#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 4.16 -0.72 3.17 -4.23 -1.26 -5.06 115.64 111.71 1dcj s THR 2 Ca 0.00 -1.50 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 1dcj s THR 2 Cb 0.00 -3.27 0.09 0.00 1.34 0.00 0.00 72.50 70.66 1dcj s THR 2 CO 0.00 -0.34 0.96 -1.81 -0.54 0.00 0.00 174.62 172.89 1dcj s ASP 3 N -3.82 6.30 -0.00 3.99 1.01 -1.26 -4.79 116.67 118.10 1dcj s ASP 3 Ca 0.33 -1.36 0.22 0.00 0.71 0.00 0.00 52.55 52.44 1dcj s ASP 3 Cb -0.07 -2.39 -0.17 0.00 1.01 0.00 0.00 42.92 41.29 1dcj s ASP 3 CO 0.24 -1.28 0.89 0.18 0.21 0.00 0.00 175.17 175.41 1dcj n LEU 4 N 7.13 0.80 -0.76 1.23 4.77 -1.26 -4.08 117.00 124.83 1dcj n LEU 4 Ca 0.03 -0.36 0.03 0.00 -0.03 0.00 0.00 56.01 55.68 1dcj n LEU 4 Cb 0.46 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.65 1dcj n LEU 4 CO 0.59 0.19 0.51 0.49 -1.33 0.00 0.00 177.39 177.84 1dcj n PHE 5 N -1.64 0.55 -0.73 -1.77 3.01 -1.26 -4.83 117.46 110.78 1dcj n PHE 5 Ca 0.03 -0.21 -0.23 0.00 1.01 0.00 0.00 57.45 58.05 1dcj n PHE 5 Cb 0.37 -0.14 0.09 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.21 -2.67 -4.47 4.37 2.88 -1.26 -4.37 113.62 108.31 1dcj n SER 6 Ca 0.09 -0.15 -0.44 0.00 -1.33 0.00 0.00 58.87 57.03 1dcj n SER 6 Cb 0.42 -0.68 -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 0.80 1.21 -4.81 -3.46 3.41 -1.26 -4.87 113.62 104.65 1dcj n SER 7 Ca 0.01 0.14 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 1dcj n SER 7 Cb 0.45 -1.14 0.11 0.00 -0.26 0.00 0.00 64.21 63.37 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 7.84 1.59 0.34 4.33 0.04 -1.26 -4.97 135.00 142.91 1dcj s PRO 8 Ca 1.20 0.40 0.18 0.00 0.04 0.00 0.00 61.00 62.82 1dcj s PRO 8 Cb -0.96 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 31.88 1dcj s PRO 8 CO 0.46 -1.91 1.50 -0.44 0.04 0.00 0.00 177.00 176.65 1dcj h ASP 9 N -1.29 0.00 -5.51 6.66 5.19 -1.52 -3.47 116.42 116.47 1dcj h ASP 9 Ca -0.49 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.68 1dcj h ASP 9 Cb 1.31 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.72 1dcj h ASP 9 CO 0.61 0.29 -0.27 -1.00 -3.12 0.00 0.00 179.24 175.75 1dcj s HIS 10 N -3.07 1.00 0.10 4.55 3.76 -0.36 -4.97 115.29 116.31 1dcj s HIS 10 Ca 0.05 -1.22 -0.07 0.00 -0.15 0.00 0.00 55.06 53.67 1dcj s HIS 10 Cb 0.06 -0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.58 1dcj s HIS 10 CO 0.72 -1.00 0.17 0.99 -0.85 0.00 0.00 174.74 174.77 1dcj s THR 11 N -3.47 0.13 -0.20 1.30 2.01 -1.26 -1.08 115.64 113.07 1dcj s THR 11 Ca 0.31 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 1dcj s THR 11 Cb 0.01 -1.53 0.10 0.00 0.01 0.00 0.00 72.50 71.09 1dcj s THR 11 CO 0.17 -0.61 0.27 -0.22 -0.69 0.00 0.00 174.62 173.54 1dcj s LEU 12 N -2.91 -0.27 0.25 4.42 2.96 0.11 -4.86 118.68 118.38 1dcj s LEU 12 Ca 0.09 0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 1dcj s LEU 12 Cb 0.05 0.62 -0.09 0.00 0.50 0.00 0.00 46.19 47.27 1dcj s LEU 12 CO -0.07 -0.31 0.94 -0.62 -1.32 0.00 0.00 176.35 174.97 1dcj s ASP 13 N 2.40 7.60 0.00 3.68 2.15 -1.26 -0.69 116.67 130.54 1dcj s ASP 13 Ca 0.08 1.94 0.00 0.00 0.43 0.00 0.00 52.55 54.99 1dcj s ASP 13 Cb -0.15 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1dcj s ASP 13 CO -0.12 0.12 0.84 0.00 -0.17 0.00 0.00 175.17 175.83 1dcj n ALA 14 N 1.35 1.95 -2.46 3.66 0.00 0.52 -4.82 120.51 120.71 1dcj n ALA 14 Ca -0.01 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1dcj n ALA 14 Cb 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 3.65 0.00 0.00 1.43 -1.25 -1.43 118.68 121.08 1dcj s LEU 15 Ca 0.00 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1dcj s LEU 15 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1dcj s LEU 15 CO 0.00 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.89 1dcj n GLY 16 N 4.85 1.02 3.86 -3.19 0.00 -1.26 -4.80 105.19 105.67 1dcj n GLY 16 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 4.25 0.00 0.99 1.43 -0.52 -4.94 118.68 119.90 1dcj s LEU 17 Ca 0.00 0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 54.05 1dcj s LEU 17 Cb 0.00 -3.47 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 1dcj s LEU 17 CO 0.00 0.02 0.08 0.00 0.23 0.00 0.00 176.35 176.67 1dcj s ARG 18 N -2.38 0.36 0.31 1.70 1.70 -1.26 -4.06 118.95 115.31 1dcj s ARG 18 Ca 0.42 -0.37 -0.26 0.00 -0.47 0.00 0.00 55.73 55.05 1dcj s ARG 18 Cb -0.13 0.15 -0.14 0.00 -0.57 0.00 0.00 34.95 34.25 1dcj s ARG 18 CO 0.20 -0.08 0.78 0.00 -1.08 0.00 0.00 175.30 175.12 1dcj n PRO 20 N 0.74 1.62 -0.15 0.00 -0.04 -1.26 -4.91 135.00 131.00 1dcj n PRO 20 Ca 0.12 -0.93 -0.03 0.00 -0.04 0.00 0.00 63.50 62.62 1dcj n PRO 20 Cb 0.32 -1.40 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.95 0.20 0.34 0.54 5.08 -0.79 0.67 114.58 122.58 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 0.43 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1dcj h GLU 21 CO 0.00 0.13 -0.16 -1.00 -1.00 0.00 0.00 179.01 176.98 1dcj h PRO 22 N 0.21 -0.44 -0.72 2.33 0.13 -1.86 -1.13 132.00 130.52 1dcj h PRO 22 Ca 0.24 0.03 0.21 0.00 -0.87 0.00 0.00 66.00 65.61 1dcj h PRO 22 Cb 0.33 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1dcj h PRO 22 CO -0.33 -0.29 0.79 0.28 -0.23 0.00 0.00 178.00 178.21 1dcj h VAL 23 N -0.82 0.21 -0.08 1.56 2.07 -1.87 0.59 116.25 117.90 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 0.35 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1dcj h VAL 23 CO 0.08 0.00 -0.58 0.24 0.02 0.00 0.00 177.57 177.33 1dcj h MET 24 N 0.00 0.53 -0.67 1.57 2.86 0.84 -2.78 114.93 117.28 1dcj h MET 24 Ca 0.34 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1dcj h MET 24 Cb 1.92 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 33.66 1dcj h MET 24 CO -0.00 1.10 0.43 0.52 1.06 0.00 0.00 176.91 180.01 1dcj h MET 25 N 0.12 0.89 0.00 1.72 2.86 0.14 -0.39 114.93 120.28 1dcj h MET 25 Ca -0.05 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1dcj h MET 25 Cb 1.24 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1dcj h MET 25 CO 0.12 0.61 -0.12 0.28 1.06 0.00 0.00 176.91 178.86 1dcj h VAL 26 N 0.91 0.95 0.41 -2.22 2.07 -1.46 -1.20 116.25 115.71 1dcj h VAL 26 Ca 0.24 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1dcj h VAL 26 Cb -0.08 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1dcj h VAL 26 CO -0.05 0.11 -0.20 0.03 0.02 0.00 0.00 177.57 177.49 1dcj h ARG 27 N 0.00 -0.53 -0.46 1.57 2.47 -0.78 0.76 114.38 117.41 1dcj h ARG 27 Ca -0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1dcj h ARG 27 Cb 0.22 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1dcj h ARG 27 CO 0.02 -0.24 0.30 0.87 0.56 0.00 0.00 179.97 181.47 1dcj h LYS 28 N -0.79 0.60 -0.40 0.04 1.79 -1.21 0.45 116.57 117.04 1dcj h LYS 28 Ca -0.06 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1dcj h LYS 28 Cb 0.54 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1dcj h LYS 28 CO 0.09 0.41 0.14 1.15 -1.08 0.00 0.00 179.45 180.16 1dcj h THR 29 N 0.61 1.16 0.00 -0.16 2.02 -1.18 0.28 112.91 115.65 1dcj h THR 29 Ca 0.17 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1dcj h THR 29 Cb -0.06 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1dcj h THR 29 CO -0.03 0.20 -0.43 0.58 0.37 0.00 0.00 175.52 176.21 1dcj h VAL 30 N 0.57 1.20 0.00 3.16 2.07 0.23 0.80 116.25 124.28 1dcj h VAL 30 Ca 0.14 -1.51 -0.16 0.00 0.82 0.00 0.00 66.70 65.98 1dcj h VAL 30 Cb 0.15 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1dcj h VAL 30 CO -0.01 0.42 -0.77 0.03 0.02 0.00 0.00 177.57 177.26 1dcj h ARG 31 N 0.00 0.00 -0.14 1.57 3.08 0.31 -3.09 114.38 116.11 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 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1dcj h ARG 31 CO 0.06 0.77 0.00 0.27 -1.07 0.00 0.00 179.97 180.00 1dcj n ASN 32 N -3.55 2.99 -4.94 7.04 0.23 0.39 -4.96 115.26 112.46 1dcj n ASN 32 Ca -0.00 -1.93 -0.25 0.00 -0.53 0.00 0.00 54.58 51.87 1dcj n ASN 32 Cb 0.76 -0.08 0.05 0.00 -2.08 0.00 0.00 39.78 38.44 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 -1.69 2.41 0.13 -3.83 -1.94 0.27 -5.04 119.30 109.62 1dcj s MET 33 Ca 0.29 -0.34 0.07 0.00 -1.71 0.00 0.00 55.69 53.99 1dcj s MET 33 Cb 0.19 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1dcj s MET 33 CO 0.28 -1.01 -0.15 -0.65 -0.01 0.00 0.00 175.02 173.48 1dcj s GLN 34 N -5.08 1.08 -0.02 2.03 -0.21 -1.26 -4.97 119.66 111.24 1dcj s GLN 34 Ca 0.58 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 1dcj s GLN 34 Cb -0.11 -1.03 -0.06 0.00 1.00 0.00 0.00 33.01 32.82 1dcj s GLN 34 CO 0.43 0.21 1.49 -1.25 -2.12 0.00 0.00 175.29 174.05 1dcj s PRO 35 N -2.63 4.24 0.00 2.91 0.04 -1.24 -2.29 135.00 136.03 1dcj s PRO 35 Ca 0.10 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1dcj s PRO 35 Cb -0.06 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1dcj s PRO 35 CO 0.04 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1dcj n GLY 36 N 3.82 1.07 1.88 0.56 0.00 0.43 -4.96 105.19 107.99 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 -1.89 1.29 -4.01 1.61 4.71 -0.97 -4.97 120.64 116.41 1dcj n GLU 37 Ca 0.00 -1.86 -0.08 0.00 -0.01 0.00 0.00 57.16 55.21 1dcj n GLU 37 Cb 0.00 0.42 -0.11 0.00 -1.01 0.00 0.00 31.44 30.74 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 -1.78 0.14 -0.13 2.62 -4.23 -1.26 -1.91 115.64 109.09 1dcj s THR 38 Ca 0.04 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1dcj s THR 38 Cb -0.00 -0.63 0.06 0.00 1.34 0.00 0.00 72.50 73.27 1dcj s THR 38 CO 0.03 -0.64 0.18 -0.22 -0.54 0.00 0.00 174.62 173.42 1dcj s LEU 39 N -1.88 -0.05 0.18 4.79 2.96 -0.94 -1.22 118.68 122.52 1dcj s LEU 39 Ca -0.09 0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.73 1dcj s LEU 39 Cb -0.05 0.28 -0.08 0.00 0.50 0.00 0.00 46.19 46.84 1dcj s LEU 39 CO -0.04 -0.28 0.65 -0.22 -1.32 0.00 0.00 176.35 175.14 1dcj s LEU 40 N 2.29 4.35 0.05 -0.68 2.96 -0.24 -0.97 118.68 126.45 1dcj s LEU 40 Ca 0.04 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 1dcj s LEU 40 Cb -0.14 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1dcj s LEU 40 CO -0.08 0.08 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.31 1dcj s ILE 41 N -1.47 0.61 0.19 6.68 1.01 -0.71 0.05 121.20 127.56 1dcj s ILE 41 Ca 0.40 -1.22 0.08 0.00 0.00 0.00 0.00 60.65 59.91 1dcj s ILE 41 Cb -0.16 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1dcj s ILE 41 CO 0.20 -0.44 -0.15 -0.63 0.00 0.00 0.00 174.94 173.92 1dcj s ILE 42 N -1.69 1.73 -0.28 2.92 1.01 0.13 -1.29 121.20 123.73 1dcj s ILE 42 Ca -0.06 -2.11 -0.16 0.00 0.00 0.00 0.00 60.65 58.32 1dcj s ILE 42 Cb -0.08 -1.96 0.10 0.00 0.01 0.00 0.00 42.46 40.53 1dcj s ILE 42 CO -0.00 -0.52 0.77 0.00 0.00 0.00 0.00 174.94 175.19 1dcj s ALA 43 N -2.70 -2.00 -0.13 9.38 0.00 -0.03 -0.36 121.76 125.92 1dcj s ALA 43 Ca 0.20 2.36 0.15 0.00 0.00 0.00 0.00 51.96 54.67 1dcj s ALA 43 Cb -0.02 -1.52 -0.21 0.00 0.00 0.00 0.00 23.12 21.36 1dcj s ALA 43 CO 0.06 -0.38 0.13 -0.40 0.00 0.00 0.00 175.76 175.17 1dcj n ASP 44 N 4.17 1.05 -4.76 0.00 5.68 -0.97 -0.02 116.55 121.70 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 1.11 0.02 0.00 -1.14 0.00 0.00 41.12 41.69 1dcj n ASP 44 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1dcj n ASP 45 N -2.47 3.31 0.23 -1.12 2.03 -1.23 -4.85 116.55 112.45 1dcj n ASP 45 Ca -0.21 1.13 0.13 0.00 0.52 0.00 0.00 54.79 56.36 1dcj n ASP 45 Cb 0.88 -1.60 0.28 0.00 -0.72 0.00 0.00 41.12 39.97 1dcj n ASP 45 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1dcj h PRO 46 N 2.32 0.00 -0.01 -0.67 0.13 -1.91 -3.06 132.00 128.81 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 -2.09 2.80 0.04 -0.56 0.00 -1.26 -3.94 120.51 115.49 1dcj n ALA 47 Ca 0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1dcj n ALA 47 Cb 0.48 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 1.47 0.80 -0.40 0.00 1.35 -1.84 -0.85 112.91 113.44 1dcj h THR 48 Ca 0.00 -2.42 0.09 0.00 -0.55 0.00 0.00 66.41 63.53 1dcj h THR 48 Cb 0.45 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.48 1dcj h THR 48 CO 0.00 0.87 0.28 0.71 -0.25 0.00 0.00 175.52 177.13 1dcj h THR 49 N 0.06 0.87 0.03 6.82 1.35 -1.69 0.54 112.91 120.88 1dcj h THR 49 Ca -0.38 -0.05 -0.37 0.00 -0.55 0.00 0.00 66.41 65.06 1dcj h THR 49 Cb 2.05 0.71 -0.05 0.00 -1.73 0.00 0.00 68.15 69.12 1dcj h THR 49 CO 0.13 0.03 -2.29 0.54 -0.25 0.00 0.00 175.52 173.68 1dcj n ARG 50 N -4.45 0.68 -0.03 4.72 1.74 -1.25 -4.43 116.66 113.64 1dcj n ARG 50 Ca 0.06 0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 57.10 1dcj n ARG 50 Cb 0.38 -1.59 -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 -0.27 0.55 3.32 -0.92 -2.75 116.42 116.62 1dcj h ASP 51 Ca -0.51 -0.78 0.06 0.00 0.02 0.00 0.00 57.03 55.82 1dcj h ASP 51 Cb 1.99 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 41.40 1dcj h ASP 51 CO -0.01 1.59 -0.11 0.40 -1.72 0.00 0.00 179.24 179.39 1dcj h ILE 52 N -0.48 0.64 0.00 0.35 2.04 -1.04 0.83 117.51 119.84 1dcj h ILE 52 Ca -0.32 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1dcj h ILE 52 Cb 1.63 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1dcj h ILE 52 CO -0.02 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.68 1dcj h PRO 53 N -0.06 -0.00 -0.54 2.37 0.13 -1.75 -2.40 132.00 129.74 1dcj h PRO 53 Ca 0.14 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.43 1dcj h PRO 53 Cb 0.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1dcj h PRO 53 CO -0.32 0.64 0.66 0.78 -0.23 0.00 0.00 178.00 179.53 1dcj h GLY 54 N -0.65 0.00 0.14 1.56 0.00 -1.27 0.24 103.07 103.08 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 -0.02 -2.75 0.00 0.00 0.00 176.54 173.77 1dcj h PHE 55 N 0.00 -0.05 -0.92 5.60 3.57 -0.51 -2.97 116.94 121.66 1dcj h PHE 55 Ca 0.26 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.92 1dcj h PHE 55 Cb 1.57 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 40.25 1dcj h PHE 55 CO 0.00 0.56 0.59 0.00 -2.23 0.00 0.00 178.31 177.23 1dcj h THR 57 N 0.66 1.24 -0.03 0.00 2.02 -1.22 0.13 112.91 115.71 1dcj h THR 57 Ca 0.47 -1.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 1dcj h THR 57 Cb 0.82 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1dcj h THR 57 CO -0.23 0.34 -0.63 0.15 0.37 0.00 0.00 175.52 175.52 1dcj h PHE 58 N 0.30 0.13 -0.28 3.16 3.04 -0.43 -3.09 116.94 119.76 1dcj h PHE 58 Ca 0.05 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1dcj h PHE 58 Cb 0.55 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1dcj h PHE 58 CO 0.01 0.70 0.00 -1.33 -2.02 0.00 0.00 178.31 175.67 1dcj n MET 59 N -3.82 1.84 -1.29 1.11 2.81 -0.90 -4.89 117.12 111.98 1dcj n MET 59 Ca -0.02 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.58 1dcj n MET 59 Cb 0.63 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 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 0.52 0.00 -2.85 0.03 2.13 -1.16 -5.01 120.64 114.31 1dcj n GLU 60 Ca 0.15 0.16 -0.20 0.00 0.66 0.00 0.00 57.16 57.93 1dcj n GLU 60 Cb 0.34 -2.97 0.05 0.00 0.27 0.00 0.00 31.44 29.13 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 2.20 -0.01 4.31 3.76 0.01 -2.48 115.29 121.08 1dcj s HIS 61 Ca 0.00 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.60 1dcj s HIS 61 Cb 0.00 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 1dcj s HIS 61 CO 0.00 -0.97 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.49 1dcj s GLU 62 N -4.68 1.73 -0.64 1.40 0.41 -0.56 -4.42 118.70 111.93 1dcj s GLU 62 Ca 0.60 -0.82 -0.24 0.00 -0.41 0.00 0.00 54.97 54.09 1dcj s GLU 62 Cb -0.08 -1.71 0.05 0.00 -1.78 0.00 0.00 34.13 30.61 1dcj s GLU 62 CO 0.38 0.46 1.03 -1.17 -0.49 0.00 0.00 175.26 175.48 1dcj s LEU 63 N -0.64 4.00 -0.04 1.80 2.96 -1.26 0.41 118.68 125.91 1dcj s LEU 63 Ca 0.09 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 53.11 1dcj s LEU 63 Cb -0.09 -2.61 -0.21 0.00 0.50 0.00 0.00 46.19 43.79 1dcj s LEU 63 CO -0.00 -1.46 1.19 0.58 -1.32 0.00 0.00 176.35 175.34 1dcj h VAL 64 N 6.01 1.45 -2.94 1.68 2.07 -0.46 -3.46 116.25 120.60 1dcj h VAL 64 Ca -0.28 -1.36 -0.19 0.00 0.82 0.00 0.00 66.70 65.70 1dcj h VAL 64 Cb 1.07 2.35 -0.30 0.00 -1.52 0.00 0.00 31.29 32.89 1dcj h VAL 64 CO 1.17 0.36 -0.46 0.00 0.02 0.00 0.00 177.57 178.66 1dcj s ALA 65 N -3.92 -0.64 0.19 1.67 0.00 -1.16 -4.89 121.76 113.01 1dcj s ALA 65 Ca -0.16 1.08 0.04 0.00 0.00 0.00 0.00 51.96 52.91 1dcj s ALA 65 Cb 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1dcj s ALA 65 CO 0.69 -0.27 0.30 0.15 0.00 0.00 0.00 175.76 176.63 1dcj s LYS 66 N 1.44 3.39 -0.15 0.00 3.01 -1.26 0.68 119.74 126.85 1dcj s LYS 66 Ca -0.08 -0.69 -0.04 0.00 -1.01 0.00 0.00 55.97 54.15 1dcj s LYS 66 Cb -0.10 -2.91 0.05 0.00 -1.01 0.00 0.00 37.83 33.87 1dcj s LYS 66 CO -0.09 0.48 0.08 -1.21 0.51 0.00 0.00 175.35 175.12 1dcj s GLU 67 N -3.51 0.05 -0.13 1.68 8.01 0.33 -4.91 118.70 120.22 1dcj s GLU 67 Ca 0.34 0.00 0.21 0.00 0.01 0.00 0.00 54.97 55.54 1dcj s GLU 67 Cb -0.10 -1.58 0.45 0.00 -4.31 0.00 0.00 34.13 28.59 1dcj s GLU 67 CO 0.28 -0.60 1.16 0.25 0.01 0.00 0.00 175.26 176.36 1dcj n THR 68 N 5.28 0.90 1.82 3.63 -2.24 -1.26 -1.44 114.28 120.97 1dcj n THR 68 Ca -0.06 -2.15 0.08 0.00 -2.27 0.00 0.00 64.05 59.64 1dcj n THR 68 Cb 0.49 0.73 0.45 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.15 0.00 0.00 3.42 9.92 -1.26 -4.83 116.55 123.65 1dcj n ASP 69 Ca 0.11 -1.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.03 1dcj n ASP 69 Cb 0.97 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 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 0.62 3.91 2.76 0.44 0.00 -1.26 -5.10 105.19 106.56 1dcj n GLY 70 Ca 0.11 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.62 -4.81 0.99 4.77 -1.26 -4.44 117.00 109.62 1dcj n LEU 71 Ca 0.00 0.64 -0.35 0.00 -0.03 0.00 0.00 56.01 56.28 1dcj n LEU 71 Cb 0.00 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1dcj n LEU 71 CO 0.00 -3.69 0.58 -2.16 -1.33 0.00 0.00 177.39 170.80 1dcj s PRO 72 N -0.84 4.32 0.89 3.23 0.04 -1.26 -5.13 135.00 136.25 1dcj s PRO 72 Ca 0.49 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1dcj s PRO 72 Cb -0.50 -2.53 0.12 0.00 0.04 0.00 0.00 34.50 31.64 1dcj s PRO 72 CO 0.54 0.16 1.09 0.71 0.04 0.00 0.00 177.00 179.54 1dcj s TYR 73 N -1.87 2.39 0.00 0.56 2.02 0.97 -4.74 117.35 116.68 1dcj s TYR 73 Ca 0.54 1.20 -0.14 0.00 -0.37 0.00 0.00 57.07 58.30 1dcj s TYR 73 Cb -0.14 -3.17 0.02 0.00 -0.40 0.00 0.00 41.96 38.27 1dcj s TYR 73 CO 0.18 -2.34 0.29 1.03 -1.57 0.00 0.00 175.55 173.14 1dcj s ARG 74 N -4.99 0.69 -0.21 -0.62 0.52 -0.52 -0.85 118.95 112.98 1dcj s ARG 74 Ca 0.63 -0.30 -0.10 0.00 -0.52 0.00 0.00 55.73 55.45 1dcj s ARG 74 Cb -0.17 0.30 0.08 0.00 0.52 0.00 0.00 34.95 35.67 1dcj s ARG 74 CO 0.56 -0.19 0.48 0.71 0.02 0.00 0.00 175.30 176.88 1dcj s TYR 75 N -1.65 -0.79 0.31 -0.53 2.02 -0.41 0.12 117.35 116.42 1dcj s TYR 75 Ca -0.11 1.58 -0.09 0.00 -0.37 0.00 0.00 57.07 58.07 1dcj s TYR 75 Cb -0.04 0.38 -0.07 0.00 -0.40 0.00 0.00 41.96 41.83 1dcj s TYR 75 CO 0.02 -0.44 0.64 -1.17 -1.57 0.00 0.00 175.55 173.03 1dcj s LEU 76 N 1.91 4.02 -0.23 -1.29 2.96 0.21 -1.73 118.68 124.54 1dcj s LEU 76 Ca -0.07 0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1dcj s LEU 76 Cb -0.09 -3.78 0.10 0.00 0.50 0.00 0.00 46.19 42.92 1dcj s LEU 76 CO -0.14 -0.22 0.21 -0.63 -1.32 0.00 0.00 176.35 174.24 1dcj s ILE 77 N -2.08 -0.29 -0.19 6.68 1.01 -0.15 0.31 121.20 126.49 1dcj s ILE 77 Ca 0.48 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 1dcj s ILE 77 Cb -0.11 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1dcj s ILE 77 CO 0.26 -0.32 1.40 -0.60 0.00 0.00 0.00 174.94 175.69 1dcj s ARG 78 N 2.29 4.06 -0.37 2.79 3.52 0.17 -2.21 118.95 129.20 1dcj s ARG 78 Ca 0.07 1.65 -0.27 0.00 -0.13 0.00 0.00 55.73 57.04 1dcj s ARG 78 Cb -0.15 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 1dcj s ARG 78 CO -0.18 -0.94 2.10 0.21 -0.81 0.00 0.00 175.30 175.67 1dcj s LYS 79 N 3.98 2.86 0.00 5.12 2.47 -0.80 -1.50 119.74 131.87 1dcj s LYS 79 Ca 0.61 1.52 0.00 0.00 -1.56 0.00 0.00 55.97 56.54 1dcj s LYS 79 Cb -0.23 -4.38 0.00 0.00 -1.46 0.00 0.00 37.83 31.76 1dcj s LYS 79 CO 0.22 -2.41 0.00 0.41 0.16 0.00 0.00 175.35 173.73 1dcj n GLY 80 N 5.72 1.71 0.00 5.54 0.00 -1.26 -0.43 105.19 116.47 1dcj n GLY 80 Ca 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93