#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 3.98 -0.06 2.03 -1.32 -1.26 -5.00 115.64 114.02 1dcj s THR 2 Ca 0.00 1.09 -0.04 0.00 -1.21 0.00 0.00 61.69 61.53 1dcj s THR 2 Cb 0.00 -4.07 -0.04 0.00 -1.51 0.00 0.00 72.50 66.88 1dcj s THR 2 CO 0.00 -0.51 0.14 -0.62 -2.21 0.00 0.00 174.62 171.41 1dcj s ASP 3 N 3.41 6.18 0.26 8.08 2.15 -1.26 -4.99 116.67 130.50 1dcj s ASP 3 Ca 0.61 0.35 -0.02 0.00 0.43 0.00 0.00 52.55 53.92 1dcj s ASP 3 Cb -0.18 -1.93 0.35 0.00 -0.30 0.00 0.00 42.92 40.87 1dcj s ASP 3 CO 0.27 0.33 1.78 -0.07 -0.17 0.00 0.00 175.17 177.31 1dcj h LEU 4 N 4.43 0.77 -1.46 -1.34 3.38 -1.95 -1.61 115.31 117.52 1dcj h LEU 4 Ca -0.51 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1dcj h LEU 4 Cb 1.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1dcj h LEU 4 CO 0.62 0.81 0.00 0.49 0.09 0.00 0.00 178.44 180.46 1dcj n PHE 5 N -4.23 0.54 -0.71 1.13 3.01 -1.26 -4.82 117.46 111.12 1dcj n PHE 5 Ca 0.03 -0.21 -0.24 0.00 1.01 0.00 0.00 57.45 58.05 1dcj n PHE 5 Cb 0.28 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.20 -2.69 -4.46 4.37 7.64 -0.61 -4.38 113.62 113.69 1dcj n SER 6 Ca 0.09 -0.17 -0.45 0.00 1.01 0.00 0.00 58.87 59.34 1dcj n SER 6 Cb 0.42 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.43 1.28 -4.80 6.43 3.41 -1.26 -4.87 113.62 114.23 1dcj n SER 7 Ca 0.02 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 1dcj n SER 7 Cb 0.46 -1.15 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 7.64 1.74 0.39 4.33 0.04 -1.26 -4.96 135.00 142.91 1dcj s PRO 8 Ca 1.19 0.48 0.21 0.00 0.04 0.00 0.00 61.00 62.91 1dcj s PRO 8 Cb -0.96 -1.89 0.40 0.00 0.04 0.00 0.00 34.50 32.09 1dcj s PRO 8 CO 0.47 -1.82 1.61 -0.44 0.04 0.00 0.00 177.00 176.85 1dcj h ASP 9 N -1.23 0.00 -5.48 6.66 5.19 -1.12 -3.47 116.42 116.96 1dcj h ASP 9 Ca -0.48 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 55.69 1dcj h ASP 9 Cb 1.29 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.72 1dcj h ASP 9 CO 0.61 0.23 -0.22 -1.00 -3.12 0.00 0.00 179.24 175.74 1dcj s HIS 10 N -3.22 0.95 0.10 4.55 3.76 -0.41 -4.98 115.29 116.04 1dcj s HIS 10 Ca 0.04 -1.20 -0.07 0.00 -0.15 0.00 0.00 55.06 53.68 1dcj s HIS 10 Cb 0.07 -0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 1dcj s HIS 10 CO 0.68 -1.07 0.16 0.99 -0.85 0.00 0.00 174.74 174.66 1dcj s THR 11 N -3.33 0.14 -0.19 1.30 2.01 -1.26 -1.18 115.64 113.13 1dcj s THR 11 Ca 0.30 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 1dcj s THR 11 Cb 0.00 -1.50 0.09 0.00 0.01 0.00 0.00 72.50 71.11 1dcj s THR 11 CO 0.18 -0.64 0.24 -0.22 -0.69 0.00 0.00 174.62 173.49 1dcj s LEU 12 N -2.90 -0.20 0.26 4.42 2.96 0.10 -4.86 118.68 118.46 1dcj s LEU 12 Ca 0.08 -0.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 1dcj s LEU 12 Cb 0.05 0.52 -0.09 0.00 0.50 0.00 0.00 46.19 47.17 1dcj s LEU 12 CO -0.08 -0.30 0.93 -0.62 -1.32 0.00 0.00 176.35 174.96 1dcj s ASP 13 N 2.37 7.55 0.00 3.68 2.15 -1.26 -0.67 116.67 130.48 1dcj s ASP 13 Ca 0.06 1.90 0.00 0.00 0.43 0.00 0.00 52.55 54.95 1dcj s ASP 13 Cb -0.15 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1dcj s ASP 13 CO -0.12 0.10 0.88 0.00 -0.17 0.00 0.00 175.17 175.86 1dcj n ALA 14 N 1.23 2.01 -2.59 3.66 0.00 0.47 -4.82 120.51 120.45 1dcj n ALA 14 Ca -0.01 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.23 1dcj n ALA 14 Cb 0.48 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 3.62 0.00 0.00 1.43 -1.25 -1.68 118.68 120.80 1dcj s LEU 15 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1dcj s LEU 15 Cb 0.00 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1dcj s LEU 15 CO -0.00 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 175.81 1dcj n GLY 16 N 5.03 0.36 3.88 -3.19 0.00 -1.26 -4.82 105.19 105.19 1dcj n GLY 16 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.68 -4.98 118.68 119.73 1dcj s LEU 17 Ca 0.00 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1dcj s LEU 17 Cb 0.00 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.00 1dcj s LEU 17 CO 0.00 0.09 0.09 0.00 0.23 0.00 0.00 176.35 176.75 1dcj s ARG 18 N -2.38 0.36 0.31 1.70 3.03 -1.26 -4.11 118.95 116.60 1dcj s ARG 18 Ca 0.38 -0.33 -0.26 0.00 2.03 0.00 0.00 55.73 57.55 1dcj s ARG 18 Cb -0.13 0.15 -0.14 0.00 -1.03 0.00 0.00 34.95 33.80 1dcj s ARG 18 CO 0.21 -0.08 0.80 0.00 -1.13 0.00 0.00 175.30 175.11 1dcj n PRO 20 N 0.71 1.65 -0.19 0.00 -0.04 -1.26 -4.91 135.00 130.96 1dcj n PRO 20 Ca 0.12 -0.97 -0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1dcj n PRO 20 Cb 0.33 -1.40 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.02 0.23 0.45 0.54 5.08 -0.75 0.48 114.58 122.63 1dcj h GLU 21 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1dcj h GLU 21 Cb 0.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dcj h GLU 21 CO 0.00 0.15 -0.22 -1.00 -1.00 0.00 0.00 179.01 176.95 1dcj h PRO 22 N 0.24 -0.58 -0.92 2.33 0.13 -1.87 -1.30 132.00 130.02 1dcj h PRO 22 Ca 0.30 0.04 0.27 0.00 -0.87 0.00 0.00 66.00 65.73 1dcj h PRO 22 Cb 0.43 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 1dcj h PRO 22 CO -0.39 -0.39 0.88 0.28 -0.23 0.00 0.00 178.00 178.15 1dcj h VAL 23 N -1.06 0.22 -0.07 1.56 2.07 -1.85 0.67 116.25 117.78 1dcj h VAL 23 Ca -0.06 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 1dcj h VAL 23 Cb 0.46 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1dcj h VAL 23 CO 0.10 0.00 -0.67 0.24 0.02 0.00 0.00 177.57 177.26 1dcj h MET 24 N 0.00 0.58 -0.67 1.57 2.86 0.50 -2.75 114.93 117.03 1dcj h MET 24 Ca 0.44 -0.53 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1dcj h MET 24 Cb 2.19 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 33.94 1dcj h MET 24 CO -0.00 1.15 0.41 0.52 1.06 0.00 0.00 176.91 180.04 1dcj h MET 25 N 0.20 0.90 -0.03 1.72 2.86 0.15 -0.60 114.93 120.13 1dcj h MET 25 Ca -0.06 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1dcj h MET 25 Cb 1.33 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1dcj h MET 25 CO 0.14 0.64 -0.11 0.28 1.06 0.00 0.00 176.91 178.91 1dcj h VAL 26 N 0.90 1.10 0.43 -2.22 2.07 -1.44 -0.45 116.25 116.65 1dcj h VAL 26 Ca 0.24 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1dcj h VAL 26 Cb -0.04 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1dcj h VAL 26 CO -0.05 0.13 -0.21 -0.09 0.02 0.00 0.00 177.57 177.38 1dcj h ARG 27 N 0.05 -0.56 -0.68 1.57 1.12 -0.83 0.77 114.38 115.82 1dcj h ARG 27 Ca 0.01 0.04 0.08 0.00 -1.11 0.00 0.00 59.98 59.00 1dcj h ARG 27 Cb 0.23 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.27 1dcj h ARG 27 CO 0.01 -0.26 0.45 0.87 -3.11 0.00 0.00 179.97 177.93 1dcj h LYS 28 N -0.99 0.59 -0.14 0.20 1.57 -1.17 0.82 116.57 117.46 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 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1dcj h LYS 28 CO 0.10 0.39 -0.51 1.15 -0.57 0.00 0.00 179.45 180.01 1dcj h THR 29 N 0.61 1.34 0.00 -0.16 2.02 -0.96 0.20 112.91 115.95 1dcj h THR 29 Ca 0.30 -1.76 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 1dcj h THR 29 Cb 0.39 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1dcj h THR 29 CO -0.10 0.54 -0.30 0.58 0.37 0.00 0.00 175.52 176.60 1dcj h VAL 30 N 0.30 0.79 0.04 3.16 2.07 0.61 1.07 116.25 124.30 1dcj h VAL 30 Ca 0.01 -1.26 -0.23 0.00 0.82 0.00 0.00 66.70 66.04 1dcj h VAL 30 Cb 1.01 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1dcj h VAL 30 CO 0.09 0.30 -1.07 0.03 0.02 0.00 0.00 177.57 176.93 1dcj h ARG 31 N 0.00 0.10 -0.18 1.57 3.08 0.14 -3.21 114.38 115.88 1dcj h ARG 31 Ca -0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1dcj h ARG 31 Cb 0.76 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1dcj h ARG 31 CO 0.04 1.07 0.00 0.27 -1.07 0.00 0.00 179.97 180.28 1dcj n ASN 32 N -3.43 3.09 -3.88 7.04 6.94 -0.04 -4.95 115.26 120.02 1dcj n ASN 32 Ca -0.03 -1.95 -0.20 0.00 -0.02 0.00 0.00 54.58 52.39 1dcj n ASN 32 Cb 0.96 -0.10 0.11 0.00 -2.36 0.00 0.00 39.78 38.39 1dcj n ASN 32 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1dcj n MET 33 N 1.32 -0.27 -4.11 -3.83 2.81 0.37 -5.03 117.12 108.37 1dcj n MET 33 Ca 0.15 -2.02 -0.12 0.00 -1.81 0.00 0.00 57.70 53.91 1dcj n MET 33 Cb 0.57 -0.69 -0.11 0.00 -0.71 0.00 0.00 33.22 32.28 1dcj n MET 33 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1dcj s GLN 34 N -4.77 0.66 0.07 0.03 -0.21 -1.26 -4.97 119.66 109.21 1dcj s GLN 34 Ca 0.55 -1.01 -0.31 0.00 0.02 0.00 0.00 55.36 54.61 1dcj s GLN 34 Cb -0.03 -0.25 -0.07 0.00 1.00 0.00 0.00 33.01 33.67 1dcj s GLN 34 CO 0.37 0.02 1.39 -1.25 -2.12 0.00 0.00 175.29 173.70 1dcj s PRO 35 N -2.58 4.31 0.00 2.91 0.04 -1.25 -2.42 135.00 136.01 1dcj s PRO 35 Ca -0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1dcj s PRO 35 Cb -0.03 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1dcj s PRO 35 CO -0.02 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1dcj n GLY 36 N 3.54 1.09 2.11 0.56 0.00 0.63 -4.97 105.19 108.15 1dcj n GLY 36 Ca 0.12 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.81 1.23 -3.85 1.61 1.02 -1.02 -4.96 120.64 112.86 1dcj n GLU 37 Ca 0.00 -2.09 -0.12 0.00 -0.02 0.00 0.00 57.16 54.93 1dcj n GLU 37 Cb 0.05 0.48 -0.13 0.00 -0.02 0.00 0.00 31.44 31.83 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 -1.93 0.01 -0.13 2.62 -4.23 -1.26 -1.92 115.64 108.80 1dcj s THR 38 Ca 0.04 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1dcj s THR 38 Cb -0.00 -0.13 0.03 0.00 1.34 0.00 0.00 72.50 73.74 1dcj s THR 38 CO 0.03 -0.04 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.78 1dcj s LEU 39 N -0.10 1.29 0.28 4.79 2.96 -0.97 -0.49 118.68 126.44 1dcj s LEU 39 Ca -0.01 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.35 1dcj s LEU 39 Cb -0.01 -0.85 -0.08 0.00 0.50 0.00 0.00 46.19 45.75 1dcj s LEU 39 CO 0.00 -0.14 0.68 -0.22 -1.32 0.00 0.00 176.35 175.34 1dcj s LEU 40 N 1.70 4.13 0.03 -0.68 2.96 -0.33 -1.19 118.68 125.29 1dcj s LEU 40 Ca 0.04 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 1dcj s LEU 40 Cb -0.13 -3.89 -0.02 0.00 0.50 0.00 0.00 46.19 42.65 1dcj s LEU 40 CO -0.08 -0.13 0.03 -0.63 -1.32 0.00 0.00 176.35 174.22 1dcj s ILE 41 N -1.87 0.13 0.20 6.68 1.01 -0.84 0.03 121.20 126.54 1dcj s ILE 41 Ca 0.51 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1dcj s ILE 41 Cb -0.11 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1dcj s ILE 41 CO 0.19 -0.60 -0.14 -0.63 0.00 0.00 0.00 174.94 173.76 1dcj s ILE 42 N -2.21 1.67 -0.29 2.92 1.01 0.16 -1.20 121.20 123.26 1dcj s ILE 42 Ca -0.09 -2.19 -0.15 0.00 0.00 0.00 0.00 60.65 58.22 1dcj s ILE 42 Cb -0.04 -2.02 0.11 0.00 0.01 0.00 0.00 42.46 40.52 1dcj s ILE 42 CO -0.03 -0.61 0.80 0.00 0.00 0.00 0.00 174.94 175.09 1dcj s ALA 43 N -3.01 -2.08 -0.08 9.38 0.00 0.17 -0.40 121.76 125.75 1dcj s ALA 43 Ca 0.22 2.32 0.15 0.00 0.00 0.00 0.00 51.96 54.66 1dcj s ALA 43 Cb -0.00 -1.60 -0.23 0.00 0.00 0.00 0.00 23.12 21.29 1dcj s ALA 43 CO 0.06 -0.47 0.23 -0.40 0.00 0.00 0.00 175.76 175.18 1dcj n ASP 44 N 4.30 1.23 -4.77 0.00 5.68 -1.02 -0.22 116.55 121.75 1dcj n ASP 44 Ca -0.18 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.71 1dcj n ASP 44 Cb 0.57 1.39 0.01 0.00 -1.14 0.00 0.00 41.12 41.95 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 -4.30 6.02 0.41 -1.12 2.15 -1.23 -4.87 116.67 113.72 1dcj s ASP 45 Ca -0.07 2.91 0.26 0.00 0.43 0.00 0.00 52.55 56.08 1dcj s ASP 45 Cb 0.08 -2.65 0.69 0.00 -0.30 0.00 0.00 42.92 40.73 1dcj s ASP 45 CO 0.66 -1.08 1.73 1.55 -0.17 0.00 0.00 175.17 177.86 1dcj h PRO 46 N 2.50 0.00 -0.01 4.34 0.13 -1.91 -3.02 132.00 134.02 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 -0.15 0.00 -0.23 0.00 0.00 178.00 178.24 1dcj n ALA 47 N -2.02 2.86 0.05 -0.56 0.00 -1.26 -4.05 120.51 115.53 1dcj n ALA 47 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 1dcj n ALA 47 Cb 0.44 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 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 1.88 0.92 -0.59 0.00 1.35 -1.84 -0.91 112.91 113.72 1dcj h THR 48 Ca 0.00 -2.46 0.12 0.00 -0.55 0.00 0.00 66.41 63.52 1dcj h THR 48 Cb 0.53 2.72 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 1dcj h THR 48 CO 0.00 0.83 0.40 0.71 -0.25 0.00 0.00 175.52 177.21 1dcj h THR 49 N -0.00 0.85 0.04 6.82 1.35 -1.70 0.27 112.91 120.52 1dcj h THR 49 Ca -0.35 -0.11 -0.37 0.00 -0.55 0.00 0.00 66.41 65.03 1dcj h THR 49 Cb 2.01 0.51 -0.05 0.00 -1.73 0.00 0.00 68.15 68.88 1dcj h THR 49 CO 0.14 0.06 -2.28 0.54 -0.25 0.00 0.00 175.52 173.73 1dcj n ARG 50 N -4.46 0.69 -0.04 4.72 1.74 -1.25 -4.43 116.66 113.63 1dcj n ARG 50 Ca 0.10 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.16 1dcj n ARG 50 Cb 0.44 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.18 -0.46 0.55 3.32 -0.93 -2.78 116.42 116.32 1dcj h ASP 51 Ca -0.51 -0.82 0.09 0.00 0.02 0.00 0.00 57.03 55.81 1dcj h ASP 51 Cb 1.99 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 41.40 1dcj h ASP 51 CO -0.01 1.38 -0.07 0.40 -1.72 0.00 0.00 179.24 179.22 1dcj h ILE 52 N -0.70 0.58 0.01 0.35 2.04 -1.10 0.29 117.51 118.99 1dcj h ILE 52 Ca -0.21 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1dcj h ILE 52 Cb 1.40 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1dcj h ILE 52 CO -0.02 0.01 -0.01 1.55 0.00 0.00 0.00 178.15 179.68 1dcj h PRO 53 N 0.04 -0.02 -0.58 2.37 0.13 -1.74 -2.39 132.00 129.82 1dcj h PRO 53 Ca 0.22 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.52 1dcj h PRO 53 Cb 0.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1dcj h PRO 53 CO -0.44 0.59 0.68 0.78 -0.23 0.00 0.00 178.00 179.38 1dcj h GLY 54 N -0.63 0.00 0.14 1.56 0.00 -1.18 0.25 103.07 103.22 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 -0.91 5.60 3.57 -0.58 -3.07 116.94 121.49 1dcj h PHE 55 Ca 0.28 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.92 1dcj h PHE 55 Cb 1.64 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.33 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 0.73 1.18 -0.32 0.00 2.02 -1.22 -0.28 112.91 115.02 1dcj h THR 57 Ca 0.46 -0.68 -0.15 0.00 0.77 0.00 0.00 66.41 66.81 1dcj h THR 57 Cb 0.72 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1dcj h THR 57 CO -0.22 0.24 -0.41 0.15 0.37 0.00 0.00 175.52 175.65 1dcj h PHE 58 N 0.51 0.97 0.00 3.16 3.04 -0.53 -2.79 116.94 121.30 1dcj h PHE 58 Ca 0.12 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.77 1dcj h PHE 58 Cb 0.26 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.57 1dcj h PHE 58 CO 0.01 1.08 0.00 -1.33 -2.02 0.00 0.00 178.31 176.05 1dcj n MET 59 N -4.04 0.87 -1.17 1.11 2.81 -0.89 -4.82 117.12 110.98 1dcj n MET 59 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1dcj n MET 59 Cb 0.55 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 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 -0.77 0.00 -2.79 0.03 4.07 -1.05 -4.93 120.64 115.20 1dcj n GLU 60 Ca 0.11 0.36 -0.21 0.00 -0.06 0.00 0.00 57.16 57.37 1dcj n GLU 60 Cb 0.05 -3.69 0.06 0.00 -0.06 0.00 0.00 31.44 27.80 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 2.11 0.09 4.31 3.76 -0.15 -2.88 115.29 120.53 1dcj s HIS 61 Ca 0.00 -0.34 0.09 0.00 -0.15 0.00 0.00 55.06 54.66 1dcj s HIS 61 Cb 0.00 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1dcj s HIS 61 CO 0.00 -1.11 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.34 1dcj s GLU 62 N -4.78 1.38 -0.66 1.40 2.02 -0.65 -4.34 118.70 113.07 1dcj s GLU 62 Ca 0.61 -1.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.22 1dcj s GLU 62 Cb -0.08 -1.66 0.07 0.00 0.10 0.00 0.00 34.13 32.56 1dcj s GLU 62 CO 0.39 0.40 0.98 -1.17 0.02 0.00 0.00 175.26 175.88 1dcj s LEU 63 N -1.65 4.31 -0.02 1.80 2.96 -1.26 -0.54 118.68 124.28 1dcj s LEU 63 Ca 0.10 -0.92 -0.26 0.00 -0.22 0.00 0.00 54.13 52.83 1dcj s LEU 63 Cb -0.10 -2.45 -0.20 0.00 0.50 0.00 0.00 46.19 43.94 1dcj s LEU 63 CO 0.04 -1.45 1.29 0.58 -1.32 0.00 0.00 176.35 175.49 1dcj h VAL 64 N 5.98 1.37 -3.05 1.68 2.07 -0.37 -3.46 116.25 120.48 1dcj h VAL 64 Ca -0.29 -1.11 -0.20 0.00 0.82 0.00 0.00 66.70 65.93 1dcj h VAL 64 Cb 1.07 2.11 -0.30 0.00 -1.52 0.00 0.00 31.29 32.66 1dcj h VAL 64 CO 1.18 0.29 -0.49 0.00 0.02 0.00 0.00 177.57 178.57 1dcj s ALA 65 N -4.32 -0.55 0.28 1.67 0.00 -1.15 -4.90 121.76 112.78 1dcj s ALA 65 Ca -0.16 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1dcj s ALA 65 Cb 0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1dcj s ALA 65 CO 0.68 -0.19 0.41 0.15 0.00 0.00 0.00 175.76 176.81 1dcj s LYS 66 N 1.17 3.35 -0.16 0.00 3.01 -1.26 0.62 119.74 126.47 1dcj s LYS 66 Ca -0.09 -0.78 -0.04 0.00 -1.01 0.00 0.00 55.97 54.05 1dcj s LYS 66 Cb -0.10 -2.84 0.05 0.00 -1.01 0.00 0.00 37.83 33.93 1dcj s LYS 66 CO -0.08 0.29 0.06 -1.21 0.51 0.00 0.00 175.35 174.92 1dcj s GLU 67 N -4.08 0.26 -0.08 1.68 2.02 0.52 -4.88 118.70 114.14 1dcj s GLU 67 Ca 0.38 -0.12 0.23 0.00 0.02 0.00 0.00 54.97 55.47 1dcj s GLU 67 Cb -0.09 -1.73 0.44 0.00 0.10 0.00 0.00 34.13 32.85 1dcj s GLU 67 CO 0.30 -0.60 1.17 0.25 0.02 0.00 0.00 175.26 176.40 1dcj n THR 68 N 5.21 0.57 1.82 3.63 -2.24 -1.26 -1.54 114.28 120.45 1dcj n THR 68 Ca -0.07 -1.70 0.07 0.00 -2.27 0.00 0.00 64.05 60.09 1dcj n THR 68 Cb 0.49 0.82 0.44 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 0.08 0.00 0.00 3.42 8.00 -1.26 -4.84 116.55 121.94 1dcj n ASP 69 Ca 0.09 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1dcj n ASP 69 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 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 3.93 2.52 0.44 0.00 -1.26 -5.09 105.19 106.34 1dcj n GLY 70 Ca 0.11 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.45 117.00 110.16 1dcj n LEU 71 Ca 0.00 0.64 -0.34 0.00 -0.03 0.00 0.00 56.01 56.28 1dcj n LEU 71 Cb 0.00 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1dcj n LEU 71 CO 0.00 -3.11 0.58 -2.16 -1.33 0.00 0.00 177.39 171.38 1dcj s PRO 72 N -0.76 4.26 0.88 3.23 0.04 -1.26 -5.13 135.00 136.27 1dcj s PRO 72 Ca 0.45 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1dcj s PRO 72 Cb -0.51 -2.43 0.12 0.00 0.04 0.00 0.00 34.50 31.72 1dcj s PRO 72 CO 0.47 0.11 1.10 0.71 0.04 0.00 0.00 177.00 179.43 1dcj s TYR 73 N -1.96 2.42 0.01 0.56 2.02 0.69 -4.72 117.35 116.38 1dcj s TYR 73 Ca 0.56 1.19 -0.12 0.00 -0.37 0.00 0.00 57.07 58.34 1dcj s TYR 73 Cb -0.12 -3.17 0.01 0.00 -0.40 0.00 0.00 41.96 38.28 1dcj s TYR 73 CO 0.17 -2.30 0.24 1.03 -1.57 0.00 0.00 175.55 173.12 1dcj s ARG 74 N -5.00 0.66 -0.21 -0.62 0.52 -0.59 -0.65 118.95 113.06 1dcj s ARG 74 Ca 0.63 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 55.34 1dcj s ARG 74 Cb -0.17 0.28 0.08 0.00 0.52 0.00 0.00 34.95 35.67 1dcj s ARG 74 CO 0.56 -0.19 0.46 0.71 0.02 0.00 0.00 175.30 176.87 1dcj s TYR 75 N -1.88 -0.81 0.26 -0.53 2.02 -0.34 0.20 117.35 116.25 1dcj s TYR 75 Ca -0.10 1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 58.06 1dcj s TYR 75 Cb -0.04 0.37 -0.08 0.00 -0.40 0.00 0.00 41.96 41.81 1dcj s TYR 75 CO 0.00 -0.46 0.60 -1.17 -1.57 0.00 0.00 175.55 172.95 1dcj s LEU 76 N 2.21 4.14 -0.23 -1.29 2.96 0.20 -1.98 118.68 124.70 1dcj s LEU 76 Ca -0.05 1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1dcj s LEU 76 Cb -0.10 -3.79 0.10 0.00 0.50 0.00 0.00 46.19 42.90 1dcj s LEU 76 CO -0.14 -0.11 0.23 -0.63 -1.32 0.00 0.00 176.35 174.38 1dcj s ILE 77 N -1.86 -0.32 -0.19 6.68 1.01 -0.34 0.40 121.20 126.59 1dcj s ILE 77 Ca 0.49 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1dcj s ILE 77 Cb -0.11 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1dcj s ILE 77 CO 0.20 -0.30 1.34 0.00 0.00 0.00 0.00 174.94 176.19 1dcj s ARG 78 N 2.32 4.11 -0.38 2.79 1.70 0.30 -2.29 118.95 127.49 1dcj s ARG 78 Ca 0.08 1.61 -0.28 0.00 -0.47 0.00 0.00 55.73 56.67 1dcj s ARG 78 Cb -0.15 -3.84 -0.02 0.00 -0.57 0.00 0.00 34.95 30.36 1dcj s ARG 78 CO -0.18 -0.88 1.85 0.21 -1.08 0.00 0.00 175.30 175.23 1dcj s LYS 79 N 3.83 3.15 0.00 3.89 2.20 -0.81 -1.64 119.74 130.35 1dcj s LYS 79 Ca 0.58 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 1dcj s LYS 79 Cb -0.22 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.85 1dcj s LYS 79 CO 0.19 -2.08 0.00 0.41 -0.36 0.00 0.00 175.35 173.51 1dcj n GLY 80 N 5.51 1.64 0.00 5.54 0.00 -1.26 -0.27 105.19 116.35 1dcj n GLY 80 Ca 0.23 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93