#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 4.26 0.21 3.17 -4.23 -1.26 -5.07 115.64 112.73 1dcj s THR 2 Ca 0.00 -0.19 -0.31 0.00 -1.18 0.00 0.00 61.69 60.01 1dcj s THR 2 Cb 0.00 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.76 1dcj s THR 2 CO 0.00 0.35 1.46 1.51 -0.54 0.00 0.00 174.62 177.40 1dcj s ASP 3 N 1.55 6.67 0.35 3.99 -4.77 -1.26 -4.88 116.67 118.32 1dcj s ASP 3 Ca 0.06 2.59 0.25 0.00 -3.30 0.00 0.00 52.55 52.16 1dcj s ASP 3 Cb -0.15 -2.61 0.66 0.00 -1.09 0.00 0.00 42.92 39.73 1dcj s ASP 3 CO 0.03 -0.71 1.72 -0.07 0.70 0.00 0.00 175.17 176.83 1dcj h LEU 4 N 5.70 0.00 -1.52 2.11 3.38 -1.97 -3.04 115.31 119.97 1dcj h LEU 4 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1dcj h LEU 4 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1dcj h LEU 4 CO 0.82 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.84 1dcj n PHE 5 N -2.71 0.57 -0.71 1.13 3.01 -1.26 -4.82 117.46 112.67 1dcj n PHE 5 Ca 0.04 -0.22 -0.23 0.00 1.01 0.00 0.00 57.45 58.05 1dcj n PHE 5 Cb 0.45 -0.15 0.10 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.22 -2.69 -4.45 4.37 2.88 -1.15 -4.38 113.62 108.42 1dcj n SER 6 Ca 0.09 -0.17 -0.46 0.00 -1.33 0.00 0.00 58.87 57.00 1dcj n SER 6 Cb 0.44 -0.70 -0.10 0.00 -0.75 0.00 0.00 64.21 63.10 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 0.55 1.31 -4.80 -3.46 3.41 -1.26 -4.87 113.62 104.50 1dcj n SER 7 Ca 0.02 0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.52 1dcj n SER 7 Cb 0.45 -1.15 0.10 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 7.56 1.90 0.36 4.33 0.04 -1.26 -4.97 135.00 142.97 1dcj s PRO 8 Ca 1.18 0.56 0.19 0.00 0.04 0.00 0.00 61.00 62.98 1dcj s PRO 8 Cb -0.96 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 31.93 1dcj s PRO 8 CO 0.47 -1.73 1.55 -0.44 0.04 0.00 0.00 177.00 176.88 1dcj h ASP 9 N -1.17 0.00 -5.51 6.66 3.32 -1.73 -3.47 116.42 114.52 1dcj h ASP 9 Ca -0.48 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.35 1dcj h ASP 9 Cb 1.28 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.72 1dcj h ASP 9 CO 0.60 0.27 -0.32 -1.00 -1.72 0.00 0.00 179.24 177.07 1dcj s HIS 10 N -3.12 0.98 0.10 4.55 3.76 -0.58 -4.97 115.29 116.01 1dcj s HIS 10 Ca 0.05 -1.20 -0.07 0.00 -0.15 0.00 0.00 55.06 53.68 1dcj s HIS 10 Cb 0.07 -0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.54 1dcj s HIS 10 CO 0.70 -0.93 0.17 0.99 -0.85 0.00 0.00 174.74 174.82 1dcj s THR 11 N -3.66 0.13 -0.23 1.30 2.01 -1.26 -1.12 115.64 112.81 1dcj s THR 11 Ca 0.32 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 1dcj s THR 11 Cb 0.02 -1.53 0.11 0.00 0.01 0.00 0.00 72.50 71.11 1dcj s THR 11 CO 0.16 -0.61 0.26 -0.22 -0.69 0.00 0.00 174.62 173.52 1dcj s LEU 12 N -2.91 -0.19 0.17 4.42 2.96 0.11 -4.87 118.68 118.37 1dcj s LEU 12 Ca 0.09 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.39 1dcj s LEU 12 Cb 0.05 0.49 -0.08 0.00 0.50 0.00 0.00 46.19 47.16 1dcj s LEU 12 CO -0.07 -0.34 1.15 -0.62 -1.32 0.00 0.00 176.35 175.14 1dcj s ASP 13 N 2.36 7.18 0.00 3.68 2.15 -1.26 -0.86 116.67 129.91 1dcj s ASP 13 Ca 0.08 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.20 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 -0.18 -0.30 0.87 0.00 -0.17 0.00 0.00 175.17 175.39 1dcj n ALA 14 N 2.57 1.77 -2.47 3.66 0.00 0.65 -4.85 120.51 121.83 1dcj n ALA 14 Ca 0.04 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 1dcj n ALA 14 Cb 0.46 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 3.60 0.00 0.00 1.43 -1.25 -1.50 118.68 120.96 1dcj s LEU 15 Ca 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1dcj s LEU 15 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1dcj s LEU 15 CO 0.00 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 175.83 1dcj n GLY 16 N 4.98 0.79 3.89 -3.19 0.00 -1.26 -4.81 105.19 105.59 1dcj n GLY 16 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 4.27 0.00 0.99 1.43 -0.56 -4.96 118.68 119.85 1dcj s LEU 17 Ca 0.00 0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1dcj s LEU 17 Cb 0.00 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1dcj s LEU 17 CO 0.00 0.06 0.07 0.00 0.23 0.00 0.00 176.35 176.72 1dcj s ARG 18 N -2.51 0.38 0.30 1.70 1.70 -1.26 -4.08 118.95 115.18 1dcj s ARG 18 Ca 0.40 -0.41 -0.27 0.00 -0.47 0.00 0.00 55.73 54.99 1dcj s ARG 18 Cb -0.12 0.15 -0.14 0.00 -0.57 0.00 0.00 34.95 34.27 1dcj s ARG 18 CO 0.23 -0.08 0.80 0.00 -1.08 0.00 0.00 175.30 175.17 1dcj n PRO 20 N 0.72 1.64 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.97 1dcj n PRO 20 Ca 0.12 -0.96 -0.01 0.00 -0.04 0.00 0.00 63.50 62.61 1dcj n PRO 20 Cb 0.32 -1.40 0.09 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 2.00 0.26 0.33 0.54 5.08 -0.75 0.59 114.58 122.62 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 0.44 -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 -0.16 -1.00 -1.00 0.00 0.00 179.01 177.02 1dcj h PRO 22 N 0.26 -0.42 -0.71 2.33 0.13 -1.87 -1.78 132.00 129.94 1dcj h PRO 22 Ca 0.28 0.03 0.21 0.00 -0.87 0.00 0.00 66.00 65.65 1dcj h PRO 22 Cb 0.39 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1dcj h PRO 22 CO -0.36 -0.28 0.80 0.28 -0.23 0.00 0.00 178.00 178.21 1dcj h VAL 23 N -0.75 0.20 -0.14 1.56 2.07 -1.87 0.50 116.25 117.81 1dcj h VAL 23 Ca -0.04 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1dcj h VAL 23 Cb 0.34 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1dcj h VAL 23 CO 0.07 0.00 -0.39 0.24 0.02 0.00 0.00 177.57 177.51 1dcj h MET 24 N 0.00 0.51 -0.63 1.57 2.86 0.64 -2.63 114.93 117.24 1dcj h MET 24 Ca 0.34 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1dcj h MET 24 Cb 1.94 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.62 1dcj h MET 24 CO -0.00 0.98 0.40 0.52 1.06 0.00 0.00 176.91 179.87 1dcj h MET 25 N 0.12 0.77 0.00 1.72 2.86 0.85 -0.24 114.93 121.02 1dcj h MET 25 Ca -0.01 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1dcj h MET 25 Cb 1.01 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1dcj h MET 25 CO 0.08 0.51 -0.13 0.28 1.06 0.00 0.00 176.91 178.71 1dcj h VAL 26 N 0.79 0.77 -0.10 -2.22 2.07 -1.47 -0.63 116.25 115.46 1dcj h VAL 26 Ca 0.25 -0.50 -0.20 0.00 0.82 0.00 0.00 66.70 67.08 1dcj h VAL 26 Cb -0.01 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1dcj h VAL 26 CO -0.09 0.12 -0.75 0.03 0.02 0.00 0.00 177.57 176.90 1dcj h ARG 27 N 0.00 0.54 0.00 1.57 2.47 -0.67 0.84 114.38 119.13 1dcj h ARG 27 Ca -0.00 -0.44 -0.20 0.00 -1.26 0.00 0.00 59.98 58.08 1dcj h ARG 27 Cb 0.28 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 1dcj h ARG 27 CO 0.02 1.07 -0.96 0.87 0.56 0.00 0.00 179.97 181.52 1dcj h LYS 28 N 0.36 0.00 0.08 0.04 1.79 -0.96 0.14 116.57 118.03 1dcj h LYS 28 Ca -0.04 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.16 1dcj h LYS 28 Cb 1.34 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1dcj h LYS 28 CO 0.14 0.96 -1.14 1.15 -1.08 0.00 0.00 179.45 179.48 1dcj h THR 29 N 0.00 1.39 -0.16 -0.16 2.02 -1.09 0.67 112.91 115.59 1dcj h THR 29 Ca -0.01 -2.64 -0.12 0.00 0.77 0.00 0.00 66.41 64.41 1dcj h THR 29 Cb 1.70 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 70.78 1dcj h THR 29 CO 0.13 0.79 -0.41 0.58 0.37 0.00 0.00 175.52 176.97 1dcj h VAL 30 N 0.20 1.31 -0.00 3.16 2.07 0.80 1.66 116.25 125.44 1dcj h VAL 30 Ca -0.14 -1.55 -0.17 0.00 0.82 0.00 0.00 66.70 65.67 1dcj h VAL 30 Cb 1.82 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1dcj h VAL 30 CO 0.20 0.47 -0.77 0.03 0.02 0.00 0.00 177.57 177.52 1dcj h ARG 31 N 0.30 0.06 -0.28 1.57 3.08 -0.57 -3.04 114.38 115.49 1dcj h ARG 31 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dcj h ARG 31 Cb 0.85 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1dcj h ARG 31 CO 0.07 0.80 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 1dcj n ASN 32 N -3.66 3.24 -4.55 7.04 0.23 0.22 -4.96 115.26 112.82 1dcj n ASN 32 Ca -0.01 -1.96 -0.25 0.00 -0.53 0.00 0.00 54.58 51.83 1dcj n ASN 32 Cb 0.74 -0.17 0.13 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 -1.54 1.41 0.08 -3.83 -1.94 0.56 -5.00 119.30 109.04 1dcj s MET 33 Ca 0.34 -1.04 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 1dcj s MET 33 Cb 0.21 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 1dcj s MET 33 CO 0.29 -1.68 -0.11 -0.65 -0.01 0.00 0.00 175.02 172.86 1dcj s GLN 34 N -5.30 0.79 -0.01 2.03 -0.21 -1.26 -4.97 119.66 110.73 1dcj s GLN 34 Ca 0.68 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.72 1dcj s GLN 34 Cb -0.04 -0.57 -0.05 0.00 1.00 0.00 0.00 33.01 33.35 1dcj s GLN 34 CO 0.46 0.10 1.42 -1.25 -2.12 0.00 0.00 175.29 173.90 1dcj s PRO 35 N -2.34 4.27 0.00 2.91 0.04 -1.24 -2.68 135.00 135.96 1dcj s PRO 35 Ca 0.01 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1dcj s PRO 35 Cb -0.06 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1dcj s PRO 35 CO 0.01 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1dcj n GLY 36 N 3.68 1.23 1.97 0.56 0.00 0.32 -4.95 105.19 108.01 1dcj n GLY 36 Ca 0.13 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 -1.61 1.33 -4.06 1.61 -0.58 -1.09 -4.97 120.64 111.26 1dcj n GLU 37 Ca 0.00 -2.00 -0.09 0.00 -0.42 0.00 0.00 57.16 54.65 1dcj n GLU 37 Cb 0.00 0.52 -0.11 0.00 -0.57 0.00 0.00 31.44 31.29 1dcj n GLU 37 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1dcj s THR 38 N -1.97 0.27 -0.12 2.62 -4.23 -1.26 -1.81 115.64 109.13 1dcj s THR 38 Ca 0.01 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1dcj s THR 38 Cb -0.00 -0.99 0.06 0.00 1.34 0.00 0.00 72.50 72.91 1dcj s THR 38 CO 0.00 -0.74 0.20 -0.22 -0.54 0.00 0.00 174.62 173.32 1dcj s LEU 39 N -2.27 -0.13 0.18 4.79 2.96 -0.90 -1.53 118.68 121.79 1dcj s LEU 39 Ca -0.02 0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 53.95 1dcj s LEU 39 Cb -0.01 0.39 -0.08 0.00 0.50 0.00 0.00 46.19 46.99 1dcj s LEU 39 CO -0.05 -0.26 0.66 -0.22 -1.32 0.00 0.00 176.35 175.16 1dcj s LEU 40 N 2.33 4.38 -0.03 -0.68 2.96 -0.28 -0.82 118.68 126.54 1dcj s LEU 40 Ca 0.03 1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1dcj s LEU 40 Cb -0.13 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.20 1dcj s LEU 40 CO -0.08 0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.45 1dcj s ILE 41 N -1.43 -0.02 0.26 6.68 1.01 -0.67 0.05 121.20 127.07 1dcj s ILE 41 Ca 0.39 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.36 1dcj s ILE 41 Cb -0.17 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 1dcj s ILE 41 CO 0.21 0.13 0.34 -0.63 0.00 0.00 0.00 174.94 174.99 1dcj s ILE 42 N 1.46 4.88 -0.29 2.92 1.01 -0.04 -0.86 121.20 130.28 1dcj s ILE 42 Ca -0.04 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 1dcj s ILE 42 Cb -0.13 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.76 1dcj s ILE 42 CO -0.03 -0.31 0.76 0.00 0.00 0.00 0.00 174.94 175.36 1dcj s ALA 43 N -2.05 -2.04 -0.14 9.38 0.00 0.05 -0.25 121.76 126.71 1dcj s ALA 43 Ca 0.35 2.35 0.16 0.00 0.00 0.00 0.00 51.96 54.83 1dcj s ALA 43 Cb -0.09 -1.59 -0.24 0.00 0.00 0.00 0.00 23.12 21.20 1dcj s ALA 43 CO 0.28 -0.52 0.15 -0.40 0.00 0.00 0.00 175.76 175.27 1dcj n ASP 44 N 4.46 0.65 -4.77 0.00 5.68 -0.90 -0.12 116.55 121.55 1dcj n ASP 44 Ca -0.17 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.71 1dcj n ASP 44 Cb 0.56 1.16 0.01 0.00 -1.14 0.00 0.00 41.12 41.72 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 -4.93 5.93 0.44 -1.12 2.15 -1.23 -4.86 116.67 113.05 1dcj s ASP 45 Ca -0.08 2.96 0.25 0.00 0.43 0.00 0.00 52.55 56.11 1dcj s ASP 45 Cb 0.07 -2.66 0.58 0.00 -0.30 0.00 0.00 42.92 40.61 1dcj s ASP 45 CO 0.74 -1.14 1.70 1.55 -0.17 0.00 0.00 175.17 177.84 1dcj h PRO 46 N 2.42 0.00 -0.01 4.34 0.13 -1.91 -3.05 132.00 133.93 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 0.62 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.07 2.81 0.03 -0.56 0.00 -1.26 -3.91 120.51 115.55 1dcj n ALA 47 Ca 0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 1dcj n ALA 47 Cb 0.48 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 1.41 0.75 -0.47 0.00 1.35 -1.85 -0.82 112.91 113.28 1dcj h THR 48 Ca 0.00 -2.41 0.09 0.00 -0.55 0.00 0.00 66.41 63.54 1dcj h THR 48 Cb 0.44 2.61 -0.03 0.00 -1.73 0.00 0.00 68.15 69.45 1dcj h THR 48 CO 0.00 0.89 0.32 0.71 -0.25 0.00 0.00 175.52 177.19 1dcj h THR 49 N 0.09 0.89 0.03 6.82 1.35 -1.69 0.16 112.91 120.56 1dcj h THR 49 Ca -0.39 -0.09 -0.38 0.00 -0.55 0.00 0.00 66.41 65.00 1dcj h THR 49 Cb 2.06 0.61 -0.06 0.00 -1.73 0.00 0.00 68.15 69.04 1dcj h THR 49 CO 0.13 0.05 -2.31 0.54 -0.25 0.00 0.00 175.52 173.67 1dcj n ARG 50 N -4.46 0.68 -0.03 4.72 1.74 -1.25 -4.44 116.66 113.63 1dcj n ARG 50 Ca 0.07 0.16 -0.20 0.00 -0.77 0.00 0.00 57.85 57.11 1dcj n ARG 50 Cb 0.36 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.25 -0.38 0.55 3.32 -0.94 -2.67 116.42 116.56 1dcj h ASP 51 Ca -0.52 -0.80 0.07 0.00 0.02 0.00 0.00 57.03 55.80 1dcj h ASP 51 Cb 1.99 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 41.39 1dcj h ASP 51 CO -0.02 1.50 -0.00 0.40 -1.72 0.00 0.00 179.24 179.40 1dcj h ILE 52 N -0.55 0.71 -0.00 0.35 2.04 -1.11 0.23 117.51 119.18 1dcj h ILE 52 Ca -0.27 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1dcj h ILE 52 Cb 1.56 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1dcj h ILE 52 CO -0.01 0.02 -0.00 1.55 0.00 0.00 0.00 178.15 179.71 1dcj h PRO 53 N 0.10 0.00 -0.67 2.37 0.13 -1.74 -2.35 132.00 129.84 1dcj h PRO 53 Ca 0.19 -0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.51 1dcj h PRO 53 Cb 0.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1dcj h PRO 53 CO -0.32 0.67 0.73 0.78 -0.23 0.00 0.00 178.00 179.63 1dcj h GLY 54 N -0.66 0.00 0.11 1.56 0.00 -1.22 0.32 103.07 103.18 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 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1dcj h PHE 55 N 0.00 -0.04 -0.97 5.60 3.57 -0.65 -2.97 116.94 121.49 1dcj h PHE 55 Ca 0.32 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.01 1dcj h PHE 55 Cb 1.77 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 40.43 1dcj h PHE 55 CO 0.00 0.64 0.61 0.00 -2.23 0.00 0.00 178.31 177.33 1dcj h THR 57 N 0.65 1.23 -0.01 0.00 2.02 -1.20 -0.46 112.91 115.14 1dcj h THR 57 Ca 0.53 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 1dcj h THR 57 Cb 0.96 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1dcj h THR 57 CO -0.29 0.33 -0.45 0.15 0.37 0.00 0.00 175.52 175.63 1dcj h PHE 58 N 0.51 0.02 -0.19 3.16 3.04 -0.18 -2.77 116.94 120.52 1dcj h PHE 58 Ca 0.10 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1dcj h PHE 58 Cb 0.46 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.97 1dcj h PHE 58 CO 0.02 0.46 0.00 -1.33 -2.02 0.00 0.00 178.31 175.44 1dcj n MET 59 N -4.01 1.74 -1.42 1.11 2.81 -0.83 -4.90 117.12 111.63 1dcj n MET 59 Ca -0.02 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 1dcj n MET 59 Cb 0.47 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.35 0.00 -2.82 0.03 4.07 -1.05 -4.97 120.64 116.26 1dcj n GLU 60 Ca 0.16 0.22 -0.20 0.00 -0.06 0.00 0.00 57.16 57.27 1dcj n GLU 60 Cb 0.33 -3.48 0.06 0.00 -0.06 0.00 0.00 31.44 28.28 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1dcj s HIS 61 N -2.00 2.09 0.03 4.31 3.76 -0.22 -2.85 115.29 120.42 1dcj s HIS 61 Ca 0.00 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 1dcj s HIS 61 Cb 0.00 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 1dcj s HIS 61 CO 0.00 -1.08 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.36 1dcj s GLU 62 N -4.75 1.62 -0.63 1.40 2.02 -0.58 -4.46 118.70 113.31 1dcj s GLU 62 Ca 0.61 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 54.38 1dcj s GLU 62 Cb -0.08 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.48 1dcj s GLU 62 CO 0.39 0.45 1.00 -1.17 0.02 0.00 0.00 175.26 175.95 1dcj s LEU 63 N -1.09 4.11 -0.01 1.80 2.96 -1.26 0.30 118.68 125.49 1dcj s LEU 63 Ca 0.09 -0.69 -0.24 0.00 -0.22 0.00 0.00 54.13 53.07 1dcj s LEU 63 Cb -0.09 -2.58 -0.19 0.00 0.50 0.00 0.00 46.19 43.83 1dcj s LEU 63 CO 0.01 -1.43 1.25 0.58 -1.32 0.00 0.00 176.35 175.45 1dcj h VAL 64 N 6.00 1.41 -2.91 1.68 2.07 -0.61 -3.46 116.25 120.43 1dcj h VAL 64 Ca -0.28 -1.33 -0.17 0.00 0.82 0.00 0.00 66.70 65.75 1dcj h VAL 64 Cb 1.07 2.18 -0.28 0.00 -1.52 0.00 0.00 31.29 32.74 1dcj h VAL 64 CO 1.16 0.36 -0.42 0.00 0.02 0.00 0.00 177.57 178.70 1dcj s ALA 65 N -4.08 -0.72 0.28 1.67 0.00 -1.17 -4.90 121.76 112.85 1dcj s ALA 65 Ca -0.15 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.01 1dcj s ALA 65 Cb 0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1dcj s ALA 65 CO 0.71 -0.22 0.42 0.15 0.00 0.00 0.00 175.76 176.82 1dcj s LYS 66 N 1.24 3.39 -0.16 0.00 3.01 -1.26 0.71 119.74 126.67 1dcj s LYS 66 Ca -0.09 -0.72 -0.04 0.00 -1.01 0.00 0.00 55.97 54.12 1dcj s LYS 66 Cb -0.09 -2.83 0.05 0.00 -1.01 0.00 0.00 37.83 33.95 1dcj s LYS 66 CO -0.09 0.31 0.06 -1.21 0.51 0.00 0.00 175.35 174.93 1dcj s GLU 67 N -4.08 0.26 -0.09 1.68 0.41 0.51 -4.88 118.70 112.51 1dcj s GLU 67 Ca 0.37 -0.13 0.23 0.00 -0.41 0.00 0.00 54.97 55.03 1dcj s GLU 67 Cb -0.09 -1.73 0.45 0.00 -1.78 0.00 0.00 34.13 30.97 1dcj s GLU 67 CO 0.31 -0.60 1.16 0.25 -0.49 0.00 0.00 175.26 175.89 1dcj n THR 68 N 5.20 0.63 1.81 3.63 -2.24 -1.26 -1.58 114.28 120.48 1dcj n THR 68 Ca -0.07 -1.80 0.07 0.00 -2.27 0.00 0.00 64.05 59.98 1dcj n THR 68 Cb 0.49 0.83 0.44 0.00 -2.10 0.00 0.00 70.33 69.99 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 9.92 -1.26 -4.84 116.55 123.81 1dcj n ASP 69 Ca 0.09 -1.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 1dcj n ASP 69 Cb 1.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 1dcj n ASP 69 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dcj n GLY 70 N 0.61 3.89 2.44 0.44 0.00 -1.26 -5.09 105.19 106.23 1dcj n GLY 70 Ca 0.11 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.07 -4.82 0.99 4.77 -1.26 -4.47 117.00 110.15 1dcj n LEU 71 Ca 0.00 0.61 -0.34 0.00 -0.03 0.00 0.00 56.01 56.25 1dcj n LEU 71 Cb 0.00 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 1dcj n LEU 71 CO 0.00 -3.06 0.58 -2.16 -1.33 0.00 0.00 177.39 171.42 1dcj s PRO 72 N -0.74 4.25 0.88 3.23 0.04 -1.26 -5.13 135.00 136.28 1dcj s PRO 72 Ca 0.44 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 1dcj s PRO 72 Cb -0.48 -2.40 0.12 0.00 0.04 0.00 0.00 34.50 31.78 1dcj s PRO 72 CO 0.46 0.10 1.10 0.71 0.04 0.00 0.00 177.00 179.41 1dcj s TYR 73 N -1.98 2.45 0.02 0.56 2.02 0.83 -4.74 117.35 116.50 1dcj s TYR 73 Ca 0.57 1.15 -0.13 0.00 -0.37 0.00 0.00 57.07 58.29 1dcj s TYR 73 Cb -0.12 -3.18 0.02 0.00 -0.40 0.00 0.00 41.96 38.28 1dcj s TYR 73 CO 0.17 -2.28 0.27 1.03 -1.57 0.00 0.00 175.55 173.17 1dcj s ARG 74 N -5.03 0.70 -0.21 -0.62 0.52 -0.61 -0.77 118.95 112.93 1dcj s ARG 74 Ca 0.63 -0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 55.36 1dcj s ARG 74 Cb -0.17 0.30 0.08 0.00 0.52 0.00 0.00 34.95 35.69 1dcj s ARG 74 CO 0.56 -0.21 0.49 0.71 0.02 0.00 0.00 175.30 176.87 1dcj s TYR 75 N -1.95 -0.85 0.31 -0.53 2.02 -0.04 0.19 117.35 116.51 1dcj s TYR 75 Ca -0.09 1.65 -0.10 0.00 -0.37 0.00 0.00 57.07 58.15 1dcj s TYR 75 Cb -0.03 0.41 -0.07 0.00 -0.40 0.00 0.00 41.96 41.87 1dcj s TYR 75 CO 0.00 -0.47 0.65 -1.17 -1.57 0.00 0.00 175.55 172.99 1dcj s LEU 76 N 2.08 4.03 -0.22 -1.29 2.96 0.22 -1.67 118.68 124.79 1dcj s LEU 76 Ca -0.06 1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1dcj s LEU 76 Cb -0.10 -3.82 0.10 0.00 0.50 0.00 0.00 46.19 42.87 1dcj s LEU 76 CO -0.15 -0.22 0.22 -0.63 -1.32 0.00 0.00 176.35 174.25 1dcj s ILE 77 N -2.07 -0.30 -0.32 6.68 1.01 0.00 0.15 121.20 126.36 1dcj s ILE 77 Ca 0.49 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 1dcj s ILE 77 Cb -0.11 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1dcj s ILE 77 CO 0.25 -0.29 1.54 -0.60 0.00 0.00 0.00 174.94 175.84 1dcj s ARG 78 N 2.30 3.64 -0.37 2.79 3.52 0.15 -2.11 118.95 128.87 1dcj s ARG 78 Ca 0.07 1.30 -0.28 0.00 -0.13 0.00 0.00 55.73 56.70 1dcj s ARG 78 Cb -0.15 -4.04 -0.04 0.00 -1.56 0.00 0.00 34.95 29.15 1dcj s ARG 78 CO -0.17 -1.48 2.04 0.21 -0.81 0.00 0.00 175.30 175.09 1dcj s LYS 79 N 4.90 2.95 0.00 5.12 2.20 -0.75 -1.52 119.74 132.63 1dcj s LYS 79 Ca 0.68 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1dcj s LYS 79 Cb -0.19 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.78 1dcj s LYS 79 CO 0.30 -2.32 0.00 0.41 -0.36 0.00 0.00 175.35 173.39 1dcj n GLY 80 N 5.67 1.63 0.12 5.54 0.00 -1.26 -0.52 105.19 116.37 1dcj n GLY 80 Ca 0.27 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.32 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93