#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 0.00 -3.58 0.00 4.32 -1.26 -4.22 117.00 112.26 1d8j n LEU 2 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 1d8j n LEU 2 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1d8j n LEU 2 CO 0.00 0.00 2.93 -1.54 -1.22 0.00 0.00 177.39 177.56 1d8j n SER 3 N 1.74 5.76 -0.03 -1.43 3.41 -1.26 -4.92 113.62 116.90 1d8j n SER 3 Ca 0.00 -2.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1d8j n SER 3 Cb 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.34 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 3.83 -0.16 2.94 5.00 0.00 -1.26 -5.01 105.19 110.52 1d8j n GLY 4 Ca 0.62 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1d8j n SER 5 N -1.70 -7.61 -3.28 1.61 2.88 -1.26 -0.48 113.62 103.77 1d8j n SER 5 Ca 0.00 0.52 -0.37 0.00 -1.33 0.00 0.00 58.87 57.69 1d8j n SER 5 Cb 0.00 -4.82 -0.03 0.00 -0.75 0.00 0.00 64.21 58.61 1d8j n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1d8j n SER 6 N -0.17 8.32 -0.79 -3.46 3.41 -1.26 0.27 113.62 119.95 1d8j n SER 6 Ca 0.08 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1d8j n SER 6 Cb 0.45 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d8j n GLY 7 N 3.59 -2.78 3.77 5.00 0.00 -1.26 -3.43 105.19 110.08 1d8j n GLY 7 Ca 0.75 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1d8j n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d8j s TYR 8 N 0.00 2.56 0.00 1.61 5.04 -1.26 -0.28 117.35 125.02 1d8j s TYR 8 Ca 0.00 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.88 1d8j s TYR 8 Cb 0.00 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1d8j s TYR 8 CO 0.00 -2.84 0.00 1.63 -1.34 0.00 0.00 175.55 173.00 1d8j n LYS 9 N 0.10 0.00 -0.35 4.97 5.02 -1.26 -4.26 118.16 122.38 1d8j n LYS 9 Ca 0.03 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.38 1d8j n LYS 9 Cb 0.41 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.64 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 1.09 -0.40 2.13 0.04 -1.90 0.06 116.94 117.97 1d8j h PHE 10 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1d8j h PHE 10 Cb 0.00 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 1d8j h PHE 10 CO 0.00 0.45 0.16 0.78 -0.60 0.00 0.00 178.31 179.10 1d8j h GLY 11 N 0.97 0.64 0.99 -1.45 0.00 -0.66 0.57 103.07 104.13 1d8j h GLY 11 Ca 0.47 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1d8j h GLY 11 CO -0.25 0.33 0.29 -2.08 0.00 0.00 0.00 176.54 174.83 1d8j h VAL 12 N 0.50 1.14 -0.69 4.60 2.07 -1.44 -1.38 116.25 121.05 1d8j h VAL 12 Ca 0.13 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1d8j h VAL 12 Cb 0.19 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1d8j h VAL 12 CO -0.01 0.14 0.39 0.25 0.02 0.00 0.00 177.57 178.37 1d8j h LEU 13 N 0.63 0.84 -1.07 2.57 5.85 -0.77 -0.93 115.31 122.44 1d8j h LEU 13 Ca 0.17 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1d8j h LEU 13 Cb -0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1d8j h LEU 13 CO -0.03 0.68 0.53 0.00 -0.34 0.00 0.00 178.44 179.28 1d8j h ALA 14 N 1.20 1.31 -0.43 1.25 0.00 -0.39 0.14 119.26 122.34 1d8j h ALA 14 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1d8j h ALA 14 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1d8j h ALA 14 CO -0.04 0.60 -0.16 -0.22 0.00 0.00 0.00 179.25 179.43 1d8j h LYS 15 N 1.19 0.86 -0.36 0.00 3.64 -0.73 -0.42 116.57 120.75 1d8j h LYS 15 Ca 0.31 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1d8j h LYS 15 Cb -0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1d8j h LYS 15 CO -0.06 1.00 0.18 0.82 -2.27 0.00 0.00 179.45 179.12 1d8j h ILE 16 N 0.69 1.16 -0.01 2.00 2.04 -0.58 0.21 117.51 123.02 1d8j h ILE 16 Ca 0.10 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1d8j h ILE 16 Cb 0.71 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1d8j h ILE 16 CO 0.05 0.17 -0.01 0.58 0.00 0.00 0.00 178.15 178.94 1d8j h VAL 17 N 0.45 0.97 -0.68 1.67 2.07 -0.60 -0.33 116.25 119.81 1d8j h VAL 17 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1d8j h VAL 17 Cb 0.10 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1d8j h VAL 17 CO -0.02 0.00 0.42 -1.13 0.02 0.00 0.00 177.57 176.86 1d8j h ASN 18 N -0.02 0.69 0.87 0.57 -0.73 -0.89 0.66 115.58 116.73 1d8j h ASN 18 Ca 0.01 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 1d8j h ASN 18 Cb 0.03 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.48 1d8j h ASN 18 CO -0.02 0.48 -0.42 0.22 -0.37 0.00 0.00 177.43 177.32 1d8j h TYR 19 N 0.83 -1.09 -0.83 0.67 3.20 -0.60 0.61 116.97 119.76 1d8j h TYR 19 Ca 0.27 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.22 1d8j h TYR 19 Cb 0.01 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 1d8j h TYR 19 CO -0.04 -0.67 0.46 0.52 -1.64 0.00 0.00 178.16 176.78 1d8j h MET 20 N -1.17 0.72 0.05 1.82 2.86 -0.91 -0.04 114.93 118.26 1d8j h MET 20 Ca -0.12 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1d8j h MET 20 Cb 0.90 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1d8j h MET 20 CO 0.20 0.48 -0.02 -0.22 1.06 0.00 0.00 176.91 178.40 1d8j h LYS 21 N 0.75 -0.06 -0.08 1.72 3.11 -0.67 0.24 116.57 121.58 1d8j h LYS 21 Ca 0.42 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1d8j h LYS 21 Cb 0.44 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1d8j h LYS 21 CO -0.28 0.02 0.04 1.15 -2.81 0.00 0.00 179.45 177.57 1d8j h THR 22 N -0.13 1.09 -0.54 1.00 2.02 -0.15 0.22 112.91 116.42 1d8j h THR 22 Ca -0.01 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1d8j h THR 22 Cb 0.11 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1d8j h THR 22 CO 0.01 0.08 0.31 0.03 0.37 0.00 0.00 175.52 176.32 1d8j h ARG 23 N 0.03 0.59 -0.38 6.66 3.08 -0.98 -0.19 114.38 123.18 1d8j h ARG 23 Ca 0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1d8j h ARG 23 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1d8j h ARG 23 CO -0.00 0.39 0.13 1.25 -1.07 0.00 0.00 179.97 180.66 1d8j h HIS 24 N 0.61 0.53 0.00 3.04 2.76 -0.65 -0.10 115.15 121.35 1d8j h HIS 24 Ca 0.22 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1d8j h HIS 24 Cb 0.06 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1d8j h HIS 24 CO -0.07 0.44 0.00 0.37 -1.30 0.00 0.00 177.93 177.37 1d8j h GLN 25 N 0.53 0.00 0.00 5.26 4.15 0.11 -3.29 115.11 121.87 1d8j h GLN 25 Ca 0.13 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.33 1d8j h GLN 25 Cb 0.15 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1d8j h GLN 25 CO -0.01 0.00 -1.34 0.54 -1.93 0.00 0.00 178.83 176.09 1d8j n ARG 26 N -2.61 0.55 0.00 1.69 3.00 -0.25 -5.02 116.66 114.02 1d8j n ARG 26 Ca 0.02 0.50 0.00 0.00 -0.01 0.00 0.00 57.85 58.37 1d8j n ARG 26 Cb 0.33 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.10 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1d8j n GLY 27 N 1.43 0.23 3.46 -0.13 0.00 -0.21 -5.05 105.19 104.93 1d8j n GLY 27 Ca -0.31 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 3.94 0.04 1.61 2.03 -0.68 -4.62 116.55 118.88 1d8j n ASP 28 Ca 0.00 -2.81 0.11 0.00 0.52 0.00 0.00 54.79 52.61 1d8j n ASP 28 Cb 0.00 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 38.70 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1d8j n THR 29 N 6.78 0.27 -1.60 5.18 -2.24 -1.26 -2.66 114.28 118.74 1d8j n THR 29 Ca 0.48 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 1d8j n THR 29 Cb 0.45 0.02 0.07 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.30 2.33 0.75 4.78 -3.43 -1.26 -4.44 115.29 110.72 1d8j s HIS 30 Ca 0.01 1.58 -0.13 0.00 -0.80 0.00 0.00 55.06 55.71 1d8j s HIS 30 Cb 0.13 -3.32 0.05 0.00 -1.43 0.00 0.00 32.58 28.01 1d8j s HIS 30 CO 0.82 -2.15 1.14 -1.25 -2.00 0.00 0.00 174.74 171.30 1d8j s PRO 31 N -3.98 2.17 0.02 -0.38 0.04 -1.26 -4.80 135.00 126.81 1d8j s PRO 31 Ca 0.71 1.49 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1d8j s PRO 31 Cb -0.25 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1d8j s PRO 31 CO 0.43 -1.76 -0.05 -0.51 0.04 0.00 0.00 177.00 175.15 1d8j s LEU 32 N -5.47 2.19 1.16 -3.56 1.43 -0.07 -4.81 118.68 109.55 1d8j s LEU 32 Ca 0.68 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1d8j s LEU 32 Cb -0.23 -0.06 0.28 0.00 0.03 0.00 0.00 46.19 46.21 1d8j s LEU 32 CO 0.48 -0.19 1.03 0.42 0.23 0.00 0.00 176.35 178.33 1d8j s THR 33 N -1.11 1.92 0.08 5.49 -4.23 -1.26 -0.65 115.64 115.87 1d8j s THR 33 Ca -0.10 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.10 1d8j s THR 33 Cb -0.08 -2.18 -0.17 0.00 1.34 0.00 0.00 72.50 71.40 1d8j s THR 33 CO -0.00 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 175.97 1d8j h LEU 34 N -2.57 -0.71 -0.81 4.79 7.12 -1.96 -2.48 115.31 118.69 1d8j h LEU 34 Ca -0.59 0.03 0.07 0.00 0.13 0.00 0.00 57.88 57.52 1d8j h LEU 34 Cb 1.34 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 41.60 1d8j h LEU 34 CO 0.50 -0.48 0.49 0.44 -0.13 0.00 0.00 178.44 179.26 1d8j h ASP 35 N -0.78 0.76 -0.62 1.25 5.19 -2.00 -0.91 116.42 119.31 1d8j h ASP 35 Ca -0.07 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.42 1d8j h ASP 35 Cb 0.61 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 1d8j h ASP 35 CO 0.10 0.48 0.41 -0.33 -3.12 0.00 0.00 179.24 176.78 1d8j h GLU 36 N 0.89 0.60 -0.35 3.56 5.08 -1.88 -1.29 114.58 121.19 1d8j h GLU 36 Ca 0.36 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1d8j h GLU 36 Cb 0.20 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1d8j h GLU 36 CO -0.18 0.40 -0.35 0.82 -1.00 0.00 0.00 179.01 178.70 1d8j h ILE 37 N 0.62 1.28 -0.84 3.13 2.04 -0.72 -3.14 117.51 119.88 1d8j h ILE 37 Ca 0.27 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.66 1d8j h ILE 37 Cb 0.26 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1d8j h ILE 37 CO -0.08 0.50 0.52 -0.07 0.00 0.00 0.00 178.15 179.03 1d8j h LEU 38 N 0.65 0.84 0.03 1.44 3.38 -0.66 -2.42 115.31 118.57 1d8j h LEU 38 Ca 0.06 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1d8j h LEU 38 Cb 0.93 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1d8j h LEU 38 CO 0.09 0.55 -0.40 -0.78 0.09 0.00 0.00 178.44 177.98 1d8j h ASP 39 N 0.98 -1.24 -0.42 -0.43 3.58 -1.37 0.40 116.42 117.91 1d8j h ASP 39 Ca 0.36 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.97 1d8j h ASP 39 Cb 0.12 0.47 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 1d8j h ASP 39 CO -0.15 -0.40 0.23 -0.33 -2.88 0.00 0.00 179.24 175.70 1d8j h GLU 40 N -0.53 0.45 0.00 0.28 4.39 -1.61 -1.90 114.58 115.66 1d8j h GLU 40 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1d8j h GLU 40 Cb 0.55 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1d8j h GLU 40 CO -0.25 0.30 0.00 0.25 -1.16 0.00 0.00 179.01 178.14 1d8j n THR 41 N -4.88 0.29 -3.30 1.13 -2.24 -0.92 -4.90 114.28 99.45 1d8j n THR 41 Ca 0.02 0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1d8j n THR 41 Cb 0.08 -0.68 0.08 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.33 -5.07 -1.89 -0.78 -0.06 0.12 -4.95 117.38 103.42 1d8j n GLN 42 Ca 0.10 0.81 -0.06 0.00 -2.00 0.00 0.00 57.00 55.85 1d8j n GLN 42 Cb 0.21 -5.68 0.07 0.00 -4.06 0.00 0.00 30.24 20.78 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1d8j n HIS 43 N -3.73 1.31 -0.06 3.69 8.25 0.20 -4.83 115.22 120.04 1d8j n HIS 43 Ca -0.21 -1.76 -0.13 0.00 -0.26 0.00 0.00 57.72 55.35 1d8j n HIS 43 Cb 0.65 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 1d8j n HIS 43 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1d8j h LEU 44 N 1.87 0.42 -5.40 2.41 4.07 -1.92 -3.19 115.31 113.58 1d8j h LEU 44 Ca 0.05 -0.46 -0.70 0.00 0.08 0.00 0.00 57.88 56.85 1d8j h LEU 44 Cb 1.41 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 43.01 1d8j h LEU 44 CO 0.33 0.79 3.28 -0.67 -1.08 0.00 0.00 178.44 181.10 1d8j n ASP 45 N -4.54 7.63 -4.86 -0.43 2.03 -1.26 -4.92 116.55 110.21 1d8j n ASP 45 Ca -0.06 -2.79 -0.33 0.00 0.52 0.00 0.00 54.79 52.14 1d8j n ASP 45 Cb 0.36 -1.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.18 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1d8j s ILE 46 N 1.39 5.15 0.31 5.18 2.07 -1.21 -5.07 121.20 129.02 1d8j s ILE 46 Ca 0.61 -0.31 -0.30 0.00 -1.41 0.00 0.00 60.65 59.24 1d8j s ILE 46 Cb 0.17 -3.41 -0.11 0.00 0.13 0.00 0.00 42.46 39.24 1d8j s ILE 46 CO -0.07 0.29 1.56 -0.83 -1.91 0.00 0.00 174.94 173.99 1d8j s GLY 47 N -1.98 2.29 0.31 1.50 0.00 -1.26 -4.79 107.32 103.39 1d8j s GLY 47 Ca 0.27 1.55 0.06 0.00 0.00 0.00 0.00 44.72 46.61 1d8j s GLY 47 CO 0.19 2.47 1.80 -2.00 0.00 0.00 0.00 173.10 175.56 1d8j h LEU 48 N 4.51 0.77 -0.82 0.66 5.85 -1.98 0.57 115.31 124.87 1d8j h LEU 48 Ca -0.48 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 1d8j h LEU 48 Cb 1.22 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1d8j h LEU 48 CO 0.76 0.31 0.35 0.11 -0.34 0.00 0.00 178.44 179.63 1d8j h LYS 49 N 0.77 1.21 0.02 1.25 1.79 -1.99 0.10 116.57 119.73 1d8j h LYS 49 Ca 0.55 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1d8j h LYS 49 Cb 0.84 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1d8j h LYS 49 CO -0.33 0.96 -0.01 1.96 -1.08 0.00 0.00 179.45 180.95 1d8j h GLN 50 N 1.19 -0.03 -0.59 3.15 4.20 -1.33 0.00 115.11 121.69 1d8j h GLN 50 Ca 0.28 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.10 1d8j h GLN 50 Cb 0.19 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.88 1d8j h GLN 50 CO -0.03 0.46 0.10 -0.22 -0.67 0.00 0.00 178.83 178.48 1d8j h LYS 51 N -0.53 0.22 0.64 1.46 3.64 -0.93 0.63 116.57 121.69 1d8j h LYS 51 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1d8j h LYS 51 Cb 0.50 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1d8j h LYS 51 CO 0.00 0.14 -0.31 0.37 -2.27 0.00 0.00 179.45 177.39 1d8j h GLN 52 N 0.22 -0.83 -0.64 1.90 4.15 -0.76 -2.56 115.11 116.59 1d8j h GLN 52 Ca 0.31 0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.92 1d8j h GLN 52 Cb 0.47 0.19 -0.10 0.00 0.21 0.00 0.00 27.48 28.26 1d8j h GLN 52 CO -0.42 -0.54 0.11 2.35 -1.93 0.00 0.00 178.83 178.39 1d8j h TRP 53 N -0.90 0.16 -0.59 3.99 7.01 -0.36 0.27 115.95 125.53 1d8j h TRP 53 Ca -0.09 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.00 1d8j h TRP 53 Cb 0.67 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 1d8j h TRP 53 CO -0.02 -0.08 0.31 -0.07 -2.79 0.00 0.00 178.44 175.79 1d8j h LEU 54 N 0.22 0.46 -0.15 0.65 3.38 -0.80 0.35 115.31 119.42 1d8j h LEU 54 Ca 0.34 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.12 1d8j h LEU 54 Cb 0.55 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1d8j h LEU 54 CO -0.46 0.30 -0.98 -0.03 0.09 0.00 0.00 178.44 177.36 1d8j h MET 55 N 0.59 0.29 -0.02 1.13 4.05 -0.73 0.21 114.93 120.45 1d8j h MET 55 Ca 0.26 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1d8j h MET 55 Cb 0.16 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1d8j h MET 55 CO -0.17 1.07 -0.42 0.25 0.23 0.00 0.00 176.91 177.87 1d8j n THR 56 N -3.66 0.00 0.00 -0.77 -2.24 0.80 -4.62 114.28 103.79 1d8j n THR 56 Ca -0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1d8j n THR 56 Cb 0.87 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 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 0.04 0.00 0.03 -0.78 2.13 0.12 -4.88 120.64 117.31 1d8j n GLU 57 Ca 0.09 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.80 1d8j n GLU 57 Cb 0.45 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.09 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d8j h ALA 58 N 0.00 -0.79 0.00 4.31 0.00 -1.48 -1.85 119.26 119.44 1d8j h ALA 58 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d8j h ALA 58 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1d8j h ALA 58 CO 0.00 -0.90 0.00 1.28 0.00 0.00 0.00 179.25 179.63 1d8j n LEU 59 N -4.45 0.00 -0.19 0.00 4.77 0.06 -0.34 117.00 116.85 1d8j n LEU 59 Ca -0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1d8j n LEU 59 Cb 0.26 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1d8j n LEU 59 CO 0.08 0.00 0.46 1.33 -1.33 0.00 0.00 177.39 177.93 1d8j n VAL 60 N -0.80 0.63 -0.12 4.08 0.24 -0.73 -4.70 118.33 116.92 1d8j n VAL 60 Ca 0.09 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1d8j n VAL 60 Cb 0.04 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1d8j n VAL 60 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1d8j n ASN 61 N -0.02 0.00 -4.65 -1.34 0.23 -0.95 -5.01 115.26 103.52 1d8j n ASN 61 Ca 0.03 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.66 1d8j n ASN 61 Cb 0.23 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.90 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1d8j s ASN 62 N 0.00 6.38 0.59 0.53 3.84 0.54 -4.87 114.94 121.95 1d8j s ASN 62 Ca 0.00 2.26 0.30 0.00 0.21 0.00 0.00 52.86 55.63 1d8j s ASN 62 Cb 0.00 -2.53 1.80 0.00 -0.55 0.00 0.00 41.25 39.97 1d8j s ASN 62 CO 0.00 -1.17 2.23 1.55 -2.79 0.00 0.00 177.10 176.92 1d8j h PRO 63 N 10.86 0.00 0.00 0.43 0.13 -1.98 -0.59 132.00 140.85 1d8j h PRO 63 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1d8j h PRO 63 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1d8j h PRO 63 CO 0.96 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.36 1d8j n LYS 64 N -3.83 0.13 -4.65 0.86 4.76 -1.26 -4.64 118.16 109.52 1d8j n LYS 64 Ca -0.02 0.19 -0.31 0.00 -2.87 0.00 0.00 58.31 55.30 1d8j n LYS 64 Cb 0.13 -1.67 -0.12 0.00 -1.84 0.00 0.00 35.03 31.52 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 -3.09 2.92 -0.08 -0.18 1.09 -0.23 -0.08 121.20 121.55 1d8j s ILE 65 Ca 0.10 -1.10 0.03 0.00 -1.10 0.00 0.00 60.65 58.58 1d8j s ILE 65 Cb 0.13 -2.23 0.01 0.00 -1.06 0.00 0.00 42.46 39.31 1d8j s ILE 65 CO 0.49 0.36 -0.18 -0.70 -0.10 0.00 0.00 174.94 174.81 1d8j s GLU 66 N -1.39 2.36 -0.16 2.79 2.56 0.26 -4.60 118.70 120.53 1d8j s GLU 66 Ca 0.15 -0.65 -0.21 0.00 0.00 0.00 0.00 54.97 54.26 1d8j s GLU 66 Cb -0.11 -1.85 -0.03 0.00 2.00 0.00 0.00 34.13 34.15 1d8j s GLU 66 CO 0.05 0.11 0.62 0.08 -0.56 0.00 0.00 175.26 175.56 1d8j s VAL 67 N 0.49 5.05 0.00 3.70 1.01 -1.26 -0.88 120.40 128.51 1d8j s VAL 67 Ca -0.16 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1d8j s VAL 67 Cb -0.17 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1d8j s VAL 67 CO 0.06 0.17 0.00 -0.38 0.00 0.00 0.00 175.10 174.95 1d8j n ILE 68 N 4.36 0.00 -1.33 2.22 2.08 -1.03 -4.89 119.36 120.77 1d8j n ILE 68 Ca -0.02 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 1d8j n ILE 68 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.32 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 7.34 0.00 4.38 2.03 -1.26 -4.62 116.55 124.42 1d8j n ASP 69 Ca 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1d8j n ASP 69 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 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 2.71 1.81 3.84 0.27 0.00 -1.26 -4.96 105.19 107.59 1d8j n GLY 70 Ca 0.62 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 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 2.11 -0.19 1.61 3.01 -1.26 -4.97 119.74 120.05 1d8j s LYS 71 Ca 0.00 0.45 -0.04 0.00 -1.01 0.00 0.00 55.97 55.37 1d8j s LYS 71 Cb 0.00 -1.94 -0.02 0.00 -1.01 0.00 0.00 37.83 34.86 1d8j s LYS 71 CO 0.00 -1.56 -0.03 0.71 0.51 0.00 0.00 175.35 174.98 1d8j s TYR 72 N -3.29 3.00 0.45 3.18 2.02 0.17 -2.46 117.35 120.42 1d8j s TYR 72 Ca 0.61 -0.55 0.06 0.00 -0.37 0.00 0.00 57.07 56.83 1d8j s TYR 72 Cb -0.13 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 1d8j s TYR 72 CO 0.53 -0.26 0.23 0.00 -1.57 0.00 0.00 175.55 174.48 1d8j s ALA 73 N 0.92 3.86 -0.23 3.71 0.00 -0.06 -0.89 121.76 129.06 1d8j s ALA 73 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.05 1d8j s ALA 73 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1d8j s ALA 73 CO 0.01 -0.22 0.40 0.12 0.00 0.00 0.00 175.76 176.07 1d8j s PHE 74 N -2.65 3.31 -0.28 0.00 2.19 -1.26 -0.57 117.98 118.73 1d8j s PHE 74 Ca 0.37 0.53 -0.29 0.00 0.33 0.00 0.00 56.93 57.87 1d8j s PHE 74 Cb 0.02 -2.56 -0.01 0.00 -1.31 0.00 0.00 43.02 39.16 1d8j s PHE 74 CO 0.21 -0.12 1.40 0.21 1.83 0.00 0.00 175.22 178.75 1d8j s LYS 75 N 1.70 3.88 0.00 10.12 2.36 0.89 -4.74 119.74 133.95 1d8j s LYS 75 Ca 0.17 1.37 0.00 0.00 -2.55 0.00 0.00 55.97 54.96 1d8j s LYS 75 Cb -0.15 -3.93 0.00 0.00 -1.05 0.00 0.00 37.83 32.70 1d8j s LYS 75 CO 0.09 -1.18 0.13 -0.35 1.55 0.00 0.00 175.35 175.59 1d8j n PRO 76 N 7.43 0.00 -2.60 4.03 -0.04 -1.26 -4.76 135.00 137.79 1d8j n PRO 76 Ca 0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1d8j n PRO 76 Cb 0.46 -0.57 0.12 0.00 -0.04 0.00 0.00 33.50 33.48 1d8j n PRO 76 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1d8j n LYS 77 N -0.41 1.26 -2.71 0.54 4.81 -1.26 -5.02 118.16 115.36 1d8j n LYS 77 Ca 0.00 -1.19 -0.42 0.00 -0.87 0.00 0.00 58.31 55.83 1d8j n LYS 77 Cb 0.00 0.35 0.01 0.00 0.02 0.00 0.00 35.03 35.41 1d8j n LYS 77 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1d8j n TYR 78 N -1.35 2.49 -3.15 5.64 4.01 -1.26 -4.80 117.16 118.74 1d8j n TYR 78 Ca -0.15 -2.62 0.05 0.00 -0.16 0.00 0.00 57.90 55.01 1d8j n TYR 78 Cb 0.85 -1.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 1d8j n TYR 78 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1d8j s ASN 79 N -1.03 -0.94 -0.00 7.72 2.47 -1.26 -5.17 114.94 116.73 1d8j s ASN 79 Ca 0.36 0.35 0.04 0.00 0.42 0.00 0.00 52.86 54.03 1d8j s ASN 79 Cb 0.10 1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 41.58 1d8j s ASN 79 CO 0.02 -0.17 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.42 1d8j s VAL 80 N 2.90 0.89 0.00 -5.21 1.01 -1.26 -5.23 120.40 113.50 1d8j s VAL 80 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1d8j s VAL 80 Cb -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1d8j s VAL 80 CO -0.20 0.21 0.36 0.54 0.00 0.00 0.00 175.10 176.02