#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j h LEU 2 N 0.00 0.48 -5.40 0.00 5.85 -2.02 -2.88 115.31 111.34 1d8j h LEU 2 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 1d8j h LEU 2 Cb 0.00 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 40.94 1d8j h LEU 2 CO 0.00 0.31 3.29 -1.20 -0.34 0.00 0.00 178.44 180.50 1d8j n SER 3 N -4.47 6.46 -3.87 1.25 7.64 -1.26 -4.67 113.62 114.69 1d8j n SER 3 Ca 0.08 -2.56 -0.33 0.00 1.01 0.00 0.00 58.87 57.07 1d8j n SER 3 Cb 0.23 -1.42 0.01 0.00 -1.01 0.00 0.00 64.21 62.02 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 3.79 -0.86 3.63 0.23 0.00 -1.21 -4.95 105.19 105.82 1d8j n GLY 4 Ca 0.63 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.90 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d8j s SER 5 N -3.41 -0.65 -1.48 1.61 1.04 -1.09 -4.91 113.70 104.81 1d8j s SER 5 Ca 0.26 1.23 -0.10 0.00 0.48 0.00 0.00 55.95 57.83 1d8j s SER 5 Cb -0.15 1.25 -0.08 0.00 0.10 0.00 0.00 66.02 67.15 1d8j s SER 5 CO 0.80 -0.21 2.76 -1.20 0.98 0.00 0.00 173.24 176.37 1d8j n SER 6 N 2.70 7.74 -0.42 7.02 7.64 -1.26 -0.58 113.62 136.44 1d8j n SER 6 Ca -0.14 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1d8j n SER 6 Cb 0.56 -1.47 -0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8j n GLY 7 N 3.65 -3.14 3.72 0.23 0.00 -1.26 -2.54 105.19 105.86 1d8j n GLY 7 Ca 0.71 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1d8j n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1d8j s TYR 8 N -4.38 2.25 0.00 1.61 1.13 -1.26 -0.30 117.35 116.39 1d8j s TYR 8 Ca 0.00 1.54 0.00 0.00 -1.41 0.00 0.00 57.07 57.20 1d8j s TYR 8 Cb 0.00 -3.14 0.00 0.00 -1.10 0.00 0.00 41.96 37.72 1d8j s TYR 8 CO 0.00 -2.24 0.00 1.17 -2.51 0.00 0.00 175.55 171.97 1d8j n LYS 9 N -3.82 0.00 -0.02 -3.49 4.81 -1.26 -4.12 118.16 110.25 1d8j n LYS 9 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1d8j n LYS 9 Cb 0.53 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.50 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1d8j h PHE 10 N 0.00 0.15 -0.65 5.64 0.04 -1.81 -1.42 116.94 118.88 1d8j h PHE 10 Ca 0.00 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1d8j h PHE 10 Cb 0.00 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1d8j h PHE 10 CO 0.00 0.48 0.40 0.78 -0.60 0.00 0.00 178.31 179.37 1d8j h GLY 11 N -0.23 0.94 0.96 -1.45 0.00 -0.37 0.68 103.07 103.60 1d8j h GLY 11 Ca 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1d8j h GLY 11 CO 0.01 0.37 -0.02 -2.08 0.00 0.00 0.00 176.54 174.82 1d8j h VAL 12 N 0.88 1.00 -0.46 4.60 2.07 -1.71 0.07 116.25 122.70 1d8j h VAL 12 Ca 0.24 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1d8j h VAL 12 Cb -0.05 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1d8j h VAL 12 CO -0.05 0.02 0.29 0.25 0.02 0.00 0.00 177.57 178.11 1d8j h LEU 13 N -0.09 0.54 -0.47 2.57 5.85 -0.96 -1.24 115.31 121.52 1d8j h LEU 13 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1d8j h LEU 13 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1d8j h LEU 13 CO 0.01 0.42 0.25 0.00 -0.34 0.00 0.00 178.44 178.77 1d8j h ALA 14 N 1.15 0.61 -0.23 1.25 0.00 -0.71 -0.04 119.26 121.28 1d8j h ALA 14 Ca 0.17 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1d8j h ALA 14 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1d8j h ALA 14 CO -0.03 0.15 0.05 0.87 0.00 0.00 0.00 179.25 180.28 1d8j h LYS 15 N 0.62 0.14 0.01 0.00 1.79 -0.70 -0.30 116.57 118.13 1d8j h LYS 15 Ca 0.16 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1d8j h LYS 15 Cb 0.08 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1d8j h LYS 15 CO -0.02 0.09 -0.02 0.82 -1.08 0.00 0.00 179.45 179.24 1d8j h ILE 16 N 0.14 0.96 -0.31 1.86 2.04 -0.93 0.34 117.51 121.61 1d8j h ILE 16 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1d8j h ILE 16 Cb 0.10 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1d8j h ILE 16 CO -0.14 0.00 0.04 0.58 0.00 0.00 0.00 178.15 178.63 1d8j h VAL 17 N -0.03 0.82 -0.42 1.67 2.07 -0.72 -0.18 116.25 119.47 1d8j h VAL 17 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1d8j h VAL 17 Cb 0.04 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1d8j h VAL 17 CO -0.01 0.03 0.21 -1.13 0.02 0.00 0.00 177.57 176.69 1d8j h ASN 18 N 0.14 0.54 0.46 0.57 -1.24 -0.82 0.13 115.58 115.37 1d8j h ASN 18 Ca 0.15 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1d8j h ASN 18 Cb 0.17 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 1d8j h ASN 18 CO -0.21 0.51 -0.27 0.22 -1.29 0.00 0.00 177.43 176.39 1d8j h TYR 19 N 0.54 -0.70 -0.48 0.67 3.20 -0.51 -0.19 116.97 119.51 1d8j h TYR 19 Ca 0.15 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1d8j h TYR 19 Cb 0.10 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1d8j h TYR 19 CO -0.01 -0.42 0.15 1.98 -1.64 0.00 0.00 178.16 178.22 1d8j h MET 20 N -0.69 0.71 0.50 1.82 4.05 -0.98 0.59 114.93 120.94 1d8j h MET 20 Ca -0.06 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1d8j h MET 20 Cb 0.55 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1d8j h MET 20 CO 0.07 0.62 -0.24 -0.22 0.23 0.00 0.00 176.91 177.37 1d8j h LYS 21 N 0.70 -0.65 -0.62 0.39 3.64 -0.45 0.83 116.57 120.41 1d8j h LYS 21 Ca 0.16 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1d8j h LYS 21 Cb 0.21 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1d8j h LYS 21 CO -0.01 -0.41 0.32 1.15 -2.27 0.00 0.00 179.45 178.22 1d8j h THR 22 N -0.72 1.21 -0.17 1.00 2.02 -0.80 0.17 112.91 115.61 1d8j h THR 22 Ca -0.07 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1d8j h THR 22 Cb 0.54 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1d8j h THR 22 CO 0.11 0.23 -0.06 0.03 0.37 0.00 0.00 175.52 176.21 1d8j h ARG 23 N 0.84 -0.02 -0.67 6.66 2.47 -0.76 -1.64 114.38 121.26 1d8j h ARG 23 Ca 0.21 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.88 1d8j h ARG 23 Cb 0.08 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1d8j h ARG 23 CO -0.03 -0.01 0.20 1.25 0.56 0.00 0.00 179.97 181.94 1d8j h HIS 24 N -0.02 1.07 -0.36 3.04 2.76 -0.57 0.00 115.15 121.07 1d8j h HIS 24 Ca 0.09 -0.10 -0.28 0.00 -2.20 0.00 0.00 60.37 57.88 1d8j h HIS 24 Cb 0.15 -0.31 -0.10 0.00 1.55 0.00 0.00 27.41 28.70 1d8j h HIS 24 CO -0.21 0.85 -0.08 1.04 -1.30 0.00 0.00 177.93 178.24 1d8j n GLN 25 N -4.26 2.04 0.00 5.26 6.02 0.56 -3.72 117.38 123.28 1d8j n GLN 25 Ca 0.05 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 1d8j n GLN 25 Cb 0.22 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1d8j n GLN 25 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1d8j n ARG 26 N 1.81 0.00 0.00 -1.09 0.63 -1.03 -4.87 116.66 112.11 1d8j n ARG 26 Ca 0.41 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1d8j n ARG 26 Cb 0.76 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.67 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 -1.43 0.32 2.34 5.14 0.00 -0.66 -5.02 105.19 105.87 1d8j n GLY 27 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 8.57 -0.10 1.61 8.00 -0.10 -4.43 116.55 130.10 1d8j n ASP 28 Ca 0.00 -2.64 0.14 0.00 0.71 0.00 0.00 54.79 52.99 1d8j n ASP 28 Cb 0.00 -1.54 0.52 0.00 -0.02 0.00 0.00 41.12 40.08 1d8j n ASP 28 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1d8j n THR 29 N 3.41 0.00 -1.77 -3.53 5.66 -1.26 -3.14 114.28 113.65 1d8j n THR 29 Ca 0.76 -0.05 -0.33 0.00 -3.05 0.00 0.00 64.05 61.38 1d8j n THR 29 Cb 0.24 -0.02 0.05 0.00 -1.55 0.00 0.00 70.33 69.05 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 -2.63 2.65 0.47 1.09 -3.43 -1.26 -4.69 115.29 107.49 1d8j s HIS 30 Ca 0.23 1.55 -0.22 0.00 -0.80 0.00 0.00 55.06 55.82 1d8j s HIS 30 Cb 0.19 -3.15 -0.07 0.00 -1.43 0.00 0.00 32.58 28.12 1d8j s HIS 30 CO 0.53 -1.65 1.15 -1.25 -2.00 0.00 0.00 174.74 171.52 1d8j s PRO 31 N -4.12 3.70 0.02 -0.38 0.04 -1.26 -4.85 135.00 128.16 1d8j s PRO 31 Ca 0.67 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1d8j s PRO 31 Cb -0.20 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1d8j s PRO 31 CO 0.42 -0.59 -0.08 -0.51 0.04 0.00 0.00 177.00 176.27 1d8j s LEU 32 N -3.16 2.14 1.22 -3.56 1.43 0.72 -4.87 118.68 112.59 1d8j s LEU 32 Ca 0.65 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 1d8j s LEU 32 Cb -0.27 -0.31 0.29 0.00 0.03 0.00 0.00 46.19 45.93 1d8j s LEU 32 CO 0.33 -0.04 1.03 0.42 0.23 0.00 0.00 176.35 178.31 1d8j s THR 33 N -0.75 1.72 0.06 5.49 -4.23 -1.26 -0.82 115.64 115.86 1d8j s THR 33 Ca -0.02 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.13 1d8j s THR 33 Cb -0.06 -2.23 -0.20 0.00 1.34 0.00 0.00 72.50 71.35 1d8j s THR 33 CO 0.00 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 175.93 1d8j h LEU 34 N -2.72 -0.96 -1.16 4.79 7.12 -1.96 -2.45 115.31 117.98 1d8j h LEU 34 Ca -0.53 0.03 0.03 0.00 0.13 0.00 0.00 57.88 57.54 1d8j h LEU 34 Cb 1.33 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.66 1d8j h LEU 34 CO 0.43 -0.69 0.57 0.44 -0.13 0.00 0.00 178.44 179.07 1d8j h ASP 35 N -1.14 0.95 -0.97 1.25 3.32 -1.99 -1.10 116.42 116.74 1d8j h ASP 35 Ca -0.12 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.97 1d8j h ASP 35 Cb 0.87 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1d8j h ASP 35 CO 0.19 0.66 0.63 -0.33 -1.72 0.00 0.00 179.24 178.68 1d8j h GLU 36 N 1.11 1.16 -0.35 3.56 5.08 -1.89 -0.11 114.58 123.13 1d8j h GLU 36 Ca 0.34 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1d8j h GLU 36 Cb -0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1d8j h GLU 36 CO -0.10 0.77 -0.18 0.82 -1.00 0.00 0.00 179.01 179.32 1d8j h ILE 37 N 1.19 1.29 -0.34 3.13 2.04 -0.75 -3.18 117.51 120.88 1d8j h ILE 37 Ca 0.40 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1d8j h ILE 37 Cb 0.06 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1d8j h ILE 37 CO -0.13 0.43 0.22 -0.07 0.00 0.00 0.00 178.15 178.59 1d8j h LEU 38 N 0.53 0.38 -0.16 1.44 3.38 -0.44 -2.69 115.31 117.73 1d8j h LEU 38 Ca 0.08 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1d8j h LEU 38 Cb 0.72 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1d8j h LEU 38 CO 0.05 0.27 -0.53 -0.78 0.09 0.00 0.00 178.44 177.55 1d8j h ASP 39 N 0.45 -1.68 -0.81 -0.43 1.82 -1.03 0.13 116.42 114.88 1d8j h ASP 39 Ca 0.13 0.20 0.06 0.00 -0.39 0.00 0.00 57.03 57.04 1d8j h ASP 39 Cb -0.04 0.66 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 1d8j h ASP 39 CO -0.04 -0.47 0.49 -0.33 -1.61 0.00 0.00 179.24 177.28 1d8j h GLU 40 N -0.55 0.85 -0.00 0.28 4.39 -1.57 -0.11 114.58 117.87 1d8j h GLU 40 Ca 0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1d8j h GLU 40 Cb 0.67 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1d8j h GLU 40 CO -0.45 0.57 0.00 0.25 -1.16 0.00 0.00 179.01 178.22 1d8j n THR 41 N -4.67 0.00 0.00 1.13 -2.24 -0.64 -4.88 114.28 102.99 1d8j n THR 41 Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1d8j n THR 41 Cb 0.19 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.74 0.00 -0.58 -0.78 0.00 0.36 -4.85 117.38 110.79 1d8j n GLN 42 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 57.10 1d8j n GLN 42 Cb 0.06 -2.17 -0.04 0.00 0.00 0.00 0.00 30.24 28.09 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 -1.80 0.00 -0.03 3.69 -0.00 -0.62 -4.28 115.22 112.18 1d8j n HIS 43 Ca 0.00 -1.03 -0.15 0.00 -0.00 0.00 0.00 57.72 56.54 1d8j n HIS 43 Cb 0.00 -0.75 -0.09 0.00 -0.00 0.00 0.00 29.99 29.14 1d8j n HIS 43 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1d8j h LEU 44 N 3.64 0.42 0.47 2.41 6.46 -1.86 -3.28 115.31 123.57 1d8j h LEU 44 Ca 0.05 -0.65 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 1d8j h LEU 44 Cb 1.04 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1d8j h LEU 44 CO 0.07 1.00 -0.23 0.44 -0.62 0.00 0.00 178.44 179.11 1d8j h ASP 45 N -0.13 -0.53 0.00 1.25 5.19 -1.94 -3.46 116.42 116.80 1d8j h ASP 45 Ca -0.02 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1d8j h ASP 45 Cb 0.99 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1d8j h ASP 45 CO 0.07 -0.30 0.00 0.00 -3.12 0.00 0.00 179.24 175.89 1d8j n ILE 46 N -5.32 0.00 -3.64 0.35 3.06 -1.24 -4.75 119.36 107.82 1d8j n ILE 46 Ca -0.11 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 59.99 1d8j n ILE 46 Cb 0.29 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.40 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 0.00 -0.34 0.21 4.50 0.00 -1.26 -5.04 107.32 105.38 1d8j s GLY 47 Ca 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 1d8j s GLY 47 CO 0.00 0.41 1.79 -2.00 0.00 0.00 0.00 173.10 173.30 1d8j h LEU 48 N 3.33 0.46 -0.43 0.66 6.46 -1.99 0.14 115.31 123.94 1d8j h LEU 48 Ca -0.29 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1d8j h LEU 48 Cb 1.17 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1d8j h LEU 48 CO 0.40 0.30 0.28 0.11 -0.62 0.00 0.00 178.44 178.91 1d8j h LYS 49 N 0.60 0.55 -0.05 1.25 1.57 -1.98 0.02 116.57 118.53 1d8j h LYS 49 Ca 0.29 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1d8j h LYS 49 Cb 0.23 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1d8j h LYS 49 CO -0.21 0.37 -0.04 1.96 -0.57 0.00 0.00 179.45 180.96 1d8j h GLN 50 N 0.57 0.12 -0.47 3.15 4.20 -1.82 0.18 115.11 121.03 1d8j h GLN 50 Ca 0.16 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.91 1d8j h GLN 50 Cb -0.05 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.65 1d8j h GLN 50 CO -0.05 0.54 0.01 -0.22 -0.67 0.00 0.00 178.83 178.44 1d8j h LYS 51 N -0.30 0.12 -0.16 1.46 3.64 -0.62 0.12 116.57 120.83 1d8j h LYS 51 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1d8j h LYS 51 Cb 0.51 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1d8j h LYS 51 CO 0.01 0.08 0.06 0.37 -2.27 0.00 0.00 179.45 177.71 1d8j h GLN 52 N 0.13 0.24 -0.59 1.90 4.15 -0.96 -2.05 115.11 117.93 1d8j h GLN 52 Ca 0.24 -0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.71 1d8j h GLN 52 Cb 0.35 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.93 1d8j h GLN 52 CO -0.39 0.32 0.20 2.35 -1.93 0.00 0.00 178.83 179.39 1d8j h TRP 53 N 0.10 0.35 -0.83 3.99 7.01 -0.08 0.18 115.95 126.68 1d8j h TRP 53 Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1d8j h TRP 53 Cb 0.17 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 1d8j h TRP 53 CO -0.01 0.08 0.44 -0.07 -2.79 0.00 0.00 178.44 176.08 1d8j h LEU 54 N 0.37 1.05 -0.45 0.65 3.38 -0.64 0.37 115.31 120.04 1d8j h LEU 54 Ca 0.30 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1d8j h LEU 54 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1d8j h LEU 54 CO -0.31 0.86 -0.55 -0.03 0.09 0.00 0.00 178.44 178.50 1d8j h MET 55 N 1.16 0.00 -0.00 1.13 4.05 -0.44 0.47 114.93 121.30 1d8j h MET 55 Ca 0.29 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1d8j h MET 55 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1d8j h MET 55 CO -0.04 0.55 -0.05 -2.37 0.23 0.00 0.00 176.91 175.23 1d8j n THR 56 N -3.43 0.00 0.00 -0.77 5.66 0.50 -4.62 114.28 111.62 1d8j n THR 56 Ca 0.00 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1d8j n THR 56 Cb 0.67 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.46 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 -0.81 0.00 -0.02 1.09 2.13 0.12 -4.85 120.64 118.30 1d8j n GLU 57 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 1d8j n GLU 57 Cb 0.02 -0.22 -0.00 0.00 0.27 0.00 0.00 31.44 31.51 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 -0.05 -0.00 4.31 0.00 -1.30 -3.38 119.26 118.84 1d8j h ALA 58 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d8j h ALA 58 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1d8j h ALA 58 CO 0.00 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1d8j n LEU 59 N -3.83 0.06 0.00 0.00 4.77 0.16 -3.86 117.00 114.30 1d8j n LEU 59 Ca -0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1d8j n LEU 59 Cb 0.01 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1d8j n LEU 59 CO 0.01 0.01 0.00 1.33 -1.33 0.00 0.00 177.39 177.41 1d8j n VAL 60 N -0.83 0.00 -1.25 4.08 0.24 -1.26 -4.31 118.33 115.01 1d8j n VAL 60 Ca 0.18 0.10 -0.21 0.00 -2.04 0.00 0.00 64.34 62.37 1d8j n VAL 60 Cb 0.09 -0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 31.94 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 0.00 6.15 -4.73 -1.34 0.23 -1.26 -4.59 115.26 109.71 1d8j n ASN 61 Ca 0.00 -2.76 -0.41 0.00 -0.53 0.00 0.00 54.58 50.89 1d8j n ASN 61 Cb 0.00 -1.37 -0.05 0.00 -2.08 0.00 0.00 39.78 36.28 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 1.40 7.46 0.52 0.53 3.84 -1.22 -4.95 114.94 122.52 1d8j s ASN 62 Ca 0.64 1.74 0.27 0.00 0.21 0.00 0.00 52.86 55.72 1d8j s ASN 62 Cb 0.32 -2.57 1.43 0.00 -0.55 0.00 0.00 41.25 39.87 1d8j s ASN 62 CO -0.08 -0.03 2.07 1.55 -2.79 0.00 0.00 177.10 177.81 1d8j h PRO 63 N 5.49 0.00 -0.07 0.43 0.13 -1.92 -2.85 132.00 133.21 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1d8j h PRO 63 CO 0.71 0.12 0.00 1.63 -0.23 0.00 0.00 178.00 180.23 1d8j n LYS 64 N -3.67 1.13 -3.78 0.86 5.02 -1.26 -4.82 118.16 111.63 1d8j n LYS 64 Ca -0.02 -1.42 -0.13 0.00 -2.02 0.00 0.00 58.31 54.72 1d8j n LYS 64 Cb 0.24 -1.27 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.10 -0.03 0.23 -0.18 1.09 -1.08 -0.63 121.20 119.51 1d8j s ILE 65 Ca 0.17 0.10 0.10 0.00 -1.10 0.00 0.00 60.65 59.92 1d8j s ILE 65 Cb 0.12 -0.21 -0.04 0.00 -1.06 0.00 0.00 42.46 41.26 1d8j s ILE 65 CO 0.17 0.04 -0.11 -0.70 -0.10 0.00 0.00 174.94 174.24 1d8j s GLU 66 N 0.67 1.98 -0.22 2.79 2.56 0.59 -3.42 118.70 123.65 1d8j s GLU 66 Ca -0.05 -1.46 -0.10 0.00 0.00 0.00 0.00 54.97 53.36 1d8j s GLU 66 Cb -0.07 -2.04 -0.05 0.00 2.00 0.00 0.00 34.13 33.98 1d8j s GLU 66 CO -0.03 0.39 0.14 0.08 -0.56 0.00 0.00 175.26 175.27 1d8j s VAL 67 N -2.07 5.28 -0.07 3.70 1.01 -1.26 -0.53 120.40 126.45 1d8j s VAL 67 Ca 0.28 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1d8j s VAL 67 Cb -0.07 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1d8j s VAL 67 CO 0.16 0.38 -0.00 -0.63 0.00 0.00 0.00 175.10 175.01 1d8j s ILE 68 N 0.80 0.39 -1.42 2.22 1.09 0.08 -4.85 121.20 119.52 1d8j s ILE 68 Ca 0.07 0.09 -0.05 0.00 -1.10 0.00 0.00 60.65 59.66 1d8j s ILE 68 Cb -0.13 -0.53 0.03 0.00 -1.06 0.00 0.00 42.46 40.77 1d8j s ILE 68 CO 0.02 0.25 0.69 -0.67 -0.10 0.00 0.00 174.94 175.13 1d8j n ASP 69 N 4.99 -1.89 0.00 3.58 2.03 -1.26 -1.30 116.55 122.69 1d8j n ASP 69 Ca -0.10 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1d8j n ASP 69 Cb 0.50 -3.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.28 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 -1.71 1.01 3.71 0.27 0.00 -1.26 -4.94 105.19 102.27 1d8j n GLY 70 Ca -0.20 0.00 -0.30 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 0.00 -0.32 0.17 1.61 1.02 -0.42 -4.92 119.74 116.88 1d8j s LYS 71 Ca 0.00 -0.07 0.10 0.00 0.02 0.00 0.00 55.97 56.02 1d8j s LYS 71 Cb 0.00 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1d8j s LYS 71 CO 0.00 -3.11 -0.19 0.71 -0.92 0.00 0.00 175.35 171.84 1d8j s TYR 72 N -3.27 2.45 -0.06 3.18 1.51 0.00 -0.74 117.35 120.43 1d8j s TYR 72 Ca 0.70 -0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 56.42 1d8j s TYR 72 Cb -0.09 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1d8j s TYR 72 CO 0.55 0.47 0.15 0.00 -1.11 0.00 0.00 175.55 175.61 1d8j s ALA 73 N -1.51 -0.37 0.23 3.71 0.00 0.31 -0.20 121.76 123.93 1d8j s ALA 73 Ca 0.21 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1d8j s ALA 73 Cb -0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 1d8j s ALA 73 CO 0.11 -0.08 1.48 0.12 0.00 0.00 0.00 175.76 177.39 1d8j s PHE 74 N 0.18 3.01 -0.33 0.00 2.19 -1.26 -0.30 117.98 121.47 1d8j s PHE 74 Ca -0.01 0.92 -0.21 0.00 0.33 0.00 0.00 56.93 57.97 1d8j s PHE 74 Cb -0.02 -3.86 -0.00 0.00 -1.31 0.00 0.00 43.02 37.83 1d8j s PHE 74 CO -0.00 -2.89 0.65 0.21 1.83 0.00 0.00 175.22 175.01 1d8j s LYS 75 N -0.03 3.79 -0.44 10.12 2.20 0.20 -4.78 119.74 130.80 1d8j s LYS 75 Ca 0.62 0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 1d8j s LYS 75 Cb -0.43 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.12 1d8j s LYS 75 CO 0.41 -0.67 1.60 -1.25 -0.36 0.00 0.00 175.35 175.07 1d8j s PRO 76 N 2.71 3.32 0.10 4.03 0.04 -1.26 -4.78 135.00 139.17 1d8j s PRO 76 Ca 0.26 0.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 1d8j s PRO 76 Cb -0.15 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 1d8j s PRO 76 CO 0.14 -1.88 1.64 -0.22 0.04 0.00 0.00 177.00 176.72 1d8j h LYS 77 N 12.03 0.39 0.00 4.56 3.64 -1.95 -3.35 116.57 131.89 1d8j h LYS 77 Ca -0.29 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1d8j h LYS 77 Cb 1.13 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1d8j h LYS 77 CO 1.10 0.43 -0.26 2.48 -2.27 0.00 0.00 179.45 180.94 1d8j n TYR 78 N -4.77 0.00 -4.93 1.91 4.11 -1.26 -5.14 117.16 107.08 1d8j n TYR 78 Ca -0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 57.90 57.78 1d8j n TYR 78 Cb 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.44 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 -0.12 -1.48 -4.17 9.48 2.85 -1.26 -4.85 115.26 115.72 1d8j n ASN 79 Ca 0.01 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.30 1d8j n ASN 79 Cb 0.60 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.50 1d8j n ASN 79 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1d8j s VAL 80 N 0.00 1.10 -2.27 3.44 0.11 -1.26 -5.06 120.40 116.46 1d8j s VAL 80 Ca 0.00 -1.31 0.30 0.00 -2.93 0.00 0.00 61.98 58.04 1d8j s VAL 80 Cb 0.00 -1.07 0.72 0.00 -1.53 0.00 0.00 36.38 34.49 1d8j s VAL 80 CO 0.00 -0.23 1.97 -1.14 -3.33 0.00 0.00 175.10 172.36