#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcj s THR 2 N 0.00 4.28 -0.45 1.12 2.01 -1.26 -5.07 115.64 116.27 1dcj s THR 2 Ca 0.00 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 1dcj s THR 2 Cb 0.00 -2.94 0.07 0.00 0.01 0.00 0.00 72.50 69.64 1dcj s THR 2 CO 0.00 0.43 0.35 -1.81 -0.69 0.00 0.00 174.62 172.89 1dcj s ASP 3 N 0.85 6.01 0.40 3.53 1.11 -1.26 -4.91 116.67 122.40 1dcj s ASP 3 Ca 0.02 -1.30 0.21 0.00 0.18 0.00 0.00 52.55 51.66 1dcj s ASP 3 Cb -0.14 -2.13 0.72 0.00 1.07 0.00 0.00 42.92 42.44 1dcj s ASP 3 CO 0.02 -0.59 1.74 -0.07 1.18 0.00 0.00 175.17 177.45 1dcj h LEU 4 N 8.65 0.00 -1.54 1.23 3.38 -1.97 -2.65 115.31 122.42 1dcj h LEU 4 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1dcj h LEU 4 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1dcj h LEU 4 CO 0.83 0.30 0.00 0.49 0.09 0.00 0.00 178.44 180.15 1dcj n PHE 5 N -3.40 0.59 -0.70 1.13 3.01 -1.26 -4.82 117.46 112.01 1dcj n PHE 5 Ca 0.00 -0.22 -0.22 0.00 1.01 0.00 0.00 57.45 58.01 1dcj n PHE 5 Cb 0.50 -0.15 0.10 0.00 -0.01 0.00 0.00 39.48 39.92 1dcj n PHE 5 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1dcj n SER 6 N 0.24 -2.70 -4.46 4.37 7.64 -1.00 -4.39 113.62 113.32 1dcj n SER 6 Ca 0.09 -0.19 -0.45 0.00 1.01 0.00 0.00 58.87 59.34 1dcj n SER 6 Cb 0.44 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.84 1dcj n SER 6 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dcj n SER 7 N 0.38 1.23 -4.78 6.43 3.41 -1.26 -4.87 113.62 114.15 1dcj n SER 7 Ca 0.02 0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.50 1dcj n SER 7 Cb 0.44 -1.14 0.13 0.00 -0.26 0.00 0.00 64.21 63.38 1dcj n SER 7 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1dcj s PRO 8 N 7.76 1.22 0.30 4.33 0.04 -1.26 -4.97 135.00 142.42 1dcj s PRO 8 Ca 1.19 0.25 0.18 0.00 0.04 0.00 0.00 61.00 62.67 1dcj s PRO 8 Cb -0.96 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 31.85 1dcj s PRO 8 CO 0.46 -2.14 1.41 -0.44 0.04 0.00 0.00 177.00 176.34 1dcj h ASP 9 N -1.45 0.00 -5.52 6.66 5.19 -1.63 -3.47 116.42 116.19 1dcj h ASP 9 Ca -0.50 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 55.68 1dcj h ASP 9 Cb 1.33 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.73 1dcj h ASP 9 CO 0.62 0.32 -0.36 -1.00 -3.12 0.00 0.00 179.24 175.70 1dcj s HIS 10 N -3.06 1.01 0.10 4.55 3.76 -0.44 -4.97 115.29 116.24 1dcj s HIS 10 Ca 0.04 -1.23 -0.07 0.00 -0.15 0.00 0.00 55.06 53.66 1dcj s HIS 10 Cb 0.07 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 1dcj s HIS 10 CO 0.73 -0.89 0.16 0.99 -0.85 0.00 0.00 174.74 174.88 1dcj s THR 11 N -3.75 0.14 -0.22 1.30 2.01 -1.26 -1.17 115.64 112.70 1dcj s THR 11 Ca 0.33 -1.40 -0.03 0.00 0.31 0.00 0.00 61.69 60.89 1dcj s THR 11 Cb 0.03 -1.53 0.11 0.00 0.01 0.00 0.00 72.50 71.11 1dcj s THR 11 CO 0.15 -0.63 0.30 -0.22 -0.69 0.00 0.00 174.62 173.53 1dcj s LEU 12 N -2.91 -0.36 0.25 4.42 2.96 0.83 -4.87 118.68 119.00 1dcj s LEU 12 Ca 0.09 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 1dcj s LEU 12 Cb 0.05 0.75 -0.09 0.00 0.50 0.00 0.00 46.19 47.40 1dcj s LEU 12 CO -0.08 -0.31 0.94 -0.62 -1.32 0.00 0.00 176.35 174.96 1dcj s ASP 13 N 2.43 7.60 0.00 3.68 2.15 -1.26 -0.79 116.67 130.48 1dcj s ASP 13 Ca 0.09 1.93 0.00 0.00 0.43 0.00 0.00 52.55 55.00 1dcj s ASP 13 Cb -0.15 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1dcj s ASP 13 CO -0.14 0.13 0.86 0.00 -0.17 0.00 0.00 175.17 175.86 1dcj n ALA 14 N 1.36 1.97 -2.61 3.66 0.00 0.34 -4.83 120.51 120.40 1dcj n ALA 14 Ca -0.02 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1dcj n ALA 14 Cb 0.47 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1dcj n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dcj s LEU 15 N 0.00 3.71 0.00 0.00 1.43 -1.26 -1.86 118.68 120.71 1dcj s LEU 15 Ca 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1dcj s LEU 15 Cb 0.00 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1dcj s LEU 15 CO 0.00 -1.39 0.00 0.61 0.23 0.00 0.00 176.35 175.80 1dcj n GLY 16 N 5.09 0.43 3.91 -3.19 0.00 -1.26 -4.82 105.19 105.35 1dcj n GLY 16 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1dcj n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dcj s LEU 17 N 0.00 4.30 0.00 0.99 1.43 -0.78 -4.99 118.68 119.63 1dcj s LEU 17 Ca 0.00 0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1dcj s LEU 17 Cb 0.00 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 1dcj s LEU 17 CO 0.00 0.09 0.09 0.00 0.23 0.00 0.00 176.35 176.77 1dcj s ARG 18 N -2.62 0.40 0.32 1.70 1.70 -1.26 -4.12 118.95 115.07 1dcj s ARG 18 Ca 0.39 -0.40 -0.26 0.00 -0.47 0.00 0.00 55.73 54.99 1dcj s ARG 18 Cb -0.12 0.16 -0.14 0.00 -0.57 0.00 0.00 34.95 34.28 1dcj s ARG 18 CO 0.26 -0.09 0.79 0.00 -1.08 0.00 0.00 175.30 175.18 1dcj n PRO 20 N 0.70 1.64 -0.17 0.00 -0.04 -1.26 -4.91 135.00 130.96 1dcj n PRO 20 Ca 0.12 -0.95 -0.02 0.00 -0.04 0.00 0.00 63.50 62.61 1dcj n PRO 20 Cb 0.33 -1.40 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1dcj n PRO 20 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1dcj h GLU 21 N 1.98 0.23 0.35 0.54 4.39 -0.77 0.62 114.58 121.93 1dcj h GLU 21 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1dcj h GLU 21 Cb 0.43 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1dcj h GLU 21 CO 0.00 0.15 -0.17 -1.00 -1.16 0.00 0.00 179.01 176.84 1dcj h PRO 22 N 0.24 -0.45 -0.58 2.33 0.13 -1.87 -1.32 132.00 130.49 1dcj h PRO 22 Ca 0.26 0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.59 1dcj h PRO 22 Cb 0.36 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1dcj h PRO 22 CO -0.34 -0.30 0.70 0.28 -0.23 0.00 0.00 178.00 178.10 1dcj h VAL 23 N -0.77 0.22 -0.14 1.56 2.07 -1.87 0.46 116.25 117.78 1dcj h VAL 23 Ca -0.05 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.32 1dcj h VAL 23 Cb 0.36 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1dcj h VAL 23 CO 0.08 0.00 -0.53 0.24 0.02 0.00 0.00 177.57 177.38 1dcj h MET 24 N 0.00 0.60 -0.71 1.57 2.86 0.74 -2.69 114.93 117.29 1dcj h MET 24 Ca 0.27 -0.46 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1dcj h MET 24 Cb 1.66 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.37 1dcj h MET 24 CO -0.00 1.08 0.47 0.52 1.06 0.00 0.00 176.91 180.04 1dcj h MET 25 N 0.24 0.93 0.00 1.72 2.86 0.11 -0.45 114.93 120.33 1dcj h MET 25 Ca -0.03 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1dcj h MET 25 Cb 1.16 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1dcj h MET 25 CO 0.11 0.62 -0.20 0.28 1.06 0.00 0.00 176.91 178.78 1dcj h VAL 26 N 0.96 1.11 0.27 -2.22 2.07 -1.48 -1.01 116.25 115.95 1dcj h VAL 26 Ca 0.26 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1dcj h VAL 26 Cb -0.11 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1dcj h VAL 26 CO -0.06 0.19 -0.13 0.03 0.02 0.00 0.00 177.57 177.63 1dcj h ARG 27 N 0.00 -0.35 -0.76 1.57 2.47 -0.75 0.75 114.38 117.31 1dcj h ARG 27 Ca -0.00 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1dcj h ARG 27 Cb 0.36 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.72 1dcj h ARG 27 CO 0.03 -0.05 0.41 0.87 0.56 0.00 0.00 179.97 181.78 1dcj h LYS 28 N -0.66 1.06 -0.36 0.04 1.79 -1.23 0.47 116.57 117.68 1dcj h LYS 28 Ca -0.04 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 1dcj h LYS 28 Cb 0.46 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1dcj h LYS 28 CO 0.06 0.79 -0.07 1.15 -1.08 0.00 0.00 179.45 180.31 1dcj h THR 29 N 1.05 1.23 0.00 -0.16 2.02 -1.12 0.18 112.91 116.11 1dcj h THR 29 Ca 0.27 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 1dcj h THR 29 Cb 0.05 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1dcj h THR 29 CO -0.04 0.33 -0.39 0.58 0.37 0.00 0.00 175.52 176.37 1dcj h VAL 30 N 0.56 1.12 0.00 3.16 2.07 0.22 1.31 116.25 124.69 1dcj h VAL 30 Ca 0.11 -1.41 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 1dcj h VAL 30 Cb 0.46 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1dcj h VAL 30 CO 0.02 0.38 -0.83 0.03 0.02 0.00 0.00 177.57 177.19 1dcj h ARG 31 N 0.00 0.00 -0.16 1.57 3.08 0.19 -3.11 114.38 115.94 1dcj h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dcj h ARG 31 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1dcj h ARG 31 CO 0.05 0.83 0.00 0.27 -1.07 0.00 0.00 179.97 180.05 1dcj n ASN 32 N -3.50 2.98 -4.92 7.04 0.23 0.43 -4.96 115.26 112.55 1dcj n ASN 32 Ca -0.00 -1.91 -0.24 0.00 -0.53 0.00 0.00 54.58 51.90 1dcj n ASN 32 Cb 0.81 -0.09 0.06 0.00 -2.08 0.00 0.00 39.78 38.48 1dcj n ASN 32 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1dcj s MET 33 N -1.60 2.30 0.10 -3.83 -1.94 0.44 -5.03 119.30 109.74 1dcj s MET 33 Ca 0.29 -0.55 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 1dcj s MET 33 Cb 0.19 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.67 1dcj s MET 33 CO 0.27 -1.03 -0.12 -0.65 -0.01 0.00 0.00 175.02 173.48 1dcj s GLN 34 N -5.03 0.91 0.01 2.03 -0.21 -1.26 -4.95 119.66 111.16 1dcj s GLN 34 Ca 0.59 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 1dcj s GLN 34 Cb -0.10 -0.73 -0.06 0.00 1.00 0.00 0.00 33.01 33.12 1dcj s GLN 34 CO 0.42 0.13 1.51 -1.25 -2.12 0.00 0.00 175.29 173.98 1dcj s PRO 35 N -2.58 4.24 0.00 2.91 0.04 -1.25 -2.36 135.00 136.01 1dcj s PRO 35 Ca 0.06 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1dcj s PRO 35 Cb -0.05 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1dcj s PRO 35 CO 0.02 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1dcj n GLY 36 N 3.82 1.31 1.94 0.56 0.00 0.42 -4.97 105.19 108.26 1dcj n GLY 36 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1dcj n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dcj n GLU 37 N -1.57 1.34 -3.99 1.61 1.02 -0.99 -4.97 120.64 113.09 1dcj n GLU 37 Ca 0.00 -1.97 -0.09 0.00 -0.02 0.00 0.00 57.16 55.09 1dcj n GLU 37 Cb 0.00 0.52 -0.10 0.00 -0.02 0.00 0.00 31.44 31.83 1dcj n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dcj s THR 38 N -1.96 0.14 -0.10 2.62 -4.23 -1.26 -1.79 115.64 109.06 1dcj s THR 38 Ca 0.00 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1dcj s THR 38 Cb -0.00 -0.72 0.05 0.00 1.34 0.00 0.00 72.50 73.17 1dcj s THR 38 CO 0.00 -0.64 0.12 -0.22 -0.54 0.00 0.00 174.62 173.35 1dcj s LEU 39 N -1.96 0.07 0.15 4.79 2.96 -0.92 -1.32 118.68 122.43 1dcj s LEU 39 Ca -0.08 0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.65 1dcj s LEU 39 Cb -0.03 0.06 -0.07 0.00 0.50 0.00 0.00 46.19 46.64 1dcj s LEU 39 CO -0.04 -0.28 0.64 -0.22 -1.32 0.00 0.00 176.35 175.13 1dcj s LEU 40 N 2.23 4.44 0.03 -0.68 2.96 -0.32 -0.99 118.68 126.35 1dcj s LEU 40 Ca 0.04 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 1dcj s LEU 40 Cb -0.13 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 1dcj s LEU 40 CO -0.06 0.15 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.44 1dcj s ILE 41 N -1.32 0.30 0.23 6.68 1.01 -0.88 -0.12 121.20 127.11 1dcj s ILE 41 Ca 0.36 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1dcj s ILE 41 Cb -0.18 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 1dcj s ILE 41 CO 0.20 -0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 173.96 1dcj s ILE 42 N -1.41 1.72 -0.29 2.92 1.01 0.03 -1.04 121.20 124.14 1dcj s ILE 42 Ca -0.13 -2.19 -0.15 0.00 0.00 0.00 0.00 60.65 58.18 1dcj s ILE 42 Cb -0.10 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.29 1dcj s ILE 42 CO -0.00 -0.49 0.82 0.00 0.00 0.00 0.00 174.94 175.27 1dcj s ALA 43 N -2.98 -2.10 -0.09 9.38 0.00 0.22 -0.51 121.76 125.68 1dcj s ALA 43 Ca 0.25 2.31 0.17 0.00 0.00 0.00 0.00 51.96 54.69 1dcj s ALA 43 Cb 0.01 -1.61 -0.25 0.00 0.00 0.00 0.00 23.12 21.27 1dcj s ALA 43 CO 0.09 -0.44 0.25 -0.40 0.00 0.00 0.00 175.76 175.26 1dcj n ASP 44 N 4.20 0.82 -4.77 0.00 5.68 -0.96 -0.31 116.55 121.21 1dcj n ASP 44 Ca -0.18 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.71 1dcj n ASP 44 Cb 0.57 1.44 0.00 0.00 -1.14 0.00 0.00 41.12 42.00 1dcj n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1dcj s ASP 45 N -4.53 6.20 0.38 -1.12 2.15 -1.23 -4.87 116.67 113.66 1dcj s ASP 45 Ca -0.07 2.92 0.26 0.00 0.43 0.00 0.00 52.55 56.08 1dcj s ASP 45 Cb 0.09 -2.66 0.69 0.00 -0.30 0.00 0.00 42.92 40.74 1dcj s ASP 45 CO 0.73 -0.95 1.72 1.55 -0.17 0.00 0.00 175.17 178.05 1dcj h PRO 46 N 2.74 0.00 -0.01 4.34 0.13 -1.91 -3.01 132.00 134.28 1dcj h PRO 46 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1dcj h PRO 46 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1dcj h PRO 46 CO 0.63 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -1.99 2.83 0.03 -0.56 0.00 -1.26 -3.99 120.51 115.58 1dcj n ALA 47 Ca 0.04 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1dcj n ALA 47 Cb 0.44 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 1dcj n ALA 47 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1dcj h THR 48 N 1.66 0.77 -0.33 0.00 1.35 -1.85 -0.67 112.91 113.84 1dcj h THR 48 Ca 0.00 -2.41 0.07 0.00 -0.55 0.00 0.00 66.41 63.52 1dcj h THR 48 Cb 0.49 2.62 -0.02 0.00 -1.73 0.00 0.00 68.15 69.52 1dcj h THR 48 CO 0.00 0.88 0.23 0.71 -0.25 0.00 0.00 175.52 177.09 1dcj h THR 49 N 0.07 0.89 0.03 6.82 1.35 -1.69 0.52 112.91 120.89 1dcj h THR 49 Ca -0.39 -0.04 -0.37 0.00 -0.55 0.00 0.00 66.41 65.06 1dcj h THR 49 Cb 2.05 0.78 -0.06 0.00 -1.73 0.00 0.00 68.15 69.19 1dcj h THR 49 CO 0.12 0.02 -2.31 0.54 -0.25 0.00 0.00 175.52 173.65 1dcj n ARG 50 N -4.46 0.68 -0.04 4.72 1.74 -1.25 -4.44 116.66 113.61 1dcj n ARG 50 Ca 0.04 0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 57.07 1dcj n ARG 50 Cb 0.33 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.06 1dcj n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1dcj h ASP 51 N 0.02 0.23 -0.28 0.55 3.32 -0.89 -2.75 116.42 116.61 1dcj h ASP 51 Ca -0.52 -0.76 0.06 0.00 0.02 0.00 0.00 57.03 55.83 1dcj h ASP 51 Cb 2.00 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 41.42 1dcj h ASP 51 CO -0.02 1.58 -0.10 0.40 -1.72 0.00 0.00 179.24 179.39 1dcj h ILE 52 N -0.53 0.66 -0.01 0.35 2.04 -1.04 0.36 117.51 119.34 1dcj h ILE 52 Ca -0.33 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1dcj h ILE 52 Cb 1.60 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1dcj h ILE 52 CO -0.04 0.00 -0.02 1.55 0.00 0.00 0.00 178.15 179.64 1dcj h PRO 53 N -0.04 0.03 -0.68 2.37 0.13 -1.75 -2.43 132.00 129.62 1dcj h PRO 53 Ca 0.14 -0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.45 1dcj h PRO 53 Cb 0.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 1dcj h PRO 53 CO -0.31 0.66 0.73 0.78 -0.23 0.00 0.00 178.00 179.63 1dcj h GLY 54 N -0.60 0.00 0.11 1.56 0.00 -1.24 0.31 103.07 103.22 1dcj h GLY 54 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dcj h GLY 54 CO 0.01 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1dcj h PHE 55 N 0.00 -0.03 -0.95 5.60 3.57 -0.60 -2.86 116.94 121.67 1dcj h PHE 55 Ca 0.32 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.01 1dcj h PHE 55 Cb 1.78 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 40.45 1dcj h PHE 55 CO 0.00 0.68 0.61 0.00 -2.23 0.00 0.00 178.31 177.37 1dcj h THR 57 N 0.64 1.25 0.00 0.00 2.02 -1.21 -0.16 112.91 115.45 1dcj h THR 57 Ca 0.52 -1.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 1dcj h THR 57 Cb 0.96 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1dcj h THR 57 CO -0.27 0.38 -0.38 0.15 0.37 0.00 0.00 175.52 175.77 1dcj h PHE 58 N 0.43 0.00 -0.35 3.16 3.04 -0.15 -2.95 116.94 120.11 1dcj h PHE 58 Ca 0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1dcj h PHE 58 Cb 0.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1dcj h PHE 58 CO 0.02 0.38 0.00 -1.33 -2.02 0.00 0.00 178.31 175.36 1dcj n MET 59 N -3.80 2.21 -1.65 1.11 2.81 -0.87 -4.92 117.12 112.01 1dcj n MET 59 Ca -0.01 -1.84 0.00 0.00 -1.81 0.00 0.00 57.70 54.04 1dcj n MET 59 Cb 0.46 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1dcj n MET 59 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1dcj n GLU 60 N 1.04 0.00 -2.81 0.03 -0.58 -1.12 -5.00 120.64 112.21 1dcj n GLU 60 Ca 0.18 0.03 -0.21 0.00 -0.42 0.00 0.00 57.16 56.74 1dcj n GLU 60 Cb 0.49 -3.01 0.06 0.00 -0.57 0.00 0.00 31.44 28.41 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1dcj s HIS 61 N -2.00 2.07 0.05 -0.32 3.76 -0.10 -2.55 115.29 116.21 1dcj s HIS 61 Ca 0.00 -0.37 0.09 0.00 -0.15 0.00 0.00 55.06 54.63 1dcj s HIS 61 Cb 0.00 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1dcj s HIS 61 CO 0.00 -1.10 -0.24 -1.21 -0.85 0.00 0.00 174.74 171.34 1dcj s GLU 62 N -4.76 1.57 -0.63 1.40 2.02 -0.56 -4.53 118.70 113.20 1dcj s GLU 62 Ca 0.61 -1.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.31 1dcj s GLU 62 Cb -0.08 -1.75 0.07 0.00 0.10 0.00 0.00 34.13 32.47 1dcj s GLU 62 CO 0.39 0.45 0.92 -1.17 0.02 0.00 0.00 175.26 175.87 1dcj s LEU 63 N -1.32 4.44 -0.05 1.80 2.96 -1.26 -0.04 118.68 125.21 1dcj s LEU 63 Ca 0.10 -0.91 -0.25 0.00 -0.22 0.00 0.00 54.13 52.85 1dcj s LEU 63 Cb -0.10 -2.48 -0.20 0.00 0.50 0.00 0.00 46.19 43.92 1dcj s LEU 63 CO 0.02 -1.35 1.08 0.58 -1.32 0.00 0.00 176.35 175.36 1dcj h VAL 64 N 5.97 1.29 -3.09 1.68 2.07 -0.77 -3.46 116.25 119.94 1dcj h VAL 64 Ca -0.28 -1.32 -0.21 0.00 0.82 0.00 0.00 66.70 65.71 1dcj h VAL 64 Cb 1.07 2.13 -0.30 0.00 -1.52 0.00 0.00 31.29 32.67 1dcj h VAL 64 CO 1.15 0.32 -0.51 0.00 0.02 0.00 0.00 177.57 178.55 1dcj s ALA 65 N -3.79 -0.49 0.28 1.67 0.00 -1.16 -4.91 121.76 113.37 1dcj s ALA 65 Ca -0.15 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1dcj s ALA 65 Cb 0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1dcj s ALA 65 CO 0.62 -0.18 0.41 0.15 0.00 0.00 0.00 175.76 176.76 1dcj s LYS 66 N 1.20 3.35 -0.16 0.00 3.01 -1.26 0.67 119.74 126.55 1dcj s LYS 66 Ca -0.09 -0.78 -0.04 0.00 -1.01 0.00 0.00 55.97 54.05 1dcj s LYS 66 Cb -0.10 -2.84 0.05 0.00 -1.01 0.00 0.00 37.83 33.93 1dcj s LYS 66 CO -0.08 0.29 0.06 -1.21 0.51 0.00 0.00 175.35 174.92 1dcj s GLU 67 N -4.08 0.30 -0.07 1.68 0.41 0.53 -4.88 118.70 112.60 1dcj s GLU 67 Ca 0.38 -0.14 0.24 0.00 -0.41 0.00 0.00 54.97 55.04 1dcj s GLU 67 Cb -0.09 -1.73 0.44 0.00 -1.78 0.00 0.00 34.13 30.97 1dcj s GLU 67 CO 0.30 -0.60 1.17 0.25 -0.49 0.00 0.00 175.26 175.89 1dcj n THR 68 N 5.19 0.44 1.92 3.63 -2.24 -1.26 -1.58 114.28 120.38 1dcj n THR 68 Ca -0.07 -1.56 0.07 0.00 -2.27 0.00 0.00 64.05 60.22 1dcj n THR 68 Cb 0.49 0.90 0.42 0.00 -2.10 0.00 0.00 70.33 70.04 1dcj n THR 68 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dcj n ASP 69 N 0.16 0.00 0.00 3.42 8.00 -1.26 -4.85 116.55 122.02 1dcj n ASP 69 Ca 0.08 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1dcj n ASP 69 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1dcj n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dcj n GLY 70 N 0.67 3.94 2.35 0.44 0.00 -1.26 -5.09 105.19 106.24 1dcj n GLY 70 Ca 0.11 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1dcj n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dcj n LEU 71 N 0.00 -1.99 -4.82 0.99 4.77 -1.26 -4.47 117.00 110.22 1dcj n LEU 71 Ca 0.00 0.59 -0.34 0.00 -0.03 0.00 0.00 56.01 56.23 1dcj n LEU 71 Cb 0.00 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.39 1dcj n LEU 71 CO 0.00 -2.95 0.60 -2.16 -1.33 0.00 0.00 177.39 171.55 1dcj s PRO 72 N -0.71 4.27 0.84 3.23 0.04 -1.26 -5.13 135.00 136.28 1dcj s PRO 72 Ca 0.42 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 1dcj s PRO 72 Cb -0.46 -2.39 0.09 0.00 0.04 0.00 0.00 34.50 31.78 1dcj s PRO 72 CO 0.44 0.09 1.09 0.71 0.04 0.00 0.00 177.00 179.37 1dcj s TYR 73 N -1.99 2.57 0.02 0.56 2.02 0.58 -4.73 117.35 116.39 1dcj s TYR 73 Ca 0.57 1.26 -0.11 0.00 -0.37 0.00 0.00 57.07 58.41 1dcj s TYR 73 Cb -0.12 -3.12 0.01 0.00 -0.40 0.00 0.00 41.96 38.33 1dcj s TYR 73 CO 0.16 -2.04 0.24 1.03 -1.57 0.00 0.00 175.55 173.37 1dcj s ARG 74 N -5.02 0.68 -0.22 -0.62 0.52 -0.61 -0.61 118.95 113.07 1dcj s ARG 74 Ca 0.62 -0.45 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 1dcj s ARG 74 Cb -0.16 0.29 0.09 0.00 0.52 0.00 0.00 34.95 35.69 1dcj s ARG 74 CO 0.56 -0.20 0.49 0.71 0.02 0.00 0.00 175.30 176.88 1dcj s TYR 75 N -2.06 -0.89 0.27 -0.53 2.02 -0.21 0.20 117.35 116.15 1dcj s TYR 75 Ca -0.09 1.70 -0.12 0.00 -0.37 0.00 0.00 57.07 58.19 1dcj s TYR 75 Cb -0.03 0.43 -0.08 0.00 -0.40 0.00 0.00 41.96 41.88 1dcj s TYR 75 CO -0.01 -0.50 0.63 -1.17 -1.57 0.00 0.00 175.55 172.93 1dcj s LEU 76 N 2.32 4.12 -0.20 -1.29 2.96 0.21 -2.06 118.68 124.74 1dcj s LEU 76 Ca -0.05 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.89 1dcj s LEU 76 Cb -0.11 -3.85 0.09 0.00 0.50 0.00 0.00 46.19 42.82 1dcj s LEU 76 CO -0.15 -0.13 0.18 -0.63 -1.32 0.00 0.00 176.35 174.31 1dcj s ILE 77 N -1.89 -0.25 -0.28 6.68 1.01 -0.16 -0.03 121.20 126.28 1dcj s ILE 77 Ca 0.50 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1dcj s ILE 77 Cb -0.11 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1dcj s ILE 77 CO 0.20 -0.26 1.48 -0.60 0.00 0.00 0.00 174.94 175.76 1dcj s ARG 78 N 2.27 3.78 -0.32 2.79 3.52 0.94 -2.18 118.95 129.75 1dcj s ARG 78 Ca 0.06 1.40 -0.27 0.00 -0.13 0.00 0.00 55.73 56.78 1dcj s ARG 78 Cb -0.16 -3.99 -0.06 0.00 -1.56 0.00 0.00 34.95 29.19 1dcj s ARG 78 CO -0.13 -1.30 2.30 1.17 -0.81 0.00 0.00 175.30 176.53 1dcj n LYS 79 N 7.63 1.60 0.00 5.12 3.00 -0.74 -1.50 118.16 133.27 1dcj n LYS 79 Ca 0.17 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1dcj n LYS 79 Cb 0.46 -3.30 0.00 0.00 0.00 0.00 0.00 35.03 32.19 1dcj n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dcj n GLY 80 N 5.89 1.75 0.00 3.14 0.00 -1.26 -0.43 105.19 114.28 1dcj n GLY 80 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93