#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 0.21 -3.81 2.03 5.66 -1.26 -4.89 114.28 112.22 1dcj n THR 2 Ca 0.00 -0.32 -0.35 0.00 -3.05 0.00 0.00 64.05 60.33 1dcj n THR 2 Cb 0.00 -1.86 -0.12 0.00 -1.55 0.00 0.00 70.33 66.80 1dcj n THR 2 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1dcj s ASP 3 N 7.76 5.12 0.02 1.09 1.11 -1.26 -4.89 116.67 125.61 1dcj s ASP 3 Ca 1.08 -2.31 0.26 0.00 0.18 0.00 0.00 52.55 51.76 1dcj s ASP 3 Cb -0.73 -1.79 0.64 0.00 1.07 0.00 0.00 42.92 42.11 1dcj s ASP 3 CO 0.45 -0.46 1.51 0.18 1.18 0.00 0.00 175.17 178.04 1dcj n LEU 4 N 4.19 0.43 -0.77 1.23 4.77 -1.26 -3.61 117.00 121.98 1dcj n LEU 4 Ca 0.01 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1dcj n LEU 4 Cb 0.40 -0.29 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1dcj n LEU 4 CO 0.32 0.07 0.48 0.49 -1.33 0.00 0.00 177.39 177.42 1dcj n PHE 5 N -1.60 0.53 -0.77 -1.77 3.01 -1.26 -4.86 117.46 110.74 1dcj n PHE 5 Ca 0.05 -0.20 -0.22 0.00 1.01 0.00 0.00 57.45 58.10 1dcj n PHE 5 Cb 0.35 -0.16 0.07 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.18 -2.63 -4.46 4.37 7.64 -1.24 -4.34 113.62 113.14 1dcj n SER 6 Ca 0.08 -0.11 -0.44 0.00 1.01 0.00 0.00 58.87 59.41 1dcj n SER 6 Cb 0.43 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.50 1.12 -4.38 6.43 3.41 -1.26 -4.87 113.62 115.56 1dcj n SER 7 Ca 0.01 0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 1dcj n SER 7 Cb 0.43 -1.12 0.17 0.00 -0.26 0.00 0.00 64.21 63.43 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 7.91 0.55 0.25 4.33 0.04 -1.26 -4.98 135.00 141.84 1dcj s PRO 8 Ca 1.21 -0.02 0.20 0.00 0.04 0.00 0.00 61.00 62.43 1dcj s PRO 8 Cb -0.99 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 31.83 1dcj s PRO 8 CO 0.47 -2.54 1.24 -0.44 0.04 0.00 0.00 177.00 175.76 1dcj h ASP 9 N -1.74 0.00 -5.51 6.66 5.19 -1.66 -3.48 116.42 115.88 1dcj h ASP 9 Ca -0.47 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 55.71 1dcj h ASP 9 Cb 1.29 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.70 1dcj h ASP 9 CO 0.49 0.22 -0.32 -1.00 -3.12 0.00 0.00 179.24 175.51 1dcj s HIS 10 N -3.15 0.99 0.07 4.55 3.76 -0.59 -4.97 115.29 115.95 1dcj s HIS 10 Ca 0.02 -1.21 -0.07 0.00 -0.15 0.00 0.00 55.06 53.65 1dcj s HIS 10 Cb 0.08 -0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.55 1dcj s HIS 10 CO 0.75 -0.94 0.14 0.99 -0.85 0.00 0.00 174.74 174.84 1dcj s THR 11 N -3.65 0.16 -0.20 1.30 2.01 -1.26 -1.19 115.64 112.80 1dcj s THR 11 Ca 0.32 -1.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 1dcj s THR 11 Cb 0.02 -1.32 0.10 0.00 0.01 0.00 0.00 72.50 71.31 1dcj s THR 11 CO 0.16 -0.71 0.30 -0.22 -0.69 0.00 0.00 174.62 173.46 1dcj s LEU 12 N -2.77 -0.38 0.22 4.42 2.96 0.72 -4.88 118.68 118.97 1dcj s LEU 12 Ca 0.04 0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.87 1dcj s LEU 12 Cb 0.05 0.79 -0.09 0.00 0.50 0.00 0.00 46.19 47.44 1dcj s LEU 12 CO -0.10 -0.29 0.85 -0.62 -1.32 0.00 0.00 176.35 174.87 1dcj s ASP 13 N 2.45 7.45 0.00 3.68 -1.08 -1.26 -0.78 116.67 127.12 1dcj s ASP 13 Ca 0.07 1.76 0.02 0.00 -0.52 0.00 0.00 52.55 53.88 1dcj s ASP 13 Cb -0.15 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.80 1dcj s ASP 13 CO -0.13 0.14 0.91 0.00 0.52 0.00 0.00 175.17 176.62 1dcj n ALA 14 N 1.35 2.06 -2.60 3.66 0.00 0.17 -4.82 120.51 120.32 1dcj n ALA 14 Ca -0.03 -0.89 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 1dcj n ALA 14 Cb 0.48 -0.42 -0.02 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 0.00 3.72 0.00 0.00 1.43 -1.26 -1.73 118.68 120.84 1dcj s LEU 15 Ca 0.02 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1dcj s LEU 15 Cb 0.03 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1dcj s LEU 15 CO -0.01 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.01 1dcj n GLY 16 N 4.68 0.77 3.89 -3.19 0.00 -1.26 -4.80 105.19 105.27 1dcj n GLY 16 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.71 -4.96 118.68 119.72 1dcj s LEU 17 Ca 0.00 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 1dcj s LEU 17 Cb 0.00 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 1dcj s LEU 17 CO 0.00 0.09 0.08 0.00 0.23 0.00 0.00 176.35 176.75 1dcj s ARG 18 N -2.43 0.38 0.31 1.70 1.04 -1.26 -4.06 118.95 114.63 1dcj s ARG 18 Ca 0.38 -0.38 -0.26 0.00 -1.04 0.00 0.00 55.73 54.43 1dcj s ARG 18 Cb -0.13 0.15 -0.14 0.00 -2.04 0.00 0.00 34.95 32.80 1dcj s ARG 18 CO 0.22 -0.08 0.79 0.00 -0.04 0.00 0.00 175.30 176.19 1dcj n PRO 20 N 0.72 1.63 -0.16 0.00 -0.04 -1.26 -4.91 135.00 130.98 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 -1.39 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.97 0.25 0.33 0.54 5.08 -0.77 0.70 114.58 122.68 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 -0.16 -1.00 -1.00 0.00 0.00 179.01 177.02 1dcj h PRO 22 N 0.26 -0.43 -0.64 2.33 0.13 -1.87 -1.21 132.00 130.57 1dcj h PRO 22 Ca 0.26 0.03 0.19 0.00 -0.87 0.00 0.00 66.00 65.60 1dcj h PRO 22 Cb 0.34 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1dcj h PRO 22 CO -0.32 -0.29 0.73 0.28 -0.23 0.00 0.00 178.00 178.17 1dcj h VAL 23 N -0.76 0.23 -0.16 1.56 2.07 -1.87 0.51 116.25 117.82 1dcj h VAL 23 Ca -0.05 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 1dcj h VAL 23 Cb 0.34 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 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 0.65 -0.35 1.57 2.86 0.90 -2.75 114.93 117.81 1dcj h MET 24 Ca 0.31 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1dcj h MET 24 Cb 1.76 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.49 1dcj h MET 24 CO -0.00 1.10 0.21 0.52 1.06 0.00 0.00 176.91 179.79 1dcj h MET 25 N 0.32 0.49 0.00 1.72 2.86 0.12 -0.90 114.93 119.54 1dcj h MET 25 Ca -0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1dcj h MET 25 Cb 1.15 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1dcj h MET 25 CO 0.11 0.38 -0.02 0.28 1.06 0.00 0.00 176.91 178.72 1dcj h VAL 26 N 0.46 0.78 0.36 -2.22 2.07 -1.49 -1.25 116.25 114.96 1dcj h VAL 26 Ca 0.13 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1dcj h VAL 26 Cb 0.02 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1dcj h VAL 26 CO -0.02 0.02 -0.17 0.03 0.02 0.00 0.00 177.57 177.44 1dcj h ARG 27 N 0.00 -0.47 -0.24 1.57 2.47 -0.85 0.68 114.38 117.54 1dcj h ARG 27 Ca -0.00 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1dcj h ARG 27 Cb 0.04 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1dcj h ARG 27 CO 0.00 -0.18 0.13 0.87 0.56 0.00 0.00 179.97 181.36 1dcj h LYS 28 N -0.73 0.27 -0.62 0.04 1.79 -1.07 0.53 116.57 116.77 1dcj h LYS 28 Ca -0.05 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1dcj h LYS 28 Cb 0.50 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1dcj h LYS 28 CO 0.08 0.18 0.34 1.15 -1.08 0.00 0.00 179.45 180.12 1dcj h THR 29 N 0.28 1.19 0.00 -0.16 2.02 -1.22 0.28 112.91 115.30 1dcj h THR 29 Ca 0.09 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1dcj h THR 29 Cb 0.00 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1dcj h THR 29 CO -0.05 0.21 -0.35 0.58 0.37 0.00 0.00 175.52 176.28 1dcj h VAL 30 N 0.87 1.12 0.00 3.16 2.07 0.17 1.40 116.25 125.05 1dcj h VAL 30 Ca 0.22 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.31 1dcj h VAL 30 Cb 0.03 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1dcj h VAL 30 CO -0.04 0.35 -0.74 0.03 0.02 0.00 0.00 177.57 177.19 1dcj h ARG 31 N 0.00 0.00 -0.24 1.57 3.08 0.31 -3.16 114.38 115.95 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 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1dcj h ARG 31 CO 0.05 0.74 0.00 0.27 -1.07 0.00 0.00 179.97 179.96 1dcj n ASN 32 N -3.40 2.86 -4.93 7.04 0.23 0.66 -4.98 115.26 112.75 1dcj n ASN 32 Ca 0.00 -1.84 -0.23 0.00 -0.53 0.00 0.00 54.58 51.98 1dcj n ASN 32 Cb 0.79 -0.15 0.06 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 -1.26 2.31 0.14 -3.83 -1.94 0.47 -5.02 119.30 110.17 1dcj s MET 33 Ca 0.27 -0.57 0.08 0.00 -1.71 0.00 0.00 55.69 53.76 1dcj s MET 33 Cb 0.16 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1dcj s MET 33 CO 0.23 -1.01 -0.18 -0.65 -0.01 0.00 0.00 175.02 173.39 1dcj s GLN 34 N -5.01 1.19 -0.02 2.03 -0.21 -1.26 -4.96 119.66 111.41 1dcj s GLN 34 Ca 0.59 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 1dcj s GLN 34 Cb -0.10 -1.29 -0.05 0.00 1.00 0.00 0.00 33.01 32.57 1dcj s GLN 34 CO 0.42 0.27 1.43 -1.25 -2.12 0.00 0.00 175.29 174.04 1dcj s PRO 35 N -2.48 4.26 0.00 2.91 0.04 -1.24 -2.34 135.00 136.15 1dcj s PRO 35 Ca 0.12 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1dcj s PRO 35 Cb -0.07 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1dcj s PRO 35 CO 0.05 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1dcj n GLY 36 N 3.72 1.09 2.14 0.56 0.00 0.39 -4.95 105.19 108.15 1dcj n GLY 36 Ca 0.14 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 -1.79 1.16 -4.06 1.61 4.71 -0.99 -4.97 120.64 116.33 1dcj n GLU 37 Ca 0.00 -2.07 -0.09 0.00 -0.01 0.00 0.00 57.16 55.00 1dcj n GLU 37 Cb 0.00 0.40 -0.10 0.00 -1.01 0.00 0.00 31.44 30.73 1dcj n GLU 37 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1dcj s THR 38 N -1.83 0.27 -0.07 2.62 -4.23 -1.26 -1.88 115.64 109.26 1dcj s THR 38 Ca 0.08 -1.43 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1dcj s THR 38 Cb -0.01 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.88 1dcj s THR 38 CO 0.05 -0.74 0.10 -0.22 -0.54 0.00 0.00 174.62 173.26 1dcj s LEU 39 N -2.28 0.10 0.12 4.79 2.96 -0.94 -1.54 118.68 121.90 1dcj s LEU 39 Ca -0.02 0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.74 1dcj s LEU 39 Cb -0.01 -0.03 -0.07 0.00 0.50 0.00 0.00 46.19 46.59 1dcj s LEU 39 CO -0.05 -0.26 0.62 -0.22 -1.32 0.00 0.00 176.35 175.12 1dcj s LEU 40 N 2.20 4.49 0.06 -0.68 2.96 -0.33 -1.06 118.68 126.33 1dcj s LEU 40 Ca 0.04 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1dcj s LEU 40 Cb -0.13 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 1dcj s LEU 40 CO -0.05 0.21 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.50 1dcj s ILE 41 N -1.22 0.52 0.22 6.68 1.01 -0.87 -0.20 121.20 127.34 1dcj s ILE 41 Ca 0.33 -1.44 0.05 0.00 0.00 0.00 0.00 60.65 59.59 1dcj s ILE 41 Cb -0.19 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1dcj s ILE 41 CO 0.21 -0.63 -0.05 -0.63 0.00 0.00 0.00 174.94 173.83 1dcj s ILE 42 N -2.44 1.29 -0.29 2.92 1.01 0.04 -1.10 121.20 122.64 1dcj s ILE 42 Ca -0.01 -2.08 -0.16 0.00 0.00 0.00 0.00 60.65 58.40 1dcj s ILE 42 Cb -0.03 -2.24 0.11 0.00 0.01 0.00 0.00 42.46 40.32 1dcj s ILE 42 CO -0.03 -0.43 0.82 0.00 0.00 0.00 0.00 174.94 175.30 1dcj s ALA 43 N -3.25 -2.08 -0.13 9.38 0.00 0.84 -0.66 121.76 125.86 1dcj s ALA 43 Ca 0.26 2.32 0.15 0.00 0.00 0.00 0.00 51.96 54.69 1dcj s ALA 43 Cb 0.04 -1.58 -0.22 0.00 0.00 0.00 0.00 23.12 21.36 1dcj s ALA 43 CO 0.08 -0.40 0.14 -0.40 0.00 0.00 0.00 175.76 175.18 1dcj n ASP 44 N 4.10 0.93 -4.77 0.00 5.68 -0.89 -0.10 116.55 121.49 1dcj n ASP 44 Ca -0.19 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.70 1dcj n ASP 44 Cb 0.58 1.13 0.01 0.00 -1.14 0.00 0.00 41.12 41.70 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 -4.79 6.01 0.41 -1.12 2.15 -1.23 -4.86 116.67 113.23 1dcj s ASP 45 Ca -0.08 2.97 0.26 0.00 0.43 0.00 0.00 52.55 56.13 1dcj s ASP 45 Cb 0.06 -2.66 0.68 0.00 -0.30 0.00 0.00 42.92 40.70 1dcj s ASP 45 CO 0.69 -1.09 1.72 1.55 -0.17 0.00 0.00 175.17 177.87 1dcj h PRO 46 N 2.53 0.00 -0.01 4.34 0.13 -1.91 -3.01 132.00 134.07 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 -0.13 0.00 -0.23 0.00 0.00 178.00 178.26 1dcj n ALA 47 N -2.02 2.83 0.03 -0.56 0.00 -1.26 -3.97 120.51 115.56 1dcj n ALA 47 Ca 0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1dcj n ALA 47 Cb 0.45 -1.18 -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 1.52 0.77 -0.31 0.00 1.35 -1.84 -0.72 112.91 113.69 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 0.47 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1dcj h THR 48 CO 0.00 0.88 0.22 0.71 -0.25 0.00 0.00 175.52 177.07 1dcj h THR 49 N 0.07 0.90 0.03 6.82 1.35 -1.69 0.51 112.91 120.89 1dcj h THR 49 Ca -0.39 -0.03 -0.37 0.00 -0.55 0.00 0.00 66.41 65.06 1dcj h THR 49 Cb 2.05 0.79 -0.05 0.00 -1.73 0.00 0.00 68.15 69.21 1dcj h THR 49 CO 0.13 0.02 -2.29 0.54 -0.25 0.00 0.00 175.52 173.66 1dcj n ARG 50 N -4.47 0.68 -0.04 4.72 1.74 -1.25 -4.43 116.66 113.61 1dcj n ARG 50 Ca 0.04 0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 57.08 1dcj n ARG 50 Cb 0.31 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.19 -0.32 0.55 3.32 -0.90 -2.83 116.42 116.44 1dcj h ASP 51 Ca -0.52 -0.75 0.07 0.00 0.02 0.00 0.00 57.03 55.85 1dcj h ASP 51 Cb 1.99 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 41.41 1dcj h ASP 51 CO -0.02 1.52 -0.12 0.40 -1.72 0.00 0.00 179.24 179.30 1dcj h ILE 52 N -0.62 0.59 -0.00 0.35 2.04 -1.05 0.65 117.51 119.47 1dcj h ILE 52 Ca -0.30 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1dcj h ILE 52 Cb 1.52 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1dcj h ILE 52 CO -0.05 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.64 1dcj h PRO 53 N -0.06 0.02 -0.56 2.37 0.13 -1.75 -2.36 132.00 129.79 1dcj h PRO 53 Ca 0.16 -0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.44 1dcj h PRO 53 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 1dcj h PRO 53 CO -0.37 0.61 0.67 0.78 -0.23 0.00 0.00 178.00 179.46 1dcj h GLY 54 N -0.58 0.00 0.15 1.56 0.00 -1.23 0.20 103.07 103.18 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 -0.03 -2.75 0.00 0.00 0.00 176.54 173.76 1dcj h PHE 55 N 0.00 -0.08 -0.93 5.60 3.57 -0.46 -2.73 116.94 121.90 1dcj h PHE 55 Ca 0.26 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.93 1dcj h PHE 55 Cb 1.59 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 40.28 1dcj h PHE 55 CO 0.00 0.43 0.60 0.00 -2.23 0.00 0.00 178.31 177.10 1dcj h THR 57 N 0.67 1.26 -0.09 0.00 2.02 -1.20 -0.21 112.91 115.37 1dcj h THR 57 Ca 0.49 -1.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 1dcj h THR 57 Cb 0.85 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1dcj h THR 57 CO -0.24 0.38 -0.44 0.15 0.37 0.00 0.00 175.52 175.74 1dcj h PHE 58 N 0.28 0.25 -0.11 3.16 3.04 -0.06 -2.89 116.94 120.62 1dcj h PHE 58 Ca 0.04 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1dcj h PHE 58 Cb 0.65 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1dcj h PHE 58 CO 0.01 0.62 0.00 -1.33 -2.02 0.00 0.00 178.31 175.60 1dcj n MET 59 N -4.00 1.64 -1.11 1.11 2.81 -0.85 -4.90 117.12 111.83 1dcj n MET 59 Ca -0.02 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 1dcj n MET 59 Cb 0.50 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 1dcj n MET 59 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1dcj n GLU 60 N 0.17 0.00 -2.81 0.03 0.28 -1.09 -4.89 120.64 112.33 1dcj n GLU 60 Ca 0.17 0.18 -0.21 0.00 -0.16 0.00 0.00 57.16 57.14 1dcj n GLU 60 Cb 0.31 -2.74 0.06 0.00 1.43 0.00 0.00 31.44 30.50 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1dcj s HIS 61 N -2.00 2.01 0.03 -1.84 3.76 -0.11 -3.78 115.29 113.36 1dcj s HIS 61 Ca 0.00 -0.38 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1dcj s HIS 61 Cb 0.00 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.07 1dcj s HIS 61 CO 0.00 -1.14 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.30 1dcj s GLU 62 N -4.78 1.64 -0.62 1.40 0.41 -0.64 -4.42 118.70 111.70 1dcj s GLU 62 Ca 0.61 -0.98 -0.24 0.00 -0.41 0.00 0.00 54.97 53.95 1dcj s GLU 62 Cb -0.07 -1.75 0.05 0.00 -1.78 0.00 0.00 34.13 30.58 1dcj s GLU 62 CO 0.39 0.46 1.00 -1.17 -0.49 0.00 0.00 175.26 175.45 1dcj s LEU 63 N -1.06 4.07 -0.04 1.80 2.96 -1.26 0.56 118.68 125.71 1dcj s LEU 63 Ca 0.09 -0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 53.16 1dcj s LEU 63 Cb -0.09 -2.65 -0.21 0.00 0.50 0.00 0.00 46.19 43.74 1dcj s LEU 63 CO 0.01 -1.39 1.17 0.58 -1.32 0.00 0.00 176.35 175.40 1dcj h VAL 64 N 6.01 1.47 -2.96 1.68 2.07 -0.53 -3.46 116.25 120.52 1dcj h VAL 64 Ca -0.27 -1.47 -0.18 0.00 0.82 0.00 0.00 66.70 65.59 1dcj h VAL 64 Cb 1.07 2.40 -0.29 0.00 -1.52 0.00 0.00 31.29 32.95 1dcj h VAL 64 CO 1.15 0.39 -0.45 0.00 0.02 0.00 0.00 177.57 178.68 1dcj s ALA 65 N -3.78 -0.64 0.31 1.67 0.00 -1.16 -4.90 121.76 113.25 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 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1dcj s ALA 65 CO 0.70 -0.21 0.45 0.15 0.00 0.00 0.00 175.76 176.85 1dcj s LYS 66 N 1.26 3.29 -0.15 0.00 3.01 -1.26 0.74 119.74 126.64 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 -2.81 0.05 0.00 -1.01 0.00 0.00 37.83 33.97 1dcj s LYS 66 CO -0.09 0.19 0.08 -1.21 0.51 0.00 0.00 175.35 174.83 1dcj s GLU 67 N -4.15 0.10 -0.05 1.68 0.41 0.50 -4.88 118.70 112.31 1dcj s GLU 67 Ca 0.40 -0.02 0.24 0.00 -0.41 0.00 0.00 54.97 55.18 1dcj s GLU 67 Cb -0.09 -1.59 0.44 0.00 -1.78 0.00 0.00 34.13 31.11 1dcj s GLU 67 CO 0.31 -0.59 1.17 0.25 -0.49 0.00 0.00 175.26 175.91 1dcj n THR 68 N 5.26 0.42 1.91 3.63 -2.24 -1.26 -1.53 114.28 120.47 1dcj n THR 68 Ca -0.06 -1.50 0.07 0.00 -2.27 0.00 0.00 64.05 60.29 1dcj n THR 68 Cb 0.49 0.85 0.42 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 0.18 0.00 0.00 3.42 9.92 -1.26 -4.84 116.55 123.97 1dcj n ASP 69 Ca 0.08 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.88 1dcj n ASP 69 Cb 1.06 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 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 0.66 3.89 2.57 0.44 0.00 -1.26 -5.09 105.19 106.41 1dcj n GLY 70 Ca 0.11 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.34 -4.81 0.99 4.77 -1.26 -4.46 117.00 109.89 1dcj n LEU 71 Ca 0.00 0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 56.25 1dcj n LEU 71 Cb 0.00 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1dcj n LEU 71 CO 0.00 -3.35 0.60 -2.16 -1.33 0.00 0.00 177.39 171.15 1dcj s PRO 72 N -0.78 4.33 0.81 3.23 0.04 -1.26 -5.12 135.00 136.24 1dcj s PRO 72 Ca 0.46 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 1dcj s PRO 72 Cb -0.48 -2.50 0.08 0.00 0.04 0.00 0.00 34.50 31.63 1dcj s PRO 72 CO 0.49 0.15 1.09 0.71 0.04 0.00 0.00 177.00 179.48 1dcj s TYR 73 N -1.89 2.51 0.02 0.56 2.02 0.85 -4.69 117.35 116.74 1dcj s TYR 73 Ca 0.55 1.45 -0.09 0.00 -0.37 0.00 0.00 57.07 58.61 1dcj s TYR 73 Cb -0.13 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1dcj s TYR 73 CO 0.18 -1.97 0.18 1.03 -1.57 0.00 0.00 175.55 173.40 1dcj s ARG 74 N -4.92 0.61 -0.19 -0.62 0.52 -0.58 -0.11 118.95 113.65 1dcj s ARG 74 Ca 0.62 -0.52 -0.08 0.00 -0.52 0.00 0.00 55.73 55.23 1dcj s ARG 74 Cb -0.17 0.25 0.08 0.00 0.52 0.00 0.00 34.95 35.63 1dcj s ARG 74 CO 0.56 -0.16 0.43 0.71 0.02 0.00 0.00 175.30 176.86 1dcj s TYR 75 N -2.04 -0.75 0.29 -0.53 2.02 -0.25 0.19 117.35 116.28 1dcj s TYR 75 Ca -0.09 1.47 -0.12 0.00 -0.37 0.00 0.00 57.07 57.96 1dcj s TYR 75 Cb -0.04 0.31 -0.08 0.00 -0.40 0.00 0.00 41.96 41.75 1dcj s TYR 75 CO -0.01 -0.44 0.65 -1.17 -1.57 0.00 0.00 175.55 173.01 1dcj s LEU 76 N 2.15 4.08 -0.20 -1.29 2.96 0.23 -2.06 118.68 124.55 1dcj s LEU 76 Ca -0.05 1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1dcj s LEU 76 Cb -0.10 -3.88 0.09 0.00 0.50 0.00 0.00 46.19 42.79 1dcj s LEU 76 CO -0.13 -0.17 0.19 -0.63 -1.32 0.00 0.00 176.35 174.29 1dcj s ILE 77 N -1.96 -0.26 -0.32 6.68 1.01 -0.22 0.23 121.20 126.36 1dcj s ILE 77 Ca 0.50 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 1dcj s ILE 77 Cb -0.11 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1dcj s ILE 77 CO 0.21 -0.24 1.54 -0.60 0.00 0.00 0.00 174.94 175.85 1dcj s ARG 78 N 2.28 3.64 -0.02 2.79 3.52 0.19 -2.21 118.95 129.15 1dcj s ARG 78 Ca 0.06 1.30 -0.30 0.00 -0.13 0.00 0.00 55.73 56.66 1dcj s ARG 78 Cb -0.16 -4.04 -0.07 0.00 -1.56 0.00 0.00 34.95 29.12 1dcj s ARG 78 CO -0.12 -1.48 1.86 0.21 -0.81 0.00 0.00 175.30 174.95 1dcj s LYS 79 N 4.89 4.10 0.08 5.12 2.36 -0.79 -1.62 119.74 133.88 1dcj s LYS 79 Ca 0.67 2.40 0.01 0.00 -2.55 0.00 0.00 55.97 56.51 1dcj s LYS 79 Cb -0.19 -4.11 -0.00 0.00 -1.05 0.00 0.00 37.83 32.48 1dcj s LYS 79 CO 0.30 -0.98 0.05 0.41 1.55 0.00 0.00 175.35 176.68 1dcj n GLY 80 N 4.46 3.85 0.00 5.54 0.00 -1.26 -0.46 105.19 117.31 1dcj n GLY 80 Ca 0.19 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93