#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcj n THR 2 N 0.00 1.64 -3.82 2.03 -2.24 -1.26 -4.94 114.28 105.69 1dcj n THR 2 Ca 0.00 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 1dcj n THR 2 Cb 0.00 -1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 66.74 1dcj n THR 2 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1dcj s ASP 3 N -0.19 5.16 0.00 3.42 1.47 -1.26 -4.91 116.67 120.36 1dcj s ASP 3 Ca 0.61 -2.02 0.15 0.00 1.18 0.00 0.00 52.55 52.47 1dcj s ASP 3 Cb -0.64 -1.79 0.72 0.00 -0.34 0.00 0.00 42.92 40.87 1dcj s ASP 3 CO 0.58 -0.50 1.41 0.18 0.68 0.00 0.00 175.17 177.51 1dcj n LEU 4 N 4.54 0.00 -0.76 2.11 4.77 -1.26 -2.35 117.00 124.05 1dcj n LEU 4 Ca -0.02 0.31 0.02 0.00 -0.03 0.00 0.00 56.01 56.30 1dcj n LEU 4 Cb 0.42 -0.31 0.11 0.00 -2.33 0.00 0.00 43.42 41.30 1dcj n LEU 4 CO 0.31 -0.16 0.46 0.49 -1.33 0.00 0.00 177.39 177.16 1dcj n PHE 5 N -1.31 0.51 -0.76 -1.77 3.01 -1.26 -4.84 117.46 111.03 1dcj n PHE 5 Ca 0.06 -0.19 -0.21 0.00 1.01 0.00 0.00 57.45 58.13 1dcj n PHE 5 Cb 0.12 -0.16 0.07 0.00 -0.01 0.00 0.00 39.48 39.50 1dcj n PHE 5 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1dcj n SER 6 N 0.16 -2.62 -4.45 4.37 2.88 -0.99 -4.34 113.62 108.62 1dcj n SER 6 Ca 0.08 -0.11 -0.46 0.00 -1.33 0.00 0.00 58.87 57.04 1dcj n SER 6 Cb 0.43 -0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 63.16 1dcj n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dcj n SER 7 N 1.48 1.20 -4.80 -3.46 3.41 -1.26 -4.87 113.62 105.32 1dcj n SER 7 Ca 0.01 0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.53 1dcj n SER 7 Cb 0.42 -1.12 0.11 0.00 -0.26 0.00 0.00 64.21 63.35 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 7.64 1.66 0.30 4.33 0.04 -1.26 -4.97 135.00 142.74 1dcj s PRO 8 Ca 1.20 0.47 0.17 0.00 0.04 0.00 0.00 61.00 62.88 1dcj s PRO 8 Cb -1.01 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 31.76 1dcj s PRO 8 CO 0.48 -1.88 1.44 -0.44 0.04 0.00 0.00 177.00 176.64 1dcj h ASP 9 N -1.27 0.00 -5.58 6.66 3.32 -1.73 -3.47 116.42 114.34 1dcj h ASP 9 Ca -0.49 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.28 1dcj h ASP 9 Cb 1.30 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.74 1dcj h ASP 9 CO 0.61 0.38 -0.33 -1.00 -1.72 0.00 0.00 179.24 177.17 1dcj s HIS 10 N -3.02 1.15 0.11 4.55 3.76 -0.43 -4.96 115.29 116.44 1dcj s HIS 10 Ca 0.04 -1.32 -0.07 0.00 -0.15 0.00 0.00 55.06 53.56 1dcj s HIS 10 Cb 0.07 -0.28 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 1dcj s HIS 10 CO 0.73 -0.96 0.18 0.99 -0.85 0.00 0.00 174.74 174.83 1dcj s THR 11 N -3.49 0.13 -0.23 1.30 2.01 -1.26 -1.14 115.64 112.96 1dcj s THR 11 Ca 0.33 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 1dcj s THR 11 Cb 0.02 -1.55 0.12 0.00 0.01 0.00 0.00 72.50 71.09 1dcj s THR 11 CO 0.19 -0.59 0.30 -0.22 -0.69 0.00 0.00 174.62 173.61 1dcj s LEU 12 N -2.91 -0.36 0.16 4.42 2.96 0.15 -4.85 118.68 118.24 1dcj s LEU 12 Ca 0.10 -0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 53.61 1dcj s LEU 12 Cb 0.05 0.72 -0.07 0.00 0.50 0.00 0.00 46.19 47.39 1dcj s LEU 12 CO -0.07 -0.32 1.12 -0.62 -1.32 0.00 0.00 176.35 175.14 1dcj s ASP 13 N 2.43 7.22 -0.00 3.68 2.15 -1.26 -0.85 116.67 130.04 1dcj s ASP 13 Ca 0.10 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.16 1dcj s ASP 13 Cb -0.15 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1dcj s ASP 13 CO -0.16 -0.27 0.89 0.00 -0.17 0.00 0.00 175.17 175.45 1dcj n ALA 14 N 2.66 1.78 -2.59 3.66 0.00 0.35 -4.85 120.51 121.51 1dcj n ALA 14 Ca 0.04 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 1dcj n ALA 14 Cb 0.46 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.03 3.56 0.00 0.00 1.43 -1.25 -1.63 118.68 120.75 1dcj s LEU 15 Ca 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1dcj s LEU 15 Cb 0.00 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1dcj s LEU 15 CO 0.00 -1.45 0.00 0.61 0.23 0.00 0.00 176.35 175.74 1dcj n GLY 16 N 5.08 0.31 3.89 -3.19 0.00 -1.26 -4.83 105.19 105.19 1dcj n GLY 16 Ca 0.07 0.00 -0.33 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 4.29 -0.00 0.99 1.43 -0.65 -4.98 118.68 119.76 1dcj s LEU 17 Ca 0.00 0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1dcj s LEU 17 Cb 0.00 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 1dcj s LEU 17 CO 0.00 0.09 0.09 0.00 0.23 0.00 0.00 176.35 176.76 1dcj s ARG 18 N -2.38 0.34 0.31 1.70 1.70 -1.26 -4.11 118.95 115.25 1dcj s ARG 18 Ca 0.38 -0.30 -0.26 0.00 -0.47 0.00 0.00 55.73 55.08 1dcj s ARG 18 Cb -0.13 0.14 -0.14 0.00 -0.57 0.00 0.00 34.95 34.25 1dcj s ARG 18 CO 0.22 -0.07 0.79 0.00 -1.08 0.00 0.00 175.30 175.15 1dcj n PRO 20 N 0.72 1.64 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.96 1dcj n PRO 20 Ca 0.12 -0.95 -0.01 0.00 -0.04 0.00 0.00 63.50 62.62 1dcj n PRO 20 Cb 0.33 -1.40 0.08 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 0.26 0.38 0.54 5.08 -0.78 0.48 114.58 122.52 1dcj h GLU 21 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1dcj h GLU 21 Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1dcj h GLU 21 CO 0.00 0.17 -0.18 -1.00 -1.00 0.00 0.00 179.01 177.00 1dcj h PRO 22 N 0.27 -0.49 -0.87 2.33 0.13 -1.87 -0.59 132.00 130.92 1dcj h PRO 22 Ca 0.28 0.03 0.25 0.00 -0.87 0.00 0.00 66.00 65.69 1dcj h PRO 22 Cb 0.38 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 1dcj h PRO 22 CO -0.34 -0.33 0.85 0.28 -0.23 0.00 0.00 178.00 178.24 1dcj h VAL 23 N -0.84 0.22 -0.06 1.56 2.07 -1.87 0.69 116.25 118.02 1dcj h VAL 23 Ca -0.05 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 1dcj h VAL 23 Cb 0.39 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1dcj h VAL 23 CO 0.09 0.00 -0.68 0.24 0.02 0.00 0.00 177.57 177.23 1dcj h MET 24 N 0.00 0.57 -0.66 1.57 2.86 0.49 -2.71 114.93 117.05 1dcj h MET 24 Ca 0.41 -0.53 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1dcj h MET 24 Cb 2.12 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 33.88 1dcj h MET 24 CO -0.00 1.16 0.40 0.52 1.06 0.00 0.00 176.91 180.04 1dcj h MET 25 N 0.18 0.90 0.00 1.72 2.86 0.20 -0.30 114.93 120.49 1dcj h MET 25 Ca -0.07 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1dcj h MET 25 Cb 1.34 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1dcj h MET 25 CO 0.14 0.64 -0.14 0.28 1.06 0.00 0.00 176.91 178.89 1dcj h VAL 26 N 0.90 0.98 0.46 -2.22 2.07 -1.42 -0.42 116.25 116.60 1dcj h VAL 26 Ca 0.24 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1dcj h VAL 26 Cb -0.03 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1dcj h VAL 26 CO -0.04 0.14 -0.22 0.03 0.02 0.00 0.00 177.57 177.50 1dcj h ARG 27 N 0.00 -0.59 -0.65 1.57 2.47 -0.75 0.76 114.38 117.20 1dcj h ARG 27 Ca -0.00 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.83 1dcj h ARG 27 Cb 0.27 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1dcj h ARG 27 CO 0.02 -0.30 0.43 0.87 0.56 0.00 0.00 179.97 181.55 1dcj h LYS 28 N -1.04 0.61 -0.11 0.04 1.57 -1.16 0.75 116.57 117.21 1dcj h LYS 28 Ca -0.06 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1dcj h LYS 28 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1dcj h LYS 28 CO 0.10 0.40 -0.53 1.15 -0.57 0.00 0.00 179.45 180.01 1dcj h THR 29 N 0.62 1.35 0.00 -0.16 2.02 -0.99 0.50 112.91 116.25 1dcj h THR 29 Ca 0.28 -1.79 -0.08 0.00 0.77 0.00 0.00 66.41 65.60 1dcj h THR 29 Cb 0.31 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1dcj h THR 29 CO -0.09 0.54 -0.36 0.58 0.37 0.00 0.00 175.52 176.56 1dcj h VAL 30 N 0.25 0.96 0.02 3.16 2.07 0.57 1.07 116.25 124.34 1dcj h VAL 30 Ca 0.01 -1.39 -0.21 0.00 0.82 0.00 0.00 66.70 65.92 1dcj h VAL 30 Cb 1.01 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1dcj h VAL 30 CO 0.09 0.35 -0.96 0.03 0.02 0.00 0.00 177.57 177.10 1dcj h ARG 31 N 0.00 0.10 -0.36 1.57 3.08 0.13 -3.13 114.38 115.77 1dcj h ARG 31 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1dcj h ARG 31 Cb 0.80 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1dcj h ARG 31 CO 0.05 0.98 0.00 0.27 -1.07 0.00 0.00 179.97 180.20 1dcj n ASN 32 N -3.51 3.40 -4.93 7.04 0.23 0.06 -4.95 115.26 112.60 1dcj n ASN 32 Ca -0.02 -1.98 -0.20 0.00 -0.53 0.00 0.00 54.58 51.84 1dcj n ASN 32 Cb 0.88 -0.23 0.05 0.00 -2.08 0.00 0.00 39.78 38.40 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 -1.49 2.38 0.09 -3.83 -1.94 0.36 -5.02 119.30 109.85 1dcj s MET 33 Ca 0.37 -1.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1dcj s MET 33 Cb 0.22 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 1dcj s MET 33 CO 0.31 -0.80 -0.12 -0.65 -0.01 0.00 0.00 175.02 173.75 1dcj s GLN 34 N -4.73 0.85 -0.04 2.03 -1.52 -1.26 -4.95 119.66 110.04 1dcj s GLN 34 Ca 0.60 -1.09 -0.30 0.00 -1.95 0.00 0.00 55.36 52.61 1dcj s GLN 34 Cb -0.08 -0.67 -0.05 0.00 -0.22 0.00 0.00 33.01 31.99 1dcj s GLN 34 CO 0.39 0.13 1.41 -1.25 -0.25 0.00 0.00 175.29 175.71 1dcj s PRO 35 N -2.39 4.26 0.00 2.91 0.04 -1.25 -2.57 135.00 136.00 1dcj s PRO 35 Ca 0.03 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1dcj s PRO 35 Cb -0.06 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1dcj s PRO 35 CO 0.01 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1dcj n GLY 36 N 3.71 1.25 2.05 0.56 0.00 0.34 -4.94 105.19 108.18 1dcj n GLY 36 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.49 1.28 -4.10 1.61 1.02 -1.06 -4.97 120.64 112.93 1dcj n GLU 37 Ca 0.00 -2.09 -0.10 0.00 -0.02 0.00 0.00 57.16 54.95 1dcj n GLU 37 Cb 0.00 0.59 -0.10 0.00 -0.02 0.00 0.00 31.44 31.90 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 -2.06 0.45 -0.14 2.62 -4.23 -1.26 -1.77 115.64 109.25 1dcj s THR 38 Ca 0.01 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1dcj s THR 38 Cb 0.00 -1.21 0.07 0.00 1.34 0.00 0.00 72.50 72.70 1dcj s THR 38 CO 0.00 -0.75 0.23 -0.22 -0.54 0.00 0.00 174.62 173.35 1dcj s LEU 39 N -2.47 -0.22 0.28 4.79 2.96 -0.85 -1.31 118.68 121.85 1dcj s LEU 39 Ca 0.02 0.34 -0.16 0.00 -0.22 0.00 0.00 54.13 54.11 1dcj s LEU 39 Cb 0.01 0.55 -0.09 0.00 0.50 0.00 0.00 46.19 47.16 1dcj s LEU 39 CO -0.05 -0.26 0.72 -0.22 -1.32 0.00 0.00 176.35 175.22 1dcj s LEU 40 N 2.38 4.18 -0.09 -0.68 2.96 -0.29 -0.78 118.68 126.35 1dcj s LEU 40 Ca 0.03 1.31 -0.04 0.00 -0.22 0.00 0.00 54.13 55.22 1dcj s LEU 40 Cb -0.13 -3.86 0.05 0.00 0.50 0.00 0.00 46.19 42.75 1dcj s LEU 40 CO -0.09 -0.10 0.18 -0.63 -1.32 0.00 0.00 176.35 174.39 1dcj s ILE 41 N -1.79 -0.27 0.36 6.68 1.01 -0.78 0.30 121.20 126.71 1dcj s ILE 41 Ca 0.49 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.50 1dcj s ILE 41 Cb -0.13 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1dcj s ILE 41 CO 0.19 0.13 0.52 -0.63 0.00 0.00 0.00 174.94 175.16 1dcj s ILE 42 N 2.18 4.31 -0.29 2.92 1.01 -0.03 -0.93 121.20 130.37 1dcj s ILE 42 Ca 0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1dcj s ILE 42 Cb -0.12 -3.54 0.12 0.00 0.01 0.00 0.00 42.46 38.93 1dcj s ILE 42 CO -0.06 -0.27 0.78 0.00 0.00 0.00 0.00 174.94 175.39 1dcj s ALA 43 N -2.28 -2.10 -0.09 9.38 0.00 0.39 -0.50 121.76 126.57 1dcj s ALA 43 Ca 0.44 2.32 0.16 0.00 0.00 0.00 0.00 51.96 54.88 1dcj s ALA 43 Cb -0.10 -1.64 -0.24 0.00 0.00 0.00 0.00 23.12 21.14 1dcj s ALA 43 CO 0.33 -0.56 0.24 -0.40 0.00 0.00 0.00 175.76 175.38 1dcj n ASP 44 N 4.50 0.91 -4.77 0.00 5.68 -0.99 -0.19 116.55 121.70 1dcj n ASP 44 Ca -0.17 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.72 1dcj n ASP 44 Cb 0.56 1.40 0.02 0.00 -1.14 0.00 0.00 41.12 41.96 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 -4.51 5.91 0.43 -1.12 2.15 -1.23 -4.87 116.67 113.44 1dcj s ASP 45 Ca -0.07 2.94 0.26 0.00 0.43 0.00 0.00 52.55 56.11 1dcj s ASP 45 Cb 0.08 -2.66 0.63 0.00 -0.30 0.00 0.00 42.92 40.68 1dcj s ASP 45 CO 0.71 -1.15 1.71 1.55 -0.17 0.00 0.00 175.17 177.82 1dcj h PRO 46 N 2.39 0.00 -0.01 4.34 0.13 -1.91 -3.06 132.00 133.88 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1dcj h PRO 46 CO 0.61 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.05 2.80 0.02 -0.56 0.00 -1.26 -4.02 120.51 115.45 1dcj n ALA 47 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1dcj n ALA 47 Cb 0.46 -1.18 -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 1.67 0.92 -0.59 0.00 1.35 -1.85 -0.81 112.91 113.60 1dcj h THR 48 Ca 0.00 -2.41 0.13 0.00 -0.55 0.00 0.00 66.41 63.58 1dcj h THR 48 Cb 0.48 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.53 1dcj h THR 48 CO 0.00 0.77 0.41 0.71 -0.25 0.00 0.00 175.52 177.15 1dcj h THR 49 N -0.15 0.80 0.03 6.82 1.35 -1.70 0.10 112.91 120.16 1dcj h THR 49 Ca -0.34 -0.07 -0.37 0.00 -0.55 0.00 0.00 66.41 65.08 1dcj h THR 49 Cb 1.88 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.82 1dcj h THR 49 CO 0.09 0.04 -2.26 0.54 -0.25 0.00 0.00 175.52 173.67 1dcj n ARG 50 N -4.43 0.68 -0.06 4.72 5.12 -1.25 -4.44 116.66 117.01 1dcj n ARG 50 Ca 0.11 0.17 -0.21 0.00 -1.93 0.00 0.00 57.85 55.98 1dcj n ARG 50 Cb 0.51 -1.60 -0.13 0.00 -1.16 0.00 0.00 32.46 30.09 1dcj n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1dcj h ASP 51 N 0.02 0.17 -0.30 0.55 3.32 -0.83 -2.94 116.42 116.40 1dcj h ASP 51 Ca -0.51 -0.70 0.07 0.00 0.02 0.00 0.00 57.03 55.92 1dcj h ASP 51 Cb 2.01 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 41.43 1dcj h ASP 51 CO -0.01 1.58 -0.16 0.40 -1.72 0.00 0.00 179.24 179.33 1dcj h ILE 52 N -0.63 0.52 0.01 0.35 2.04 -0.94 0.11 117.51 118.97 1dcj h ILE 52 Ca -0.34 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1dcj h ILE 52 Cb 1.54 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1dcj h ILE 52 CO -0.08 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.61 1dcj h PRO 53 N -0.12 -0.01 -0.45 2.37 0.13 -1.76 -2.42 132.00 129.73 1dcj h PRO 53 Ca 0.16 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.42 1dcj h PRO 53 Cb 0.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1dcj h PRO 53 CO -0.38 0.57 0.62 0.78 -0.23 0.00 0.00 178.00 179.36 1dcj h GLY 54 N -0.61 0.00 0.17 1.56 0.00 -1.31 0.19 103.07 103.08 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 0.00 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.76 1dcj h PHE 55 N 0.00 -0.07 -0.81 5.60 3.57 -0.36 -2.96 116.94 121.90 1dcj h PHE 55 Ca 0.21 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.80 1dcj h PHE 55 Cb 1.45 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.15 1dcj h PHE 55 CO 0.00 0.50 0.53 0.00 -2.23 0.00 0.00 178.31 177.11 1dcj h THR 57 N 0.79 1.24 -0.00 0.00 2.02 -1.23 0.10 112.91 115.83 1dcj h THR 57 Ca 0.37 -1.15 -0.16 0.00 0.77 0.00 0.00 66.41 66.24 1dcj h THR 57 Cb 0.40 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1dcj h THR 57 CO -0.14 0.35 -0.77 0.15 0.37 0.00 0.00 175.52 175.48 1dcj h PHE 58 N 0.27 0.03 -0.11 3.16 3.04 -0.90 -3.11 116.94 119.32 1dcj h PHE 58 Ca 0.04 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1dcj h PHE 58 Cb 0.59 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1dcj h PHE 58 CO 0.01 0.78 0.00 -1.33 -2.02 0.00 0.00 178.31 175.75 1dcj n MET 59 N -3.64 1.44 -1.03 1.11 2.81 -0.90 -4.87 117.12 112.05 1dcj n MET 59 Ca -0.01 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 1dcj n MET 59 Cb 0.74 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.92 1dcj n MET 59 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1dcj n GLU 60 N -0.10 0.00 -2.83 0.03 2.13 -1.18 -4.81 120.64 113.88 1dcj n GLU 60 Ca 0.14 0.25 -0.20 0.00 0.66 0.00 0.00 57.16 58.01 1dcj n GLU 60 Cb 0.22 -2.90 0.05 0.00 0.27 0.00 0.00 31.44 29.08 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1dcj s HIS 61 N -2.00 2.15 -0.01 4.31 3.76 0.00 -3.49 115.29 120.01 1dcj s HIS 61 Ca 0.00 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1dcj s HIS 61 Cb 0.00 -2.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 1dcj s HIS 61 CO 0.00 -1.04 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.42 1dcj s GLU 62 N -4.72 1.79 -0.66 1.40 0.41 -0.62 -4.37 118.70 111.91 1dcj s GLU 62 Ca 0.60 -0.80 -0.25 0.00 -0.41 0.00 0.00 54.97 54.11 1dcj s GLU 62 Cb -0.08 -1.74 0.05 0.00 -1.78 0.00 0.00 34.13 30.58 1dcj s GLU 62 CO 0.39 0.48 1.09 -1.17 -0.49 0.00 0.00 175.26 175.56 1dcj s LEU 63 N -0.54 3.81 -0.02 1.80 2.96 -1.26 0.59 118.68 126.01 1dcj s LEU 63 Ca 0.09 -0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 53.16 1dcj s LEU 63 Cb -0.09 -2.61 -0.20 0.00 0.50 0.00 0.00 46.19 43.79 1dcj s LEU 63 CO -0.01 -1.55 1.21 0.58 -1.32 0.00 0.00 176.35 175.27 1dcj h VAL 64 N 6.02 1.43 -2.97 1.68 2.07 -0.64 -3.46 116.25 120.38 1dcj h VAL 64 Ca -0.28 -1.38 -0.18 0.00 0.82 0.00 0.00 66.70 65.68 1dcj h VAL 64 Cb 1.06 2.28 -0.29 0.00 -1.52 0.00 0.00 31.29 32.82 1dcj h VAL 64 CO 1.20 0.37 -0.46 0.00 0.02 0.00 0.00 177.57 178.71 1dcj s ALA 65 N -3.96 -0.63 0.27 1.67 0.00 -1.17 -4.90 121.76 113.05 1dcj s ALA 65 Ca -0.16 1.08 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1dcj s ALA 65 Cb 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1dcj s ALA 65 CO 0.70 -0.21 0.41 0.15 0.00 0.00 0.00 175.76 176.81 1dcj s LYS 66 N 1.27 3.37 -0.15 0.00 3.01 -1.26 0.74 119.74 126.71 1dcj s LYS 66 Ca -0.09 -0.77 -0.04 0.00 -1.01 0.00 0.00 55.97 54.05 1dcj s LYS 66 Cb -0.10 -2.85 0.06 0.00 -1.01 0.00 0.00 37.83 33.93 1dcj s LYS 66 CO -0.09 0.31 0.08 -1.21 0.51 0.00 0.00 175.35 174.95 1dcj s GLU 67 N -4.06 0.13 -0.11 1.68 2.02 0.51 -4.89 118.70 113.99 1dcj s GLU 67 Ca 0.37 -0.06 0.22 0.00 0.02 0.00 0.00 54.97 55.53 1dcj s GLU 67 Cb -0.09 -1.68 0.45 0.00 0.10 0.00 0.00 34.13 32.91 1dcj s GLU 67 CO 0.30 -0.62 1.16 0.25 0.02 0.00 0.00 175.26 176.38 1dcj n THR 68 N 5.25 0.72 1.86 3.63 -2.24 -1.26 -1.52 114.28 120.71 1dcj n THR 68 Ca -0.07 -1.92 0.08 0.00 -2.27 0.00 0.00 64.05 59.87 1dcj n THR 68 Cb 0.49 0.81 0.45 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.03 0.00 0.00 3.42 8.00 -1.26 -4.85 116.55 121.83 1dcj n ASP 69 Ca 0.10 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1dcj n ASP 69 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 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 0.64 3.99 2.53 0.44 0.00 -1.26 -5.09 105.19 106.44 1dcj n GLY 70 Ca 0.11 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.04 -4.82 0.99 4.77 -1.26 -4.45 117.00 110.20 1dcj n LEU 71 Ca 0.00 0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 56.29 1dcj n LEU 71 Cb 0.00 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1dcj n LEU 71 CO 0.00 -3.09 0.56 -2.16 -1.33 0.00 0.00 177.39 171.37 1dcj s PRO 72 N -0.76 4.25 0.81 3.23 0.04 -1.26 -5.13 135.00 136.17 1dcj s PRO 72 Ca 0.46 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1dcj s PRO 72 Cb -0.52 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 31.64 1dcj s PRO 72 CO 0.47 0.13 1.09 0.71 0.04 0.00 0.00 177.00 179.44 1dcj s TYR 73 N -1.93 2.66 0.01 0.56 2.02 0.73 -4.73 117.35 116.67 1dcj s TYR 73 Ca 0.55 1.31 -0.09 0.00 -0.37 0.00 0.00 57.07 58.47 1dcj s TYR 73 Cb -0.12 -3.08 0.01 0.00 -0.40 0.00 0.00 41.96 38.36 1dcj s TYR 73 CO 0.17 -1.89 0.18 1.03 -1.57 0.00 0.00 175.55 173.48 1dcj s ARG 74 N -5.01 0.57 -0.18 -0.62 0.52 -0.58 -0.46 118.95 113.19 1dcj s ARG 74 Ca 0.61 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 55.32 1dcj s ARG 74 Cb -0.16 0.24 0.08 0.00 0.52 0.00 0.00 34.95 35.63 1dcj s ARG 74 CO 0.56 -0.15 0.40 0.71 0.02 0.00 0.00 175.30 176.84 1dcj s TYR 75 N -1.68 -0.68 0.31 -0.53 2.02 -0.10 0.19 117.35 116.87 1dcj s TYR 75 Ca -0.12 1.38 -0.11 0.00 -0.37 0.00 0.00 57.07 57.85 1dcj s TYR 75 Cb -0.05 0.26 -0.07 0.00 -0.40 0.00 0.00 41.96 41.69 1dcj s TYR 75 CO 0.01 -0.41 0.66 -1.17 -1.57 0.00 0.00 175.55 173.07 1dcj s LEU 76 N 2.09 4.04 -0.21 -1.29 2.96 0.23 -1.86 118.68 124.63 1dcj s LEU 76 Ca -0.05 1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1dcj s LEU 76 Cb -0.10 -3.87 0.09 0.00 0.50 0.00 0.00 46.19 42.81 1dcj s LEU 76 CO -0.12 -0.21 0.20 -0.63 -1.32 0.00 0.00 176.35 174.26 1dcj s ILE 77 N -2.04 -0.28 -0.38 6.68 1.01 0.04 0.11 121.20 126.34 1dcj s ILE 77 Ca 0.50 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1dcj s ILE 77 Cb -0.11 -0.70 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 1dcj s ILE 77 CO 0.24 -0.26 1.59 -0.60 0.00 0.00 0.00 174.94 175.90 1dcj s ARG 78 N 2.28 3.46 0.20 2.79 3.52 0.20 -2.01 118.95 129.40 1dcj s ARG 78 Ca 0.06 1.15 -0.32 0.00 -0.13 0.00 0.00 55.73 56.50 1dcj s ARG 78 Cb -0.16 -4.10 -0.12 0.00 -1.56 0.00 0.00 34.95 29.01 1dcj s ARG 78 CO -0.14 -1.70 1.74 1.17 -0.81 0.00 0.00 175.30 175.56 1dcj n LYS 79 N 8.24 2.80 -2.18 5.12 0.00 -0.73 -1.60 118.16 129.82 1dcj n LYS 79 Ca 0.19 1.01 -0.04 0.00 0.00 0.00 0.00 58.31 59.48 1dcj n LYS 79 Cb 0.47 -2.86 -0.01 0.00 0.00 0.00 0.00 35.03 32.63 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 4.01 3.03 0.00 3.14 0.00 -1.26 -0.50 105.19 113.61 1dcj n GLY 80 Ca 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93