO 0.48 -0.02 1.05 0.42 0.23 0.00 0.00 176.35 178.51 1d8j s THR 33 N -0.32 2.07 0.10 5.49 -4.23 -1.26 -0.75 115.64 116.73 1d8j s THR 33 Ca -0.01 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.27 1d8j s THR 33 Cb -0.03 -2.20 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 1d8j s THR 33 CO -0.00 -0.03 1.70 0.25 -0.54 0.00 0.00 174.62 175.99 1d8j h LEU 34 N -2.36 -0.29 -0.37 4.79 6.46 -1.96 -2.27 115.31 119.30 1d8j h LEU 34 Ca -0.58 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.27 1d8j h LEU 34 Cb 1.33 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.31 1d8j h LEU 34 CO 0.52 -0.17 0.04 0.44 -0.62 0.00 0.00 178.44 178.66 1d8j h ASP 35 N -0.23 -0.06 -0.68 1.25 5.19 -2.00 0.24 116.42 120.14 1d8j h ASP 35 Ca 0.01 0.07 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1d8j h ASP 35 Cb 0.23 0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.81 1d8j h ASP 35 CO -0.05 0.01 0.45 -0.33 -3.12 0.00 0.00 179.24 176.20 1d8j h GLU 36 N 0.16 0.53 -0.06 3.56 5.08 -1.87 -1.78 114.58 120.20 1d8j h GLU 36 Ca 0.18 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1d8j h GLU 36 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1d8j h GLU 36 CO -0.26 0.35 -0.30 0.82 -1.00 0.00 0.00 179.01 178.62 1d8j h ILE 37 N 0.54 1.44 -0.41 3.13 2.04 -0.60 -3.34 117.51 120.32 1d8j h ILE 37 Ca 0.32 -1.73 0.06 0.00 1.00 0.00 0.00 64.86 64.50 1d8j h ILE 37 Cb 0.51 2.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.88 1d8j h ILE 37 CO -0.10 0.49 -0.51 -0.07 0.00 0.00 0.00 178.15 177.97 1d8j h LEU 38 N -0.21 -1.68 -0.47 1.44 3.38 -0.12 -1.83 115.31 115.81 1d8j h LEU 38 Ca -0.02 0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1d8j h LEU 38 Cb 0.96 0.71 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 1d8j h LEU 38 CO 0.06 -0.39 -0.43 -0.78 0.09 0.00 0.00 178.44 176.99 1d8j h ASP 39 N -0.37 -1.45 0.26 -0.43 3.58 -1.61 0.22 116.42 116.61 1d8j h ASP 39 Ca 0.10 0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.75 1d8j h ASP 39 Cb 0.60 0.64 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 1d8j h ASP 39 CO -0.59 -0.35 -0.12 -0.33 -2.88 0.00 0.00 179.24 174.97 1d8j h GLU 40 N -0.29 0.00 -0.63 0.28 5.08 -1.59 0.05 114.58 117.48 1d8j h GLU 40 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1d8j h GLU 40 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1d8j h GLU 40 CO -0.62 0.12 0.00 0.25 -1.00 0.00 0.00 179.01 177.76 1d8j n THR 41 N -3.87 2.14 0.00 1.13 -2.24 0.13 -5.00 114.28 106.57 1d8j n THR 41 Ca -0.02 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 1d8j n THR 41 Cb 0.22 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1d8j n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1d8j n GLN 42 N 0.91 0.00 0.00 -0.78 0.00 0.52 -4.89 117.38 113.14 1d8j n GLN 42 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 1d8j n GLN 42 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.23 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 0.00 0.00 0.00 3.69 8.25 -1.23 -3.90 115.22 122.03 1d8j n HIS 43 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1d8j n HIS 43 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1d8j n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1d8j n LEU 44 N 0.00 0.00 0.06 2.41 4.77 -1.26 -4.04 117.00 118.94 1d8j n LEU 44 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1d8j n LEU 44 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1d8j n LEU 44 CO 0.00 0.00 0.49 -0.78 -1.33 0.00 0.00 177.39 175.77 1d8j h ASP 45 N 0.00 -0.14 -2.94 -1.43 3.58 -1.98 -3.49 116.42 110.02 1d8j h ASP 45 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d8j h ASP 45 Cb 0.00 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1d8j h ASP 45 CO 0.00 -0.10 -0.38 0.00 -2.88 0.00 0.00 179.24 175.89 1d8j n ILE 46 N -2.45 -2.18 -1.97 2.25 3.06 -1.26 -4.83 119.36 111.99 1d8j n ILE 46 Ca -0.02 1.01 -0.41 0.00 -2.50 0.00 0.00 62.75 60.82 1d8j n ILE 46 Cb 0.06 -1.36 -0.02 0.00 0.54 0.00 0.00 39.64 38.86 1d8j n ILE 46 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1d8j s GLY 47 N -2.81 2.63 0.27 4.50 0.00 -1.26 -4.81 107.32 105.84 1d8j s GLY 47 Ca 0.00 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.12 1d8j s GLY 47 CO 0.00 2.20 1.77 -2.00 0.00 0.00 0.00 173.10 175.07 1d8j h LEU 48 N 4.08 0.61 -0.95 0.66 5.85 -1.99 0.12 115.31 123.69 1d8j h LEU 48 Ca -0.48 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1d8j h LEU 48 Cb 1.22 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1d8j h LEU 48 CO 0.71 0.25 0.62 0.11 -0.34 0.00 0.00 178.44 179.80 1d8j h LYS 49 N 0.68 1.25 0.55 1.25 1.57 -1.99 -0.05 116.57 119.83 1d8j h LYS 49 Ca 0.49 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1d8j h LYS 49 Cb 0.69 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1d8j h LYS 49 CO -0.36 0.83 -0.26 1.96 -0.57 0.00 0.00 179.45 181.05 1d8j h GLN 50 N 1.29 -0.71 -0.59 3.15 4.20 -1.19 0.06 115.11 121.33 1d8j h GLN 50 Ca 0.35 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.23 1d8j h GLN 50 Cb -0.14 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 27.70 1d8j h GLN 50 CO -0.07 -0.40 -0.01 -0.22 -0.67 0.00 0.00 178.83 177.45 1d8j h LYS 51 N -1.06 0.11 -0.20 1.46 3.64 -1.02 0.21 116.57 119.70 1d8j h LYS 51 Ca -0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1d8j h LYS 51 Cb 0.63 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1d8j h LYS 51 CO 0.12 0.07 0.06 0.37 -2.27 0.00 0.00 179.45 177.80 1d8j h GLN 52 N 0.11 0.31 -0.49 1.90 5.75 -1.02 -1.90 115.11 119.78 1d8j h GLN 52 Ca 0.30 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.77 1d8j h GLN 52 Cb 0.48 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 1d8j h GLN 52 CO -0.51 0.42 0.25 2.35 -2.65 0.00 0.00 178.83 178.69 1d8j h TRP 53 N 0.14 0.45 -0.07 3.99 7.01 -0.01 -1.67 115.95 125.80 1d8j h TRP 53 Ca 0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1d8j h TRP 53 Cb 0.25 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1d8j h TRP 53 CO 0.00 0.23 -0.12 -0.07 -2.79 0.00 0.00 178.44 175.69 1d8j h LEU 54 N 0.49 -0.35 0.25 0.65 3.38 -0.50 0.02 115.31 119.24 1d8j h LEU 54 Ca 0.21 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1d8j h LEU 54 Cb 0.12 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1d8j h LEU 54 CO -0.15 -0.16 -0.26 -0.03 0.09 0.00 0.00 178.44 177.94 1d8j h MET 55 N -0.17 -0.52 -1.51 1.13 4.05 -0.80 -1.41 114.93 115.70 1d8j h MET 55 Ca 0.06 0.04 -0.58 0.00 -0.28 0.00 0.00 59.70 58.94 1d8j h MET 55 Cb 0.26 0.12 -0.42 0.00 -0.80 0.00 0.00 31.60 30.76 1d8j h MET 55 CO -0.16 -0.35 -0.75 -2.37 0.23 0.00 0.00 176.91 173.50 1d8j n THR 56 N -5.38 2.31 0.05 -0.77 5.66 -0.68 -4.42 114.28 111.05 1d8j n THR 56 Ca -0.08 -4.85 0.00 0.00 -3.05 0.00 0.00 64.05 56.06 1d8j n THR 56 Cb 0.29 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 -0.45 0.00 0.02 1.09 0.00 -0.41 -4.91 120.64 115.98 1d8j n GLU 57 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.41 1d8j n GLU 57 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 32.02 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 -0.00 0.00 4.31 0.00 -1.07 -3.17 119.26 119.33 1d8j h ALA 58 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1d8j h ALA 58 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1d8j h ALA 58 CO 0.00 -0.39 -0.92 -0.07 0.00 0.00 0.00 179.25 177.86 1d8j h LEU 59 N -0.22 0.00 -9.78 0.00 3.38 -1.48 -3.39 115.31 103.82 1d8j h LEU 59 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1d8j h LEU 59 Cb 0.22 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1d8j h LEU 59 CO 0.00 0.92 0.50 -0.69 0.09 0.00 0.00 178.44 179.26 1d8j s VAL 60 N -2.81 3.47 0.00 1.22 1.01 -1.20 -3.03 120.40 119.06 1d8j s VAL 60 Ca 0.01 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1d8j s VAL 60 Cb 0.10 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1d8j s VAL 60 CO 0.81 0.32 0.00 -3.20 0.00 0.00 0.00 175.10 173.03 1d8j n ASN 61 N 1.40 0.00 -4.69 3.32 5.15 -1.26 -4.72 115.26 114.47 1d8j n ASN 61 Ca -0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.55 1d8j n ASN 61 Cb 0.45 -0.85 -0.03 0.00 -0.53 0.00 0.00 39.78 38.82 1d8j n ASN 61 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1d8j n ASN 62 N 0.00 4.03 0.07 1.20 2.85 -1.17 -4.85 115.26 117.40 1d8j n ASN 62 Ca 0.00 0.99 0.07 0.00 -0.11 0.00 0.00 54.58 55.52 1d8j n ASN 62 Cb 0.00 -1.54 0.32 0.00 1.24 0.00 0.00 39.78 39.80 1d8j n ASN 62 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1d8j n PRO 63 N 5.67 0.08 -0.13 1.20 -0.04 -1.26 -1.68 135.00 138.84 1d8j n PRO 63 Ca 0.18 0.49 0.05 0.00 -0.04 0.00 0.00 63.50 64.18 1d8j n PRO 63 Cb 0.37 -1.71 0.12 0.00 -0.04 0.00 0.00 33.50 32.25 1d8j n PRO 63 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1d8j n LYS 64 N -1.86 2.27 -4.13 0.54 5.02 -1.26 -4.75 118.16 113.98 1d8j n LYS 64 Ca 0.01 -1.81 -0.11 0.00 -2.02 0.00 0.00 58.31 54.38 1d8j n LYS 64 Cb 0.08 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.97 0.61 -0.07 -0.18 -1.09 -0.67 -0.79 121.20 118.03 1d8j s ILE 65 Ca 0.20 -1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 56.81 1d8j s ILE 65 Cb 0.11 -1.38 0.02 0.00 -1.58 0.00 0.00 42.46 39.63 1d8j s ILE 65 CO 0.15 -0.75 0.27 -0.70 -1.23 0.00 0.00 174.94 172.68 1d8j s GLU 66 N -3.24 0.45 -0.49 2.79 2.56 0.95 -4.54 118.70 117.18 1d8j s GLU 66 Ca 0.06 0.12 -0.19 0.00 0.00 0.00 0.00 54.97 54.95 1d8j s GLU 66 Cb 0.01 0.21 0.05 0.00 2.00 0.00 0.00 34.13 36.40 1d8j s GLU 66 CO -0.04 -0.09 0.61 0.08 -0.56 0.00 0.00 175.26 175.26 1d8j s VAL 67 N -0.48 4.88 -0.13 3.70 1.01 -1.26 -0.66 120.40 127.47 1d8j s VAL 67 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1d8j s VAL 67 Cb -0.04 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1d8j s VAL 67 CO 0.02 -0.74 -0.21 -0.63 0.00 0.00 0.00 175.10 173.54 1d8j s ILE 68 N 2.62 1.94 -2.12 2.22 -1.09 -0.17 -4.64 121.20 119.96 1d8j s ILE 68 Ca 0.16 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1d8j s ILE 68 Cb -0.18 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 1d8j s ILE 68 CO 0.13 0.53 0.00 -0.67 -1.23 0.00 0.00 174.94 173.70 1d8j n ASP 69 N 3.98 -5.30 0.00 3.58 2.03 -1.26 -1.03 116.55 118.55 1d8j n ASP 69 Ca -0.20 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1d8j n ASP 69 Cb 0.52 -4.68 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 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 -0.36 2.85 3.89 0.27 0.00 -1.26 -5.02 105.19 105.55 1d8j n GLY 70 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.05 2.09 -0.22 1.61 3.01 -0.20 -4.98 119.74 121.00 1d8j s LYS 71 Ca 0.00 0.20 -0.08 0.00 -1.01 0.00 0.00 55.97 55.08 1d8j s LYS 71 Cb 0.00 -1.96 -0.04 0.00 -1.01 0.00 0.00 37.83 34.83 1d8j s LYS 71 CO 0.00 -1.52 0.07 0.71 0.51 0.00 0.00 175.35 175.12 1d8j s TYR 72 N -3.52 3.17 -0.05 3.18 2.02 0.07 -1.00 117.35 121.21 1d8j s TYR 72 Ca 0.61 -0.14 0.06 0.00 -0.37 0.00 0.00 57.07 57.23 1d8j s TYR 72 Cb -0.11 -2.17 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1d8j s TYR 72 CO 0.50 -0.10 -0.22 0.00 -1.57 0.00 0.00 175.55 174.17 1d8j s ALA 73 N 1.02 2.32 0.08 3.71 0.00 0.17 -0.73 121.76 128.33 1d8j s ALA 73 Ca 0.04 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 1d8j s ALA 73 Cb -0.14 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 22.15 1d8j s ALA 73 CO 0.03 0.47 1.53 0.12 0.00 0.00 0.00 175.76 177.91 1d8j s PHE 74 N -0.40 2.79 -0.27 0.00 2.19 -1.26 -0.04 117.98 120.99 1d8j s PHE 74 Ca 0.04 0.62 -0.29 0.00 0.33 0.00 0.00 56.93 57.62 1d8j s PHE 74 Cb -0.12 -3.83 0.01 0.00 -1.31 0.00 0.00 43.02 37.77 1d8j s PHE 74 CO 0.02 -3.15 1.09 0.21 1.83 0.00 0.00 175.22 175.21 1d8j s LYS 75 N 2.04 4.14 0.05 10.12 2.20 0.03 -4.82 119.74 133.49 1d8j s LYS 75 Ca 0.69 1.23 -0.22 0.00 -0.36 0.00 0.00 55.97 57.31 1d8j s LYS 75 Cb -0.38 -3.71 -0.14 0.00 -1.51 0.00 0.00 37.83 32.10 1d8j s LYS 75 CO 0.30 -0.80 1.46 -1.00 -0.36 0.00 0.00 175.35 174.95 1d8j h PRO 76 N 7.93 0.23 0.00 4.03 0.13 -1.90 -3.43 132.00 138.99 1d8j h PRO 76 Ca -0.21 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1d8j h PRO 76 Cb 1.07 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1d8j h PRO 76 CO 1.01 0.50 0.00 0.36 -0.23 0.00 0.00 178.00 179.64 1d8j n LYS 77 N -4.76 0.00 0.02 0.86 2.85 -1.26 -5.07 118.16 110.80 1d8j n LYS 77 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1d8j n LYS 77 Cb 0.22 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.60 1d8j n LYS 77 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1d8j n TYR 78 N -2.70 -1.61 -3.52 5.58 4.11 -1.26 -5.04 117.16 112.72 1d8j n TYR 78 Ca 0.00 0.17 -0.22 0.00 -0.00 0.00 0.00 57.90 57.85 1d8j n TYR 78 Cb 0.00 0.64 0.03 0.00 -0.00 0.00 0.00 39.34 40.01 1d8j n TYR 78 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1d8j n ASN 79 N -2.44 -5.93 -4.33 9.48 4.13 -1.26 -5.01 115.26 109.89 1d8j n ASN 79 Ca 0.00 -0.78 -0.30 0.00 1.68 0.00 0.00 54.58 55.18 1d8j n ASN 79 Cb 0.00 -3.70 -0.15 0.00 -1.54 0.00 0.00 39.78 34.39 1d8j n ASN 79 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1d8j s VAL 80 N -3.28 2.09 -2.69 2.41 1.01 -1.26 -5.18 120.40 113.51 1d8j s VAL 80 Ca 0.30 -1.32 0.26 0.00 0.00 0.00 0.00 61.98 61.22 1d8j s VAL 80 Cb -0.10 -1.78 0.41 0.00 0.00 0.00 0.00 36.38 34.92 1d8j s VAL 80 CO 0.83 0.40 1.56 0.54 0.00 0.00 0.00 175.10 178.43