#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 3.16 -0.33 2.03 -1.32 -1.26 -5.00 115.64 112.93 1dcj s THR 2 Ca 0.00 1.09 -0.10 0.00 -1.21 0.00 0.00 61.69 61.47 1dcj s THR 2 Cb 0.00 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 1dcj s THR 2 CO 0.00 0.23 0.17 -1.81 -2.21 0.00 0.00 174.62 171.00 1dcj s ASP 3 N -0.34 5.60 0.26 8.08 1.11 -1.26 -4.93 116.67 125.19 1dcj s ASP 3 Ca 0.50 -0.69 0.16 0.00 0.18 0.00 0.00 52.55 52.70 1dcj s ASP 3 Cb -0.36 -2.01 0.06 0.00 1.07 0.00 0.00 42.92 41.68 1dcj s ASP 3 CO 0.44 -0.26 1.36 -0.07 1.18 0.00 0.00 175.17 177.82 1dcj h LEU 4 N 8.38 0.00 -1.42 1.23 3.38 -1.95 -3.16 115.31 121.76 1dcj h LEU 4 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1dcj h LEU 4 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1dcj h LEU 4 CO 0.63 0.45 0.00 0.49 0.09 0.00 0.00 178.44 180.10 1dcj n PHE 5 N -3.15 0.51 -0.72 1.13 3.01 -1.26 -4.83 117.46 112.15 1dcj n PHE 5 Ca 0.00 -0.20 -0.24 0.00 1.01 0.00 0.00 57.45 58.03 1dcj n PHE 5 Cb 0.73 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.18 -2.69 -4.46 4.37 2.88 -1.20 -4.40 113.62 108.31 1dcj n SER 6 Ca 0.08 -0.17 -0.45 0.00 -1.33 0.00 0.00 58.87 57.00 1dcj n SER 6 Cb 0.41 -0.70 -0.10 0.00 -0.75 0.00 0.00 64.21 63.07 1dcj n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1dcj n SER 7 N 0.57 1.33 -4.80 -3.46 7.64 -1.26 -4.88 113.62 108.76 1dcj n SER 7 Ca 0.02 0.17 -0.29 0.00 1.01 0.00 0.00 58.87 59.77 1dcj n SER 7 Cb 0.46 -1.16 0.11 0.00 -1.01 0.00 0.00 64.21 62.61 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 7.62 1.74 0.35 1.43 0.04 -1.26 -4.96 135.00 139.96 1dcj s PRO 8 Ca 1.18 0.49 0.19 0.00 0.04 0.00 0.00 61.00 62.90 1dcj s PRO 8 Cb -0.94 -1.89 0.33 0.00 0.04 0.00 0.00 34.50 32.04 1dcj s PRO 8 CO 0.46 -1.82 1.57 -0.44 0.04 0.00 0.00 177.00 176.81 1dcj h ASP 9 N -1.23 0.00 -5.47 6.66 5.19 -1.54 -3.47 116.42 116.56 1dcj h ASP 9 Ca -0.48 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.72 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 0.61 0.32 -0.30 -1.00 -3.12 0.00 0.00 179.24 175.75 1dcj s HIS 10 N -3.18 0.89 0.11 4.55 3.76 -0.18 -4.97 115.29 116.28 1dcj s HIS 10 Ca 0.04 -1.15 -0.07 0.00 -0.15 0.00 0.00 55.06 53.73 1dcj s HIS 10 Cb 0.08 -0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.59 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 -3.71 0.13 -0.22 1.30 2.01 -1.26 -0.94 115.64 112.95 1dcj s THR 11 Ca 0.31 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 1dcj s THR 11 Cb 0.02 -1.55 0.09 0.00 0.01 0.00 0.00 72.50 71.07 1dcj s THR 11 CO 0.15 -0.59 0.20 -0.22 -0.69 0.00 0.00 174.62 173.46 1dcj s LEU 12 N -2.91 0.03 0.17 4.42 2.96 0.11 -4.87 118.68 118.59 1dcj s LEU 12 Ca 0.10 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.22 1dcj s LEU 12 Cb 0.05 0.20 -0.08 0.00 0.50 0.00 0.00 46.19 46.87 1dcj s LEU 12 CO -0.07 -0.35 1.18 -0.62 -1.32 0.00 0.00 176.35 175.17 1dcj s ASP 13 N 2.27 7.12 -0.00 3.68 -1.08 -1.26 -0.79 116.67 126.60 1dcj s ASP 13 Ca 0.07 2.18 0.01 0.00 -0.52 0.00 0.00 52.55 54.28 1dcj s ASP 13 Cb -0.16 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 38.71 1dcj s ASP 13 CO -0.17 -0.36 0.85 0.00 0.52 0.00 0.00 175.17 176.01 1dcj n ALA 14 N 2.67 1.69 -2.46 3.66 0.00 0.14 -4.85 120.51 121.37 1dcj n ALA 14 Ca 0.05 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1dcj n ALA 14 Cb 0.45 -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 -0.12 3.51 0.00 0.00 1.43 -1.25 -1.37 118.68 120.88 1dcj s LEU 15 Ca 0.01 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1dcj s LEU 15 Cb 0.01 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1dcj s LEU 15 CO 0.00 -1.50 0.00 0.61 0.23 0.00 0.00 176.35 175.69 1dcj n GLY 16 N 5.09 0.65 3.86 -3.19 0.00 -1.26 -4.83 105.19 105.52 1dcj n GLY 16 Ca 0.13 0.00 -0.33 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 4.24 0.00 0.99 1.43 -0.47 -4.97 118.68 119.90 1dcj s LEU 17 Ca 0.00 0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1dcj s LEU 17 Cb 0.00 -3.49 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1dcj s LEU 17 CO 0.00 0.01 0.08 0.00 0.23 0.00 0.00 176.35 176.67 1dcj s ARG 18 N -2.45 0.36 0.31 1.70 1.04 -1.26 -4.12 118.95 114.53 1dcj s ARG 18 Ca 0.43 -0.36 -0.27 0.00 -1.04 0.00 0.00 55.73 54.49 1dcj s ARG 18 Cb -0.13 0.15 -0.14 0.00 -2.04 0.00 0.00 34.95 32.79 1dcj s ARG 18 CO 0.20 -0.08 0.81 0.00 -0.04 0.00 0.00 175.30 176.20 1dcj n PRO 20 N 0.72 1.64 -0.19 0.00 -0.04 -1.26 -4.91 135.00 130.96 1dcj n PRO 20 Ca 0.12 -0.96 -0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1dcj n PRO 20 Cb 0.32 -1.40 0.10 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 1.99 0.21 0.41 0.54 4.39 -0.70 0.50 114.58 121.91 1dcj h GLU 21 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1dcj h GLU 21 Cb 0.43 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1dcj h GLU 21 CO 0.00 0.14 -0.20 -1.00 -1.16 0.00 0.00 179.01 176.79 1dcj h PRO 22 N 0.21 -0.53 -0.86 2.33 0.13 -1.87 -0.80 132.00 130.62 1dcj h PRO 22 Ca 0.30 0.04 0.25 0.00 -0.87 0.00 0.00 66.00 65.71 1dcj h PRO 22 Cb 0.45 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1dcj h PRO 22 CO -0.41 -0.35 0.85 0.28 -0.23 0.00 0.00 178.00 178.14 1dcj h VAL 23 N -0.91 0.22 -0.07 1.56 2.07 -1.86 0.65 116.25 117.91 1dcj h VAL 23 Ca -0.06 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1dcj h VAL 23 Cb 0.42 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1dcj h VAL 23 CO 0.09 0.00 -0.58 0.24 0.02 0.00 0.00 177.57 177.34 1dcj h MET 24 N 0.00 0.52 -0.78 1.57 2.86 0.53 -2.69 114.93 116.94 1dcj h MET 24 Ca 0.41 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1dcj h MET 24 Cb 2.11 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 33.85 1dcj h MET 24 CO -0.00 1.10 0.41 0.52 1.06 0.00 0.00 176.91 180.00 1dcj h MET 25 N 0.10 1.10 0.00 1.72 2.86 0.18 -0.76 114.93 120.13 1dcj h MET 25 Ca -0.05 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1dcj h MET 25 Cb 1.24 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1dcj h MET 25 CO 0.12 0.82 -0.18 0.28 1.06 0.00 0.00 176.91 179.01 1dcj h VAL 26 N 1.09 1.06 0.43 -2.22 2.07 -1.40 -0.97 116.25 116.31 1dcj h VAL 26 Ca 0.27 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1dcj h VAL 26 Cb 0.06 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1dcj h VAL 26 CO -0.04 0.18 -0.21 0.03 0.02 0.00 0.00 177.57 177.55 1dcj h ARG 27 N 0.00 -0.56 -0.85 1.57 2.47 -0.81 0.66 114.38 116.87 1dcj h ARG 27 Ca -0.00 0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1dcj h ARG 27 Cb 0.34 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.73 1dcj h ARG 27 CO 0.02 -0.25 0.53 0.87 0.56 0.00 0.00 179.97 181.70 1dcj h LYS 28 N -0.90 0.97 -0.33 0.04 1.57 -1.25 0.62 116.57 117.31 1dcj h LYS 28 Ca -0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1dcj h LYS 28 Cb 0.57 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1dcj h LYS 28 CO 0.10 0.64 -0.01 1.15 -0.57 0.00 0.00 179.45 180.77 1dcj h THR 29 N 1.00 1.19 0.00 -0.16 2.02 -1.09 0.24 112.91 116.12 1dcj h THR 29 Ca 0.35 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1dcj h THR 29 Cb 0.09 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1dcj h THR 29 CO -0.15 0.26 -0.36 0.58 0.37 0.00 0.00 175.52 176.22 1dcj h VAL 30 N 0.48 0.98 0.00 3.16 2.07 0.41 0.99 116.25 124.34 1dcj h VAL 30 Ca 0.10 -1.39 -0.17 0.00 0.82 0.00 0.00 66.70 66.06 1dcj h VAL 30 Cb 0.32 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1dcj h VAL 30 CO 0.01 0.36 -0.82 0.03 0.02 0.00 0.00 177.57 177.16 1dcj h ARG 31 N 0.00 0.00 -0.17 1.57 3.08 0.31 -3.14 114.38 116.04 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 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1dcj h ARG 31 CO 0.05 0.82 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 1dcj n ASN 32 N -3.55 2.88 -4.95 7.04 0.23 0.27 -4.97 115.26 112.21 1dcj n ASN 32 Ca -0.00 -1.86 -0.24 0.00 -0.53 0.00 0.00 54.58 51.94 1dcj n ASN 32 Cb 0.79 -0.10 0.06 0.00 -2.08 0.00 0.00 39.78 38.45 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 -1.48 2.34 0.12 -3.83 -1.94 0.34 -5.04 119.30 109.81 1dcj s MET 33 Ca 0.27 -0.47 0.06 0.00 -1.71 0.00 0.00 55.69 53.84 1dcj s MET 33 Cb 0.18 -2.30 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 1dcj s MET 33 CO 0.25 -1.02 -0.14 -0.65 -0.01 0.00 0.00 175.02 173.45 1dcj s GLN 34 N -5.05 1.02 -0.01 2.03 -0.21 -1.26 -4.96 119.66 111.22 1dcj s GLN 34 Ca 0.59 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 1dcj s GLN 34 Cb -0.11 -0.93 -0.06 0.00 1.00 0.00 0.00 33.01 32.92 1dcj s GLN 34 CO 0.42 0.18 1.47 -1.25 -2.12 0.00 0.00 175.29 174.00 1dcj s PRO 35 N -2.59 4.25 0.00 2.91 0.04 -1.24 -2.45 135.00 135.91 1dcj s PRO 35 Ca 0.08 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1dcj s PRO 35 Cb -0.05 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1dcj s PRO 35 CO 0.03 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1dcj n GLY 36 N 3.78 1.57 1.82 0.56 0.00 0.50 -4.97 105.19 108.46 1dcj n GLY 36 Ca 0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.39 1.31 -3.99 1.61 -0.58 -1.03 -4.96 120.64 111.61 1dcj n GLU 37 Ca 0.00 -1.86 -0.09 0.00 -0.42 0.00 0.00 57.16 54.79 1dcj n GLU 37 Cb 0.01 0.55 -0.11 0.00 -0.57 0.00 0.00 31.44 31.32 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 0.13 -0.13 2.62 -4.23 -1.26 -1.90 115.64 108.90 1dcj s THR 38 Ca 0.01 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1dcj s THR 38 Cb 0.00 -0.31 0.06 0.00 1.34 0.00 0.00 72.50 73.59 1dcj s THR 38 CO 0.01 -0.51 0.16 -0.22 -0.54 0.00 0.00 174.62 173.51 1dcj s LEU 39 N -1.51 0.00 0.29 4.79 2.96 -0.96 -1.01 118.68 123.24 1dcj s LEU 39 Ca -0.15 0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 1dcj s LEU 39 Cb -0.09 0.19 -0.08 0.00 0.50 0.00 0.00 46.19 46.70 1dcj s LEU 39 CO -0.01 -0.28 0.68 -0.22 -1.32 0.00 0.00 176.35 175.20 1dcj s LEU 40 N 2.27 4.12 -0.05 -0.68 2.96 -0.11 -0.98 118.68 126.19 1dcj s LEU 40 Ca 0.04 1.20 -0.02 0.00 -0.22 0.00 0.00 54.13 55.13 1dcj s LEU 40 Cb -0.14 -3.92 0.04 0.00 0.50 0.00 0.00 46.19 42.67 1dcj s LEU 40 CO -0.08 -0.15 0.11 -0.63 -1.32 0.00 0.00 176.35 174.28 1dcj s ILE 41 N -1.90 -0.10 0.21 6.68 1.01 -0.74 0.05 121.20 126.41 1dcj s ILE 41 Ca 0.51 0.26 0.05 0.00 0.00 0.00 0.00 60.65 61.47 1dcj s ILE 41 Cb -0.11 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1dcj s ILE 41 CO 0.19 0.11 0.29 -0.63 0.00 0.00 0.00 174.94 174.90 1dcj s ILE 42 N 1.50 5.07 -0.29 2.92 1.01 0.03 -1.01 121.20 130.44 1dcj s ILE 42 Ca -0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 1dcj s ILE 42 Cb -0.12 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.76 1dcj s ILE 42 CO -0.05 -0.25 0.76 0.00 0.00 0.00 0.00 174.94 175.40 1dcj s ALA 43 N -1.92 -2.07 -0.09 9.38 0.00 -0.08 0.28 121.76 127.26 1dcj s ALA 43 Ca 0.34 2.33 0.17 0.00 0.00 0.00 0.00 51.96 54.80 1dcj s ALA 43 Cb -0.09 -1.62 -0.25 0.00 0.00 0.00 0.00 23.12 21.15 1dcj s ALA 43 CO 0.28 -0.55 0.25 -0.40 0.00 0.00 0.00 175.76 175.33 1dcj n ASP 44 N 4.53 0.85 -4.76 0.00 5.68 -1.04 -0.22 116.55 121.59 1dcj n ASP 44 Ca -0.17 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.73 1dcj n ASP 44 Cb 0.56 1.43 0.02 0.00 -1.14 0.00 0.00 41.12 41.99 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 -4.52 5.76 0.44 -1.12 2.15 -1.23 -4.87 116.67 113.28 1dcj s ASP 45 Ca -0.07 2.91 0.25 0.00 0.43 0.00 0.00 52.55 56.07 1dcj s ASP 45 Cb 0.09 -2.65 0.57 0.00 -0.30 0.00 0.00 42.92 40.62 1dcj s ASP 45 CO 0.73 -1.25 1.69 1.55 -0.17 0.00 0.00 175.17 177.71 1dcj h PRO 46 N 2.18 0.00 -0.01 4.34 0.13 -1.91 -3.07 132.00 133.66 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 0.60 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.07 2.79 0.01 -0.56 0.00 -1.26 -3.96 120.51 115.46 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 1.48 0.87 -0.61 0.00 1.35 -1.85 -0.59 112.91 113.56 1dcj h THR 48 Ca 0.00 -2.39 0.11 0.00 -0.55 0.00 0.00 66.41 63.59 1dcj h THR 48 Cb 0.44 2.62 -0.04 0.00 -1.73 0.00 0.00 68.15 69.45 1dcj h THR 48 CO 0.00 0.77 0.42 0.71 -0.25 0.00 0.00 175.52 177.17 1dcj h THR 49 N -0.15 0.86 0.03 6.82 1.35 -1.70 0.75 112.91 120.87 1dcj h THR 49 Ca -0.35 -0.12 -0.37 0.00 -0.55 0.00 0.00 66.41 65.01 1dcj h THR 49 Cb 1.89 0.47 -0.05 0.00 -1.73 0.00 0.00 68.15 68.72 1dcj h THR 49 CO 0.07 0.06 -2.28 0.54 -0.25 0.00 0.00 175.52 173.67 1dcj n ARG 50 N -4.46 0.68 -0.05 4.72 1.74 -1.25 -4.43 116.66 113.61 1dcj n ARG 50 Ca 0.11 0.16 -0.20 0.00 -0.77 0.00 0.00 57.85 57.15 1dcj n ARG 50 Cb 0.43 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.15 -0.42 0.55 5.19 -0.86 -2.86 116.42 118.18 1dcj h ASP 51 Ca -0.51 -0.75 0.08 0.00 -0.62 0.00 0.00 57.03 55.23 1dcj h ASP 51 Cb 2.00 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 41.39 1dcj h ASP 51 CO -0.01 1.43 -0.08 0.40 -3.12 0.00 0.00 179.24 177.86 1dcj h ILE 52 N -0.73 0.60 0.00 0.35 2.04 -0.98 0.53 117.51 119.32 1dcj h ILE 52 Ca -0.25 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1dcj h ILE 52 Cb 1.41 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1dcj h ILE 52 CO -0.06 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.64 1dcj h PRO 53 N 0.02 -0.01 -0.53 2.37 0.13 -1.75 -2.22 132.00 130.02 1dcj h PRO 53 Ca 0.20 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.49 1dcj h PRO 53 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 1dcj h PRO 53 CO -0.41 0.60 0.65 0.78 -0.23 0.00 0.00 178.00 179.40 1dcj h GLY 54 N -0.62 0.00 0.10 1.56 0.00 -1.24 0.21 103.07 103.08 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 0.00 176.54 173.78 1dcj h PHE 55 N 0.00 -0.04 -0.90 5.60 3.57 -0.52 -3.06 116.94 121.59 1dcj h PHE 55 Ca 0.25 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.92 1dcj h PHE 55 Cb 1.55 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.23 1dcj h PHE 55 CO 0.00 0.58 0.58 0.00 -2.23 0.00 0.00 178.31 177.24 1dcj h THR 57 N 0.59 1.25 -0.02 0.00 2.02 -1.21 -0.28 112.91 115.25 1dcj h THR 57 Ca 0.46 -1.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 1dcj h THR 57 Cb 0.90 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1dcj h THR 57 CO -0.21 0.37 -0.64 0.15 0.37 0.00 0.00 175.52 175.56 1dcj h PHE 58 N 0.38 0.12 -0.16 3.16 3.04 -0.63 -3.05 116.94 119.80 1dcj h PHE 58 Ca 0.06 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1dcj h PHE 58 Cb 0.60 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1dcj h PHE 58 CO 0.02 0.71 0.00 -1.33 -2.02 0.00 0.00 178.31 175.68 1dcj n MET 59 N -3.80 1.60 -1.42 1.11 2.81 -0.92 -4.89 117.12 111.61 1dcj n MET 59 Ca -0.02 -0.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 1dcj n MET 59 Cb 0.64 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 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 0.15 0.00 -2.83 0.03 2.13 -1.15 -5.00 120.64 113.96 1dcj n GLU 60 Ca 0.15 0.12 -0.20 0.00 0.66 0.00 0.00 57.16 57.89 1dcj n GLU 60 Cb 0.27 -3.02 0.05 0.00 0.27 0.00 0.00 31.44 29.02 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 2.15 0.04 4.31 3.76 -0.13 -2.61 115.29 120.81 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 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 1dcj s HIS 61 CO 0.00 -1.03 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.42 1dcj s GLU 62 N -4.72 1.57 -0.62 1.40 2.02 -0.68 -4.50 118.70 113.18 1dcj s GLU 62 Ca 0.60 -1.02 -0.23 0.00 0.02 0.00 0.00 54.97 54.35 1dcj s GLU 62 Cb -0.08 -1.71 0.06 0.00 0.10 0.00 0.00 34.13 32.50 1dcj s GLU 62 CO 0.39 0.44 0.94 -1.17 0.02 0.00 0.00 175.26 175.87 1dcj s LEU 63 N -1.20 4.33 -0.06 1.80 2.96 -1.26 -0.44 118.68 124.81 1dcj s LEU 63 Ca 0.09 -0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 52.94 1dcj s LEU 63 Cb -0.09 -2.54 -0.22 0.00 0.50 0.00 0.00 46.19 43.83 1dcj s LEU 63 CO 0.02 -1.34 1.11 0.58 -1.32 0.00 0.00 176.35 175.40 1dcj h VAL 64 N 5.98 1.51 -3.00 1.68 2.07 -0.71 -3.46 116.25 120.33 1dcj h VAL 64 Ca -0.28 -1.51 -0.19 0.00 0.82 0.00 0.00 66.70 65.54 1dcj h VAL 64 Cb 1.07 2.54 -0.29 0.00 -1.52 0.00 0.00 31.29 33.09 1dcj h VAL 64 CO 1.14 0.39 -0.47 0.00 0.02 0.00 0.00 177.57 178.65 1dcj s ALA 65 N -3.64 -0.60 0.25 1.67 0.00 -1.16 -4.91 121.76 113.38 1dcj s ALA 65 Ca -0.17 1.04 0.05 0.00 0.00 0.00 0.00 51.96 52.88 1dcj s ALA 65 Cb 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1dcj s ALA 65 CO 0.68 -0.20 0.38 0.15 0.00 0.00 0.00 175.76 176.76 1dcj s LYS 66 N 1.23 3.40 -0.15 0.00 3.01 -1.26 0.75 119.74 126.72 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 -2.88 0.05 0.00 -1.01 0.00 0.00 37.83 33.90 1dcj s LYS 66 CO -0.09 0.38 0.07 -1.21 0.51 0.00 0.00 175.35 175.01 1dcj s GLU 67 N -4.01 0.19 -0.06 1.68 2.02 0.53 -4.89 118.70 114.17 1dcj s GLU 67 Ca 0.35 -0.09 0.24 0.00 0.02 0.00 0.00 54.97 55.49 1dcj s GLU 67 Cb -0.09 -1.69 0.44 0.00 0.10 0.00 0.00 34.13 32.89 1dcj s GLU 67 CO 0.29 -0.61 1.17 0.25 0.02 0.00 0.00 175.26 176.39 1dcj n THR 68 N 5.23 0.42 1.88 3.63 -2.24 -1.26 -1.56 114.28 120.37 1dcj n THR 68 Ca -0.07 -1.51 0.07 0.00 -2.27 0.00 0.00 64.05 60.27 1dcj n THR 68 Cb 0.49 0.87 0.43 0.00 -2.10 0.00 0.00 70.33 70.02 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 -1.43 0.00 0.00 -0.53 0.00 0.00 54.79 52.91 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 0.65 3.94 2.70 0.44 0.00 -1.26 -5.09 105.19 106.58 1dcj n GLY 70 Ca 0.11 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.36 -4.82 0.99 4.77 -1.26 -4.45 117.00 109.87 1dcj n LEU 71 Ca 0.00 0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 56.30 1dcj n LEU 71 Cb 0.00 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.30 1dcj n LEU 71 CO 0.00 -3.45 0.59 -2.16 -1.33 0.00 0.00 177.39 171.04 1dcj s PRO 72 N -0.82 4.27 0.84 3.23 0.04 -1.26 -5.13 135.00 136.18 1dcj s PRO 72 Ca 0.49 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1dcj s PRO 72 Cb -0.52 -2.43 0.10 0.00 0.04 0.00 0.00 34.50 31.69 1dcj s PRO 72 CO 0.51 0.11 1.09 0.71 0.04 0.00 0.00 177.00 179.47 1dcj s TYR 73 N -1.96 2.56 0.01 0.56 2.02 0.69 -4.76 117.35 116.47 1dcj s TYR 73 Ca 0.56 1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 58.37 1dcj s TYR 73 Cb -0.12 -3.14 0.01 0.00 -0.40 0.00 0.00 41.96 38.32 1dcj s TYR 73 CO 0.17 -2.08 0.24 1.03 -1.57 0.00 0.00 175.55 173.33 1dcj s ARG 74 N -5.03 0.63 -0.20 -0.62 0.52 -0.60 -0.90 118.95 112.75 1dcj s ARG 74 Ca 0.62 -0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 55.39 1dcj s ARG 74 Cb -0.16 0.27 0.08 0.00 0.52 0.00 0.00 34.95 35.66 1dcj s ARG 74 CO 0.56 -0.17 0.45 0.71 0.02 0.00 0.00 175.30 176.86 1dcj s TYR 75 N -1.67 -0.80 0.28 -0.53 2.02 -0.18 0.20 117.35 116.67 1dcj s TYR 75 Ca -0.12 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.03 1dcj s TYR 75 Cb -0.05 0.35 -0.07 0.00 -0.40 0.00 0.00 41.96 41.79 1dcj s TYR 75 CO 0.01 -0.46 0.63 -1.17 -1.57 0.00 0.00 175.55 172.99 1dcj s LEU 76 N 2.25 4.09 -0.23 -1.29 2.96 0.23 -1.80 118.68 124.90 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 -0.11 -3.82 0.10 0.00 0.50 0.00 0.00 46.19 42.87 1dcj s LEU 76 CO -0.14 -0.16 0.25 -0.63 -1.32 0.00 0.00 176.35 174.35 1dcj s ILE 77 N -1.95 -0.36 -0.08 6.68 1.01 -0.16 0.04 121.20 126.39 1dcj s ILE 77 Ca 0.49 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 1dcj s ILE 77 Cb -0.11 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1dcj s ILE 77 CO 0.22 -0.26 1.31 0.00 0.00 0.00 0.00 174.94 176.20 1dcj s ARG 78 N 2.35 4.28 -0.39 2.79 1.70 0.42 -2.25 118.95 127.84 1dcj s ARG 78 Ca 0.08 1.78 -0.27 0.00 -0.47 0.00 0.00 55.73 56.85 1dcj s ARG 78 Cb -0.15 -3.67 -0.04 0.00 -0.57 0.00 0.00 34.95 30.52 1dcj s ARG 78 CO -0.17 -0.60 2.04 0.21 -1.08 0.00 0.00 175.30 175.70 1dcj s LYS 79 N 2.87 2.88 0.00 3.89 2.47 -0.80 -1.69 119.74 129.36 1dcj s LYS 79 Ca 0.59 1.41 0.00 0.00 -1.56 0.00 0.00 55.97 56.41 1dcj s LYS 79 Cb -0.26 -4.36 0.00 0.00 -1.46 0.00 0.00 37.83 31.75 1dcj s LYS 79 CO 0.21 -2.39 0.00 0.41 0.16 0.00 0.00 175.35 173.74 1dcj n GLY 80 N 5.68 1.54 0.00 5.54 0.00 -1.26 -0.37 105.19 116.33 1dcj n GLY 80 Ca 0.27 -1.00 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