#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 3.67 -0.18 2.03 2.01 -1.26 -5.09 115.64 116.82 1dcj s THR 2 Ca 0.00 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1dcj s THR 2 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1dcj s THR 2 CO 0.00 0.41 0.27 -1.81 -0.69 0.00 0.00 174.62 172.81 1dcj s ASP 3 N 1.32 6.37 0.15 3.53 1.01 -1.26 -4.96 116.67 122.83 1dcj s ASP 3 Ca 0.04 0.42 0.09 0.00 0.71 0.00 0.00 52.55 53.81 1dcj s ASP 3 Cb -0.14 -2.17 -0.14 0.00 1.01 0.00 0.00 42.92 41.47 1dcj s ASP 3 CO -0.00 0.07 1.30 -0.07 0.21 0.00 0.00 175.17 176.68 1dcj h LEU 4 N 6.95 0.00 -1.32 1.23 3.38 -1.98 -3.14 115.31 120.43 1dcj h LEU 4 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1dcj h LEU 4 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1dcj h LEU 4 CO 0.74 0.88 0.00 0.49 0.09 0.00 0.00 178.44 180.64 1dcj n PHE 5 N -3.31 0.47 -0.66 1.13 3.01 -1.26 -4.85 117.46 111.98 1dcj n PHE 5 Ca -0.00 -0.18 -0.23 0.00 1.01 0.00 0.00 57.45 58.04 1dcj n PHE 5 Cb 0.89 -0.12 0.12 0.00 -0.01 0.00 0.00 39.48 40.36 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 0.17 -2.74 -4.46 4.37 7.64 -1.19 -4.39 113.62 113.02 1dcj n SER 6 Ca 0.08 -0.22 -0.45 0.00 1.01 0.00 0.00 58.87 59.29 1dcj n SER 6 Cb 0.37 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 1dcj n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1dcj n SER 7 N -0.15 1.27 -4.80 6.43 7.64 -1.26 -4.87 113.62 117.88 1dcj n SER 7 Ca 0.03 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.78 1dcj n SER 7 Cb 0.45 -1.15 0.10 0.00 -1.01 0.00 0.00 64.21 62.60 1dcj n SER 7 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1dcj s PRO 8 N 7.68 1.97 0.38 1.43 0.04 -1.26 -4.96 135.00 140.27 1dcj s PRO 8 Ca 1.19 0.58 0.20 0.00 0.04 0.00 0.00 61.00 63.01 1dcj s PRO 8 Cb -0.96 -1.91 0.45 0.00 0.04 0.00 0.00 34.50 32.12 1dcj s PRO 8 CO 0.47 -1.69 1.62 -0.44 0.04 0.00 0.00 177.00 177.00 1dcj h ASP 9 N -1.14 0.00 -5.50 6.66 5.19 -1.74 -3.47 116.42 116.43 1dcj h ASP 9 Ca -0.47 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.73 1dcj h ASP 9 Cb 1.28 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.67 1dcj h ASP 9 CO 0.60 0.28 -0.38 -1.00 -3.12 0.00 0.00 179.24 175.62 1dcj s HIS 10 N -3.26 0.95 0.11 4.55 3.76 -0.63 -4.98 115.29 115.79 1dcj s HIS 10 Ca 0.03 -1.19 -0.07 0.00 -0.15 0.00 0.00 55.06 53.69 1dcj s HIS 10 Cb 0.08 -0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 1dcj s HIS 10 CO 0.69 -0.86 0.17 0.99 -0.85 0.00 0.00 174.74 174.88 1dcj s THR 11 N -3.86 0.13 -0.23 1.30 2.01 -1.26 -1.12 115.64 112.61 1dcj s THR 11 Ca 0.33 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 1dcj s THR 11 Cb 0.03 -1.56 0.11 0.00 0.01 0.00 0.00 72.50 71.09 1dcj s THR 11 CO 0.14 -0.59 0.26 -0.22 -0.69 0.00 0.00 174.62 173.52 1dcj s LEU 12 N -2.91 -0.22 0.11 4.42 2.96 0.12 -4.87 118.68 118.30 1dcj s LEU 12 Ca 0.10 -0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 1dcj s LEU 12 Cb 0.05 0.52 -0.07 0.00 0.50 0.00 0.00 46.19 47.20 1dcj s LEU 12 CO -0.07 -0.34 1.16 -0.62 -1.32 0.00 0.00 176.35 175.17 1dcj s ASP 13 N 2.37 7.14 -0.01 3.68 2.15 -1.26 -0.77 116.67 129.97 1dcj s ASP 13 Ca 0.08 2.06 0.02 0.00 0.43 0.00 0.00 52.55 55.15 1dcj s ASP 13 Cb -0.15 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 39.90 1dcj s ASP 13 CO -0.18 -0.37 0.88 0.00 -0.17 0.00 0.00 175.17 175.33 1dcj n ALA 14 N 3.22 1.75 -2.51 3.66 0.00 0.11 -4.84 120.51 121.90 1dcj n ALA 14 Ca 0.06 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1dcj n ALA 14 Cb 0.46 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.29 3.42 0.00 0.00 1.43 -1.25 -1.43 118.68 120.56 1dcj s LEU 15 Ca 0.03 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1dcj s LEU 15 Cb 0.02 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1dcj s LEU 15 CO 0.00 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.61 1dcj n GLY 16 N 5.15 0.39 3.87 -3.19 0.00 -1.26 -4.83 105.19 105.31 1dcj n GLY 16 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 4.26 0.00 0.99 1.43 -0.51 -4.97 118.68 119.88 1dcj s LEU 17 Ca 0.00 0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 1dcj s LEU 17 Cb 0.00 -3.40 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 1dcj s LEU 17 CO 0.00 0.04 0.07 0.00 0.23 0.00 0.00 176.35 176.68 1dcj s ARG 18 N -2.38 0.35 0.30 1.70 1.70 -1.26 -4.11 118.95 115.25 1dcj s ARG 18 Ca 0.41 -0.37 -0.27 0.00 -0.47 0.00 0.00 55.73 55.04 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 0.20 -0.07 0.80 0.00 -1.08 0.00 0.00 175.30 175.15 1dcj n PRO 20 N 0.73 1.64 -0.17 0.00 -0.04 -1.26 -4.91 135.00 130.99 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 0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.01 0.18 0.37 0.54 5.08 -0.71 0.57 114.58 122.62 1dcj h GLU 21 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1dcj h GLU 21 Cb 0.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dcj h GLU 21 CO 0.00 0.12 -0.18 -1.00 -1.00 0.00 0.00 179.01 176.95 1dcj h PRO 22 N 0.19 -0.48 -0.72 2.33 0.13 -1.87 -0.71 132.00 130.88 1dcj h PRO 22 Ca 0.27 0.03 0.21 0.00 -0.87 0.00 0.00 66.00 65.64 1dcj h PRO 22 Cb 0.39 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1dcj h PRO 22 CO -0.39 -0.32 0.79 0.28 -0.23 0.00 0.00 178.00 178.13 1dcj h VAL 23 N -0.84 0.21 -0.06 1.56 2.07 -1.86 0.62 116.25 117.95 1dcj h VAL 23 Ca -0.05 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 1dcj h VAL 23 Cb 0.38 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1dcj h VAL 23 CO 0.08 0.00 -0.63 0.24 0.02 0.00 0.00 177.57 177.28 1dcj h MET 24 N 0.00 0.53 -0.63 1.57 2.86 0.66 -2.73 114.93 117.19 1dcj h MET 24 Ca 0.34 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1dcj h MET 24 Cb 1.92 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.67 1dcj h MET 24 CO -0.00 1.12 0.39 0.52 1.06 0.00 0.00 176.91 180.00 1dcj h MET 25 N 0.11 0.85 0.00 1.72 2.86 0.18 -0.14 114.93 120.51 1dcj h MET 25 Ca -0.06 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1dcj h MET 25 Cb 1.30 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1dcj h MET 25 CO 0.13 0.60 -0.11 0.28 1.06 0.00 0.00 176.91 178.87 1dcj h VAL 26 N 0.85 0.87 0.58 -2.22 2.07 -1.43 -0.24 116.25 116.73 1dcj h VAL 26 Ca 0.23 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1dcj h VAL 26 Cb -0.04 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1dcj h VAL 26 CO -0.04 0.11 -0.28 0.03 0.02 0.00 0.00 177.57 177.40 1dcj h ARG 27 N 0.00 -0.75 -0.54 1.57 2.47 -0.71 0.78 114.38 117.21 1dcj h ARG 27 Ca -0.00 0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1dcj h ARG 27 Cb 0.22 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1dcj h ARG 27 CO 0.01 -0.44 0.18 0.87 0.56 0.00 0.00 179.97 181.15 1dcj h LYS 28 N -1.07 0.80 -0.18 0.04 1.57 -1.27 0.34 116.57 116.81 1dcj h LYS 28 Ca -0.08 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1dcj h LYS 28 Cb 0.65 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1dcj h LYS 28 CO 0.13 0.69 -0.30 1.15 -0.57 0.00 0.00 179.45 180.55 1dcj h THR 29 N 0.79 1.27 0.00 -0.16 2.02 -0.99 0.60 112.91 116.45 1dcj h THR 29 Ca 0.18 -1.31 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 1dcj h THR 29 Cb 0.22 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1dcj h THR 29 CO -0.01 0.40 -0.51 0.58 0.37 0.00 0.00 175.52 176.35 1dcj h VAL 30 N 0.31 1.34 -0.01 3.16 2.07 0.26 0.39 116.25 123.77 1dcj h VAL 30 Ca 0.04 -1.78 -0.17 0.00 0.82 0.00 0.00 66.70 65.62 1dcj h VAL 30 Cb 0.69 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1dcj h VAL 30 CO 0.05 0.50 -0.75 0.03 0.02 0.00 0.00 177.57 177.43 1dcj h ARG 31 N 0.00 0.11 -0.29 1.57 3.08 0.12 -3.05 114.38 115.93 1dcj h ARG 31 Ca -0.01 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1dcj h ARG 31 Cb 0.93 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1dcj h ARG 31 CO 0.07 0.81 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 1dcj n ASN 32 N -3.71 3.31 -4.94 7.04 6.94 0.04 -4.95 115.26 118.98 1dcj n ASN 32 Ca -0.02 -1.98 -0.24 0.00 -0.02 0.00 0.00 54.58 52.32 1dcj n ASN 32 Cb 0.72 -0.18 0.06 0.00 -2.36 0.00 0.00 39.78 38.01 1dcj n ASN 32 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1dcj s MET 33 N -1.58 2.34 0.13 -3.83 -1.94 0.13 -5.04 119.30 109.51 1dcj s MET 33 Ca 0.35 -0.40 0.08 0.00 -1.71 0.00 0.00 55.69 54.00 1dcj s MET 33 Cb 0.21 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1dcj s MET 33 CO 0.30 -1.04 -0.18 -0.65 -0.01 0.00 0.00 175.02 173.44 1dcj s GLN 34 N -5.08 1.13 -0.11 2.03 1.11 -1.26 -4.97 119.66 112.50 1dcj s GLN 34 Ca 0.59 -1.25 -0.29 0.00 0.01 0.00 0.00 55.36 54.42 1dcj s GLN 34 Cb -0.11 -1.21 -0.03 0.00 -1.01 0.00 0.00 33.01 30.65 1dcj s GLN 34 CO 0.43 0.26 1.44 -1.25 0.01 0.00 0.00 175.29 176.17 1dcj s PRO 35 N -2.37 4.21 0.00 2.91 0.04 -1.26 -2.43 135.00 136.10 1dcj s PRO 35 Ca 0.09 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1dcj s PRO 35 Cb -0.07 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1dcj s PRO 35 CO 0.05 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1dcj n GLY 36 N 3.84 1.55 1.83 0.56 0.00 -0.04 -4.94 105.19 107.98 1dcj n GLY 36 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.17 1.26 -4.06 1.61 1.02 -1.02 -4.97 120.64 113.31 1dcj n GLU 37 Ca 0.00 -1.86 -0.09 0.00 -0.02 0.00 0.00 57.16 55.19 1dcj n GLU 37 Cb 0.00 0.59 -0.11 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 -2.01 0.30 -0.14 2.62 -4.23 -1.26 -1.62 115.64 109.30 1dcj s THR 38 Ca 0.02 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1dcj s THR 38 Cb 0.00 -1.02 0.07 0.00 1.34 0.00 0.00 72.50 72.89 1dcj s THR 38 CO 0.01 -0.74 0.23 -0.22 -0.54 0.00 0.00 174.62 173.37 1dcj s LEU 39 N -2.30 -0.22 0.18 4.79 2.96 -0.85 -1.60 118.68 121.64 1dcj s LEU 39 Ca -0.02 0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 54.04 1dcj s LEU 39 Cb -0.01 0.54 -0.08 0.00 0.50 0.00 0.00 46.19 47.15 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 2.37 4.37 -0.04 -0.68 2.96 -0.28 -0.71 118.68 126.68 1dcj s LEU 40 Ca 0.03 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.24 1dcj s LEU 40 Cb -0.13 -3.40 0.03 0.00 0.50 0.00 0.00 46.19 43.19 1dcj s LEU 40 CO -0.09 0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.43 1dcj s ILE 41 N -1.44 0.05 0.26 6.68 1.01 -0.66 0.14 121.20 127.24 1dcj s ILE 41 Ca 0.40 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.36 1dcj s ILE 41 Cb -0.17 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1dcj s ILE 41 CO 0.20 0.18 0.39 -0.63 0.00 0.00 0.00 174.94 175.09 1dcj s ILE 42 N 1.77 5.23 -0.29 2.92 1.01 0.05 -0.94 121.20 130.95 1dcj s ILE 42 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1dcj s ILE 42 Cb -0.12 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.60 1dcj s ILE 42 CO -0.03 -0.37 0.77 0.00 0.00 0.00 0.00 174.94 175.31 1dcj s ALA 43 N -2.04 -2.08 -0.09 9.38 0.00 0.00 0.07 121.76 127.01 1dcj s ALA 43 Ca 0.35 2.33 0.17 0.00 0.00 0.00 0.00 51.96 54.81 1dcj s ALA 43 Cb -0.09 -1.63 -0.26 0.00 0.00 0.00 0.00 23.12 21.14 1dcj s ALA 43 CO 0.30 -0.55 0.26 -0.40 0.00 0.00 0.00 175.76 175.38 1dcj n ASP 44 N 4.50 0.70 -4.77 0.00 5.68 -1.02 -0.28 116.55 121.37 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 1.46 0.02 0.00 -1.14 0.00 0.00 41.12 42.02 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 -4.58 5.85 0.43 -1.12 2.15 -1.23 -4.87 116.67 113.30 1dcj s ASP 45 Ca -0.08 2.96 0.25 0.00 0.43 0.00 0.00 52.55 56.12 1dcj s ASP 45 Cb 0.09 -2.66 0.60 0.00 -0.30 0.00 0.00 42.92 40.66 1dcj s ASP 45 CO 0.75 -1.20 1.70 1.55 -0.17 0.00 0.00 175.17 177.80 1dcj h PRO 46 N 2.32 0.00 -0.01 4.34 0.13 -1.91 -3.07 132.00 133.80 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 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 2.79 0.03 -0.56 0.00 -1.26 -4.00 120.51 115.45 1dcj n ALA 47 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1dcj n ALA 47 Cb 0.47 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 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 1.72 0.92 -0.51 0.00 1.35 -1.86 -0.65 112.91 113.88 1dcj h THR 48 Ca 0.00 -2.43 0.11 0.00 -0.55 0.00 0.00 66.41 63.55 1dcj h THR 48 Cb 0.48 2.68 -0.03 0.00 -1.73 0.00 0.00 68.15 69.56 1dcj h THR 48 CO 0.00 0.79 0.35 0.71 -0.25 0.00 0.00 175.52 177.12 1dcj h THR 49 N -0.10 0.83 0.03 6.82 1.35 -1.71 0.58 112.91 120.72 1dcj h THR 49 Ca -0.34 -0.06 -0.37 0.00 -0.55 0.00 0.00 66.41 65.08 1dcj h THR 49 Cb 1.93 0.63 -0.06 0.00 -1.73 0.00 0.00 68.15 68.92 1dcj h THR 49 CO 0.10 0.03 -2.29 0.54 -0.25 0.00 0.00 175.52 173.66 1dcj n ARG 50 N -4.44 0.68 -0.04 4.72 1.74 -1.25 -4.44 116.66 113.63 1dcj n ARG 50 Ca 0.08 0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 57.11 1dcj n ARG 50 Cb 0.45 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.22 -0.21 0.55 5.19 -0.85 -2.80 116.42 118.53 1dcj h ASP 51 Ca -0.51 -0.74 0.05 0.00 -0.62 0.00 0.00 57.03 55.21 1dcj h ASP 51 Cb 2.01 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 41.40 1dcj h ASP 51 CO -0.01 1.61 -0.11 0.40 -3.12 0.00 0.00 179.24 178.01 1dcj h ILE 52 N -0.52 0.66 -0.00 0.35 2.04 -1.03 0.62 117.51 119.63 1dcj h ILE 52 Ca -0.34 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1dcj h ILE 52 Cb 1.61 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 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 -0.08 0.01 -0.50 2.37 0.13 -1.76 -2.34 132.00 129.83 1dcj h PRO 53 Ca 0.12 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.38 1dcj h PRO 53 Cb 0.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 1dcj h PRO 53 CO -0.27 0.66 0.62 0.78 -0.23 0.00 0.00 178.00 179.56 1dcj h GLY 54 N -0.63 0.00 0.12 1.56 0.00 -1.32 0.21 103.07 103.02 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 -0.02 -2.75 0.00 0.00 0.00 176.54 173.78 1dcj h PHE 55 N 0.00 -0.04 -0.90 5.60 3.57 -0.54 -3.02 116.94 121.61 1dcj h PHE 55 Ca 0.24 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.88 1dcj h PHE 55 Cb 1.48 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.16 1dcj h PHE 55 CO 0.00 0.61 0.58 0.00 -2.23 0.00 0.00 178.31 177.27 1dcj h THR 57 N 0.68 1.23 -0.00 0.00 2.02 -1.25 -0.20 112.91 115.39 1dcj h THR 57 Ca 0.46 -1.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 1dcj h THR 57 Cb 0.75 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1dcj h THR 57 CO -0.21 0.33 -0.70 0.15 0.37 0.00 0.00 175.52 175.45 1dcj h PHE 58 N 0.25 0.02 -0.22 3.16 3.04 -0.53 -3.11 116.94 119.54 1dcj h PHE 58 Ca 0.04 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1dcj h PHE 58 Cb 0.53 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1dcj h PHE 58 CO 0.01 0.71 0.00 -1.33 -2.02 0.00 0.00 178.31 175.68 1dcj n MET 59 N -3.71 1.75 -1.34 1.11 2.81 -0.88 -4.89 117.12 111.97 1dcj n MET 59 Ca -0.01 -1.14 0.00 0.00 -1.81 0.00 0.00 57.70 54.74 1dcj n MET 59 Cb 0.69 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 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 0.37 0.00 -2.82 0.03 -0.58 -1.16 -4.85 120.64 111.63 1dcj n GLU 60 Ca 0.15 0.14 -0.20 0.00 -0.42 0.00 0.00 57.16 56.82 1dcj n GLU 60 Cb 0.31 -2.97 0.05 0.00 -0.57 0.00 0.00 31.44 28.27 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 2.13 -0.01 -0.32 3.76 -0.11 -2.40 115.29 116.35 1dcj s HIS 61 Ca 0.00 -0.36 0.07 0.00 -0.15 0.00 0.00 55.06 54.62 1dcj s HIS 61 Cb 0.00 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 1dcj s HIS 61 CO 0.00 -1.05 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.40 1dcj s GLU 62 N -4.73 1.81 -0.65 1.40 8.01 -0.66 -4.47 118.70 119.40 1dcj s GLU 62 Ca 0.60 -0.84 -0.24 0.00 0.01 0.00 0.00 54.97 54.50 1dcj s GLU 62 Cb -0.08 -1.78 0.05 0.00 -4.31 0.00 0.00 34.13 28.02 1dcj s GLU 62 CO 0.39 0.48 1.04 -1.17 0.01 0.00 0.00 175.26 176.01 1dcj s LEU 63 N -0.63 4.00 -0.05 1.80 2.96 -1.26 0.57 118.68 126.08 1dcj s LEU 63 Ca 0.09 -0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 53.06 1dcj s LEU 63 Cb -0.09 -2.58 -0.22 0.00 0.50 0.00 0.00 46.19 43.81 1dcj s LEU 63 CO -0.01 -1.48 1.15 0.58 -1.32 0.00 0.00 176.35 175.27 1dcj h VAL 64 N 6.00 1.49 -3.00 1.68 2.07 -0.76 -3.46 116.25 120.27 1dcj h VAL 64 Ca -0.28 -1.44 -0.19 0.00 0.82 0.00 0.00 66.70 65.61 1dcj h VAL 64 Cb 1.07 2.47 -0.30 0.00 -1.52 0.00 0.00 31.29 33.01 1dcj h VAL 64 CO 1.18 0.37 -0.47 0.00 0.02 0.00 0.00 177.57 178.67 1dcj s ALA 65 N -3.76 -0.59 0.26 1.67 0.00 -1.16 -4.90 121.76 113.28 1dcj s ALA 65 Ca -0.17 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.87 1dcj s ALA 65 Cb 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1dcj s ALA 65 CO 0.68 -0.20 0.39 0.15 0.00 0.00 0.00 175.76 176.78 1dcj s LYS 66 N 1.26 3.41 -0.16 0.00 3.01 -1.26 0.74 119.74 126.73 1dcj s LYS 66 Ca -0.09 -0.75 -0.04 0.00 -1.01 0.00 0.00 55.97 54.08 1dcj s LYS 66 Cb -0.10 -2.86 0.06 0.00 -1.01 0.00 0.00 37.83 33.91 1dcj s LYS 66 CO -0.09 0.36 0.07 -1.21 0.51 0.00 0.00 175.35 175.00 1dcj s GLU 67 N -4.03 0.19 -0.09 1.68 0.41 0.51 -4.89 118.70 112.49 1dcj s GLU 67 Ca 0.36 -0.09 0.23 0.00 -0.41 0.00 0.00 54.97 55.05 1dcj s GLU 67 Cb -0.09 -1.71 0.45 0.00 -1.78 0.00 0.00 34.13 31.00 1dcj s GLU 67 CO 0.30 -0.61 1.16 0.25 -0.49 0.00 0.00 175.26 175.87 1dcj n THR 68 N 5.23 0.61 1.87 3.63 -2.24 -1.26 -1.56 114.28 120.55 1dcj n THR 68 Ca -0.07 -1.77 0.07 0.00 -2.27 0.00 0.00 64.05 60.00 1dcj n THR 68 Cb 0.49 0.85 0.39 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.04 0.00 0.00 3.42 8.00 -1.26 -4.85 116.55 121.91 1dcj n ASP 69 Ca 0.09 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1dcj n ASP 69 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.62 3.98 2.62 0.44 0.00 -1.26 -5.09 105.19 106.51 1dcj n GLY 70 Ca 0.10 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.14 -4.82 0.99 4.77 -1.26 -4.44 117.00 110.10 1dcj n LEU 71 Ca 0.00 0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 56.31 1dcj n LEU 71 Cb 0.00 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 1dcj n LEU 71 CO 0.00 -3.23 0.57 -2.16 -1.33 0.00 0.00 177.39 171.25 1dcj s PRO 72 N -0.79 4.24 0.84 3.23 0.04 -1.26 -5.13 135.00 136.17 1dcj s PRO 72 Ca 0.47 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 1dcj s PRO 72 Cb -0.53 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 31.69 1dcj s PRO 72 CO 0.49 0.11 1.10 0.71 0.04 0.00 0.00 177.00 179.45 1dcj s TYR 73 N -1.97 2.63 0.01 0.56 2.02 0.62 -4.76 117.35 116.46 1dcj s TYR 73 Ca 0.56 1.16 -0.12 0.00 -0.37 0.00 0.00 57.07 58.30 1dcj s TYR 73 Cb -0.12 -3.16 0.01 0.00 -0.40 0.00 0.00 41.96 38.30 1dcj s TYR 73 CO 0.17 -2.04 0.25 1.03 -1.57 0.00 0.00 175.55 173.39 1dcj s ARG 74 N -5.09 0.66 -0.20 -0.62 0.52 -0.60 -0.82 118.95 112.80 1dcj s ARG 74 Ca 0.62 -0.37 -0.08 0.00 -0.52 0.00 0.00 55.73 55.38 1dcj s ARG 74 Cb -0.16 0.28 0.08 0.00 0.52 0.00 0.00 34.95 35.68 1dcj s ARG 74 CO 0.55 -0.18 0.45 0.71 0.02 0.00 0.00 175.30 176.85 1dcj s TYR 75 N -1.76 -0.79 0.31 -0.53 2.02 -0.12 0.19 117.35 116.67 1dcj s TYR 75 Ca -0.11 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.04 1dcj s TYR 75 Cb -0.04 0.35 -0.07 0.00 -0.40 0.00 0.00 41.96 41.80 1dcj s TYR 75 CO 0.01 -0.45 0.65 -1.17 -1.57 0.00 0.00 175.55 173.02 1dcj s LEU 76 N 2.19 4.04 -0.20 -1.29 2.96 0.23 -1.65 118.68 124.95 1dcj s LEU 76 Ca -0.05 1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1dcj s LEU 76 Cb -0.10 -3.84 0.09 0.00 0.50 0.00 0.00 46.19 42.83 1dcj s LEU 76 CO -0.14 -0.21 0.19 -0.63 -1.32 0.00 0.00 176.35 174.25 1dcj s ILE 77 N -2.04 -0.27 -0.27 6.68 1.01 0.12 -0.03 121.20 126.40 1dcj s ILE 77 Ca 0.50 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 1dcj s ILE 77 Cb -0.11 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 1dcj s ILE 77 CO 0.24 -0.25 1.52 -0.60 0.00 0.00 0.00 174.94 175.85 1dcj s ARG 78 N 2.28 3.77 0.28 2.79 3.52 0.19 -2.02 118.95 129.77 1dcj s ARG 78 Ca 0.06 1.45 -0.30 0.00 -0.13 0.00 0.00 55.73 56.81 1dcj s ARG 78 Cb -0.16 -4.00 -0.12 0.00 -1.56 0.00 0.00 34.95 29.11 1dcj s ARG 78 CO -0.13 -1.32 1.55 1.17 -0.81 0.00 0.00 175.30 175.76 1dcj n LYS 79 N 7.67 2.55 -2.42 5.12 3.00 -0.64 -1.66 118.16 131.78 1dcj n LYS 79 Ca 0.18 0.91 0.01 0.00 -0.00 0.00 0.00 58.31 59.40 1dcj n LYS 79 Cb 0.46 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.83 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 2.14 0.51 0.00 3.14 0.00 -1.26 -0.86 105.19 108.86 1dcj n GLY 80 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93