#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 5.00 0.04 2.03 -4.23 -1.26 -5.05 115.64 112.16 1dcj s THR 2 Ca 0.00 1.18 0.06 0.00 -1.18 0.00 0.00 61.69 61.74 1dcj s THR 2 Cb 0.00 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 1dcj s THR 2 CO 0.00 0.07 -0.13 -1.81 -0.54 0.00 0.00 174.62 172.20 1dcj s ASP 3 N 1.32 4.14 0.00 3.99 1.01 -1.26 -4.99 116.67 120.89 1dcj s ASP 3 Ca 0.28 -0.33 0.21 0.00 0.71 0.00 0.00 52.55 53.41 1dcj s ASP 3 Cb -0.16 -0.79 1.03 0.00 1.01 0.00 0.00 42.92 44.01 1dcj s ASP 3 CO 0.09 0.25 1.65 0.18 0.21 0.00 0.00 175.17 177.56 1dcj n LEU 4 N 1.44 0.00 -0.78 1.23 4.77 -1.26 -2.70 117.00 119.69 1dcj n LEU 4 Ca -0.16 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1dcj n LEU 4 Cb 0.52 -0.30 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1dcj n LEU 4 CO 0.29 -0.10 0.50 0.49 -1.33 0.00 0.00 177.39 177.24 1dcj n PHE 5 N -1.30 0.56 -0.73 -1.77 3.01 -1.26 -4.83 117.46 111.14 1dcj n PHE 5 Ca 0.09 -0.21 -0.23 0.00 1.01 0.00 0.00 57.45 58.11 1dcj n PHE 5 Cb 0.17 -0.16 0.09 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.21 -2.67 -4.45 4.37 7.64 -1.10 -4.37 113.62 113.25 1dcj n SER 6 Ca 0.09 -0.15 -0.46 0.00 1.01 0.00 0.00 58.87 59.35 1dcj n SER 6 Cb 0.44 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 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 0.80 1.26 -4.80 6.43 3.41 -1.26 -4.87 113.62 114.59 1dcj n SER 7 Ca 0.01 0.21 -0.30 0.00 -0.26 0.00 0.00 58.87 58.54 1dcj n SER 7 Cb 0.45 -1.13 0.09 0.00 -0.26 0.00 0.00 64.21 63.36 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 7.53 2.00 0.36 4.33 0.04 -1.26 -4.96 135.00 143.03 1dcj s PRO 8 Ca 1.19 0.63 0.19 0.00 0.04 0.00 0.00 61.00 63.05 1dcj s PRO 8 Cb -0.99 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 31.91 1dcj s PRO 8 CO 0.48 -1.68 1.55 -0.44 0.04 0.00 0.00 177.00 176.95 1dcj h ASP 9 N -1.13 0.00 -5.49 6.66 3.32 -1.77 -3.47 116.42 114.54 1dcj h ASP 9 Ca -0.47 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.35 1dcj h ASP 9 Cb 1.27 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.73 1dcj h ASP 9 CO 0.59 0.29 -0.26 -1.00 -1.72 0.00 0.00 179.24 177.15 1dcj s HIS 10 N -3.13 0.96 0.11 4.55 3.76 -0.67 -4.97 115.29 115.89 1dcj s HIS 10 Ca 0.05 -1.20 -0.07 0.00 -0.15 0.00 0.00 55.06 53.69 1dcj s HIS 10 Cb 0.07 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.62 1dcj s HIS 10 CO 0.70 -1.01 0.18 0.99 -0.85 0.00 0.00 174.74 174.75 1dcj s THR 11 N -3.47 0.13 -0.23 1.30 2.01 -1.26 -1.04 115.64 113.09 1dcj s THR 11 Ca 0.31 -1.38 -0.03 0.00 0.31 0.00 0.00 61.69 60.89 1dcj s THR 11 Cb 0.01 -1.57 0.11 0.00 0.01 0.00 0.00 72.50 71.06 1dcj s THR 11 CO 0.17 -0.58 0.26 -0.22 -0.69 0.00 0.00 174.62 173.57 1dcj s LEU 12 N -2.92 -0.22 0.14 4.42 2.96 0.14 -4.86 118.68 118.34 1dcj s LEU 12 Ca 0.10 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 1dcj s LEU 12 Cb 0.05 0.53 -0.07 0.00 0.50 0.00 0.00 46.19 47.20 1dcj s LEU 12 CO -0.07 -0.33 1.17 -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 -0.81 116.67 129.93 1dcj s ASP 13 Ca 0.08 2.11 0.01 0.00 0.43 0.00 0.00 52.55 55.18 1dcj s ASP 13 Cb -0.15 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1dcj s ASP 13 CO -0.17 -0.36 0.90 0.00 -0.17 0.00 0.00 175.17 175.37 1dcj n ALA 14 N 2.98 1.80 -2.54 3.66 0.00 0.12 -4.85 120.51 121.68 1dcj n ALA 14 Ca 0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1dcj n ALA 14 Cb 0.46 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.22 3.46 0.00 0.00 1.43 -1.25 -1.53 118.68 120.58 1dcj s LEU 15 Ca 0.02 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1dcj s LEU 15 Cb 0.02 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.04 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 5.08 0.47 3.87 -3.19 0.00 -1.26 -4.83 105.19 105.33 1dcj n GLY 16 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 4.27 -0.00 0.99 1.43 -0.58 -4.98 118.68 119.81 1dcj s LEU 17 Ca 0.00 0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1dcj s LEU 17 Cb 0.00 -3.33 -0.00 0.00 0.03 0.00 0.00 46.19 42.88 1dcj s LEU 17 CO 0.00 0.05 0.08 0.00 0.23 0.00 0.00 176.35 176.71 1dcj s ARG 18 N -2.38 0.35 0.31 1.70 1.70 -1.26 -4.12 118.95 115.25 1dcj s ARG 18 Ca 0.40 -0.34 -0.26 0.00 -0.47 0.00 0.00 55.73 55.05 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 0.21 -0.07 0.80 0.00 -1.08 0.00 0.00 175.30 175.15 1dcj n PRO 20 N 0.72 1.65 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.97 1dcj n PRO 20 Ca 0.12 -0.96 -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 32.47 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 0.22 0.44 0.54 5.08 -0.75 0.49 114.58 122.62 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 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dcj h GLU 21 CO 0.00 0.14 -0.21 -1.00 -1.00 0.00 0.00 179.01 176.94 1dcj h PRO 22 N 0.22 -0.57 -0.81 2.33 0.13 -1.87 -0.53 132.00 130.91 1dcj h PRO 22 Ca 0.29 0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.69 1dcj h PRO 22 Cb 0.43 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1dcj h PRO 22 CO -0.40 -0.38 0.81 0.28 -0.23 0.00 0.00 178.00 178.08 1dcj h VAL 23 N -0.99 0.23 -0.03 1.56 2.07 -1.86 0.72 116.25 117.96 1dcj h VAL 23 Ca -0.06 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 1dcj h VAL 23 Cb 0.46 0.37 0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1dcj h VAL 23 CO 0.10 0.00 -0.86 0.24 0.02 0.00 0.00 177.57 177.07 1dcj h MET 24 N 0.00 0.63 -0.59 1.57 2.86 0.53 -2.85 114.93 117.08 1dcj h MET 24 Ca 0.38 -0.64 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1dcj h MET 24 Cb 2.00 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.81 1dcj h MET 24 CO -0.00 1.25 0.33 0.52 1.06 0.00 0.00 176.91 180.06 1dcj h MET 25 N 0.27 0.82 0.00 1.72 2.86 0.21 -0.62 114.93 120.19 1dcj h MET 25 Ca -0.10 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1dcj h MET 25 Cb 1.53 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.02 1dcj h MET 25 CO 0.17 0.62 -0.07 0.28 1.06 0.00 0.00 176.91 178.97 1dcj h VAL 26 N 0.80 1.03 0.61 -2.22 2.07 -1.41 -0.93 116.25 116.20 1dcj h VAL 26 Ca 0.21 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1dcj h VAL 26 Cb 0.03 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1dcj h VAL 26 CO -0.03 0.07 -0.29 -0.09 0.02 0.00 0.00 177.57 177.24 1dcj h ARG 27 N 0.00 -0.79 -0.83 1.57 9.65 -0.88 0.60 114.38 123.71 1dcj h ARG 27 Ca -0.00 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.00 1dcj h ARG 27 Cb 0.13 0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 28.82 1dcj h ARG 27 CO 0.01 -0.48 0.50 0.87 2.80 0.00 0.00 179.97 183.67 1dcj h LYS 28 N -1.03 0.87 -0.29 0.20 1.57 -1.13 0.98 116.57 117.73 1dcj h LYS 28 Ca -0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1dcj h LYS 28 Cb 0.68 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1dcj h LYS 28 CO 0.14 0.57 -0.02 1.15 -0.57 0.00 0.00 179.45 180.72 1dcj h THR 29 N 0.89 1.19 0.00 -0.16 2.02 -1.07 0.36 112.91 116.15 1dcj h THR 29 Ca 0.37 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1dcj h THR 29 Cb 0.22 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1dcj h THR 29 CO -0.19 0.26 -0.36 0.58 0.37 0.00 0.00 175.52 176.18 1dcj h VAL 30 N 0.44 0.84 -0.02 3.16 2.07 0.47 1.03 116.25 124.23 1dcj h VAL 30 Ca 0.09 -1.48 -0.17 0.00 0.82 0.00 0.00 66.70 65.96 1dcj h VAL 30 Cb 0.33 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1dcj h VAL 30 CO 0.01 0.35 -0.76 0.03 0.02 0.00 0.00 177.57 177.22 1dcj h ARG 31 N 0.00 0.17 -0.16 1.57 3.08 0.46 -3.14 114.38 116.36 1dcj h ARG 31 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1dcj h ARG 31 Cb 0.89 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1dcj h ARG 31 CO 0.05 0.85 0.00 0.27 -1.07 0.00 0.00 179.97 180.06 1dcj n ASN 32 N -3.73 2.66 -4.94 7.04 2.04 0.12 -4.97 115.26 113.48 1dcj n ASN 32 Ca -0.03 -1.78 -0.25 0.00 -0.44 0.00 0.00 54.58 52.09 1dcj n ASN 32 Cb 0.73 -0.10 0.03 0.00 -2.53 0.00 0.00 39.78 37.90 1dcj n ASN 32 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1dcj s MET 33 N -1.26 2.92 0.13 -3.83 -1.94 0.35 -5.05 119.30 110.62 1dcj s MET 33 Ca 0.24 -0.27 0.08 0.00 -1.71 0.00 0.00 55.69 54.02 1dcj s MET 33 Cb 0.15 -2.40 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 1dcj s MET 33 CO 0.21 -0.55 -0.18 -0.65 -0.01 0.00 0.00 175.02 173.84 1dcj s GLN 34 N -4.81 1.16 -0.05 2.03 -1.52 -1.26 -4.92 119.66 110.28 1dcj s GLN 34 Ca 0.52 -1.28 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 1dcj s GLN 34 Cb -0.10 -1.24 -0.05 0.00 -0.22 0.00 0.00 33.01 31.41 1dcj s GLN 34 CO 0.42 0.26 1.45 -1.25 -0.25 0.00 0.00 175.29 175.92 1dcj s PRO 35 N -2.46 4.24 0.00 2.91 0.04 -1.26 -2.53 135.00 135.94 1dcj s PRO 35 Ca 0.11 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1dcj s PRO 35 Cb -0.07 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1dcj s PRO 35 CO 0.05 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1dcj n GLY 36 N 3.79 1.44 1.96 0.56 0.00 0.11 -4.92 105.19 108.13 1dcj n GLY 36 Ca 0.15 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 -1.18 1.22 -4.09 1.61 4.71 -1.05 -4.98 120.64 116.88 1dcj n GLU 37 Ca 0.00 -2.00 -0.10 0.00 -0.01 0.00 0.00 57.16 55.05 1dcj n GLU 37 Cb 0.00 0.63 -0.10 0.00 -1.01 0.00 0.00 31.44 30.96 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 -2.08 0.40 -0.13 2.62 -4.23 -1.26 -1.74 115.64 109.22 1dcj s THR 38 Ca 0.02 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 1dcj s THR 38 Cb 0.00 -1.17 0.07 0.00 1.34 0.00 0.00 72.50 72.73 1dcj s THR 38 CO 0.02 -0.76 0.23 -0.22 -0.54 0.00 0.00 174.62 173.34 1dcj s LEU 39 N -2.45 -0.20 0.21 4.79 2.96 -0.85 -1.67 118.68 121.47 1dcj s LEU 39 Ca 0.01 0.34 -0.19 0.00 -0.22 0.00 0.00 54.13 54.08 1dcj s LEU 39 Cb 0.01 0.52 -0.08 0.00 0.50 0.00 0.00 46.19 47.13 1dcj s LEU 39 CO -0.05 -0.26 0.70 -0.22 -1.32 0.00 0.00 176.35 175.20 1dcj s LEU 40 N 2.37 4.34 -0.03 -0.68 2.96 -0.20 -0.74 118.68 126.69 1dcj s LEU 40 Ca 0.03 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1dcj s LEU 40 Cb -0.13 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.06 1dcj s LEU 40 CO -0.09 0.04 0.05 -0.63 -1.32 0.00 0.00 176.35 174.41 1dcj s ILE 41 N -1.51 -0.09 0.26 6.68 1.01 -0.64 0.24 121.20 127.14 1dcj s ILE 41 Ca 0.42 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.46 1dcj s ILE 41 Cb -0.16 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1dcj s ILE 41 CO 0.21 0.14 0.39 -0.63 0.00 0.00 0.00 174.94 175.05 1dcj s ILE 42 N 1.75 5.20 -0.29 2.92 1.01 0.01 -0.93 121.20 130.88 1dcj s ILE 42 Ca -0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1dcj s ILE 42 Cb -0.12 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.61 1dcj s ILE 42 CO -0.03 -0.36 0.77 0.00 0.00 0.00 0.00 174.94 175.32 1dcj s ALA 43 N -2.04 -2.09 -0.09 9.38 0.00 -0.02 0.14 121.76 127.03 1dcj s ALA 43 Ca 0.35 2.32 0.18 0.00 0.00 0.00 0.00 51.96 54.82 1dcj s ALA 43 Cb -0.09 -1.64 -0.27 0.00 0.00 0.00 0.00 23.12 21.12 1dcj s ALA 43 CO 0.30 -0.56 0.27 -0.40 0.00 0.00 0.00 175.76 175.37 1dcj n ASP 44 N 4.52 0.49 -4.77 0.00 5.68 -1.02 -0.34 116.55 121.09 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 1.48 0.01 0.00 -1.14 0.00 0.00 41.12 42.03 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 -4.70 6.14 0.42 -1.12 2.15 -1.23 -4.87 116.67 113.46 1dcj s ASP 45 Ca -0.08 2.92 0.25 0.00 0.43 0.00 0.00 52.55 56.07 1dcj s ASP 45 Cb 0.09 -2.66 0.59 0.00 -0.30 0.00 0.00 42.92 40.65 1dcj s ASP 45 CO 0.79 -0.99 1.70 1.55 -0.17 0.00 0.00 175.17 178.04 1dcj h PRO 46 N 2.67 0.00 -0.01 4.34 0.13 -1.90 -3.07 132.00 134.16 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1dcj h PRO 46 CO 0.63 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.05 2.82 0.02 -0.56 0.00 -1.26 -3.91 120.51 115.57 1dcj n ALA 47 Ca 0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 1dcj n ALA 47 Cb 0.47 -1.21 -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 1.35 0.79 -0.77 0.00 1.35 -1.85 -0.74 112.91 113.04 1dcj h THR 48 Ca 0.00 -2.38 0.14 0.00 -0.55 0.00 0.00 66.41 63.62 1dcj h THR 48 Cb 0.44 2.59 -0.05 0.00 -1.73 0.00 0.00 68.15 69.39 1dcj h THR 48 CO 0.00 0.82 0.51 0.71 -0.25 0.00 0.00 175.52 177.31 1dcj h THR 49 N -0.06 0.82 0.03 6.82 1.35 -1.69 0.55 112.91 120.74 1dcj h THR 49 Ca -0.38 -0.17 -0.37 0.00 -0.55 0.00 0.00 66.41 64.94 1dcj h THR 49 Cb 1.96 0.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.62 1dcj h THR 49 CO 0.09 0.09 -2.27 0.54 -0.25 0.00 0.00 175.52 173.71 1dcj n ARG 50 N -4.49 0.69 -0.03 4.72 1.74 -1.25 -4.43 116.66 113.59 1dcj n ARG 50 Ca 0.14 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.19 1dcj n ARG 50 Cb 0.49 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 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 -0.43 0.55 5.19 -0.90 -2.85 116.42 118.23 1dcj h ASP 51 Ca -0.51 -0.79 0.08 0.00 -0.62 0.00 0.00 57.03 55.19 1dcj h ASP 51 Cb 2.00 -0.07 -0.07 0.00 0.18 0.00 0.00 39.33 41.36 1dcj h ASP 51 CO -0.01 1.48 -0.04 0.40 -3.12 0.00 0.00 179.24 177.95 1dcj h ILE 52 N -0.60 0.63 0.03 0.35 2.04 -1.02 0.49 117.51 119.43 1dcj h ILE 52 Ca -0.26 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1dcj h ILE 52 Cb 1.52 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 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 0.06 -0.04 -0.53 2.37 0.13 -1.74 -2.37 132.00 129.89 1dcj h PRO 53 Ca 0.21 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.50 1dcj h PRO 53 Cb 0.31 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1dcj h PRO 53 CO -0.39 0.55 0.65 0.78 -0.23 0.00 0.00 178.00 179.36 1dcj h GLY 54 N -0.66 0.00 0.15 1.56 0.00 -1.24 0.30 103.07 103.18 1dcj h GLY 54 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1dcj h GLY 54 CO 0.01 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1dcj h PHE 55 N 0.00 -0.03 -0.97 5.60 3.57 -0.55 -3.02 116.94 121.53 1dcj h PHE 55 Ca 0.25 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.90 1dcj h PHE 55 Cb 1.55 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 40.22 1dcj h PHE 55 CO 0.00 0.68 0.61 0.00 -2.23 0.00 0.00 178.31 177.38 1dcj h THR 57 N 0.81 1.15 -0.54 0.00 2.02 -1.24 -0.29 112.91 114.82 1dcj h THR 57 Ca 0.51 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1dcj h THR 57 Cb 0.72 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1dcj h THR 57 CO -0.28 0.17 -0.02 0.15 0.37 0.00 0.00 175.52 175.91 1dcj h PHE 58 N 0.61 1.06 -0.01 3.16 3.04 -0.30 -2.70 116.94 121.81 1dcj h PHE 58 Ca 0.15 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1dcj h PHE 58 Cb 0.07 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1dcj h PHE 58 CO 0.00 0.97 0.00 -1.33 -2.02 0.00 0.00 178.31 175.94 1dcj n MET 59 N -4.25 1.02 -1.24 1.11 2.81 -0.94 -4.85 117.12 110.79 1dcj n MET 59 Ca 0.02 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1dcj n MET 59 Cb 0.34 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 -0.72 0.00 -2.77 0.03 -0.58 -1.02 -4.68 120.64 110.90 1dcj n GLU 60 Ca 0.12 0.29 -0.21 0.00 -0.42 0.00 0.00 57.16 56.94 1dcj n GLU 60 Cb 0.06 -3.46 0.05 0.00 -0.57 0.00 0.00 31.44 27.53 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 2.24 0.03 -0.32 3.76 -0.16 -3.43 115.29 115.41 1dcj s HIS 61 Ca 0.00 -0.29 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1dcj s HIS 61 Cb 0.00 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.03 1dcj s HIS 61 CO 0.00 -1.06 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.40 1dcj s GLU 62 N -4.76 1.53 -0.65 1.40 2.02 -0.62 -4.32 118.70 113.30 1dcj s GLU 62 Ca 0.60 -0.95 -0.25 0.00 0.02 0.00 0.00 54.97 54.39 1dcj s GLU 62 Cb -0.08 -1.63 0.05 0.00 0.10 0.00 0.00 34.13 32.57 1dcj s GLU 62 CO 0.39 0.42 1.09 -1.17 0.02 0.00 0.00 175.26 176.02 1dcj s LEU 63 N -1.07 3.79 0.01 1.80 2.96 -1.26 0.68 118.68 125.58 1dcj s LEU 63 Ca 0.08 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 1dcj s LEU 63 Cb -0.09 -2.65 -0.18 0.00 0.50 0.00 0.00 46.19 43.77 1dcj s LEU 63 CO 0.01 -1.53 1.27 0.58 -1.32 0.00 0.00 176.35 175.36 1dcj h VAL 64 N 6.03 1.39 -2.89 1.68 2.07 -0.52 -3.46 116.25 120.55 1dcj h VAL 64 Ca -0.27 -1.34 -0.16 0.00 0.82 0.00 0.00 66.70 65.74 1dcj h VAL 64 Cb 1.06 2.10 -0.28 0.00 -1.52 0.00 0.00 31.29 32.65 1dcj h VAL 64 CO 1.20 0.37 -0.41 0.00 0.02 0.00 0.00 177.57 178.75 1dcj s ALA 65 N -4.12 -0.74 0.28 1.67 0.00 -1.16 -4.90 121.76 112.79 1dcj s ALA 65 Ca -0.15 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1dcj s ALA 65 Cb 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1dcj s ALA 65 CO 0.72 -0.22 0.42 0.15 0.00 0.00 0.00 175.76 176.83 1dcj s LYS 66 N 1.24 3.36 -0.15 0.00 3.01 -1.26 0.86 119.74 126.79 1dcj s LYS 66 Ca -0.09 -0.76 -0.04 0.00 -1.01 0.00 0.00 55.97 54.07 1dcj s LYS 66 Cb -0.09 -2.84 0.06 0.00 -1.01 0.00 0.00 37.83 33.95 1dcj s LYS 66 CO -0.09 0.29 0.07 -1.21 0.51 0.00 0.00 175.35 174.92 1dcj s GLU 67 N -4.08 0.15 -0.10 1.68 0.41 0.52 -4.88 118.70 112.40 1dcj s GLU 67 Ca 0.38 -0.07 0.23 0.00 -0.41 0.00 0.00 54.97 55.10 1dcj s GLU 67 Cb -0.09 -1.67 0.45 0.00 -1.78 0.00 0.00 34.13 31.03 1dcj s GLU 67 CO 0.31 -0.61 1.16 0.25 -0.49 0.00 0.00 175.26 175.88 1dcj n THR 68 N 5.24 0.65 1.81 3.63 -2.24 -1.26 -1.52 114.28 120.60 1dcj n THR 68 Ca -0.07 -1.85 0.08 0.00 -2.27 0.00 0.00 64.05 59.94 1dcj n THR 68 Cb 0.49 0.85 0.46 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.01 0.00 0.00 3.42 9.92 -1.26 -4.84 116.55 123.80 1dcj n ASP 69 Ca 0.09 -1.33 0.00 0.00 -0.53 0.00 0.00 54.79 53.02 1dcj n ASP 69 Cb 1.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 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 3.87 2.62 0.44 0.00 -1.26 -5.09 105.19 106.39 1dcj n GLY 70 Ca 0.12 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.39 -4.82 0.99 4.77 -1.26 -4.47 117.00 109.82 1dcj n LEU 71 Ca 0.00 0.63 -0.34 0.00 -0.03 0.00 0.00 56.01 56.27 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 -3.43 0.61 -2.16 -1.33 0.00 0.00 177.39 171.08 1dcj s PRO 72 N -0.80 4.26 0.88 3.23 0.04 -1.26 -5.13 135.00 136.23 1dcj s PRO 72 Ca 0.47 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 1dcj s PRO 72 Cb -0.49 -2.36 0.12 0.00 0.04 0.00 0.00 34.50 31.80 1dcj s PRO 72 CO 0.50 0.07 1.10 0.71 0.04 0.00 0.00 177.00 179.43 1dcj s TYR 73 N -2.02 2.45 0.01 0.56 2.02 0.54 -4.75 117.35 116.16 1dcj s TYR 73 Ca 0.58 1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 58.33 1dcj s TYR 73 Cb -0.11 -3.18 0.01 0.00 -0.40 0.00 0.00 41.96 38.28 1dcj s TYR 73 CO 0.16 -2.27 0.24 1.03 -1.57 0.00 0.00 175.55 173.14 1dcj s ARG 74 N -5.02 0.64 -0.20 -0.62 0.52 -0.58 -0.84 118.95 112.84 1dcj s ARG 74 Ca 0.63 -0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 55.38 1dcj s ARG 74 Cb -0.17 0.27 0.08 0.00 0.52 0.00 0.00 34.95 35.66 1dcj s ARG 74 CO 0.56 -0.18 0.45 0.71 0.02 0.00 0.00 175.30 176.86 1dcj s TYR 75 N -1.71 -0.77 0.32 -0.53 2.02 -0.11 0.20 117.35 116.76 1dcj s TYR 75 Ca -0.11 1.52 -0.10 0.00 -0.37 0.00 0.00 57.07 58.01 1dcj s TYR 75 Cb -0.05 0.34 -0.07 0.00 -0.40 0.00 0.00 41.96 41.79 1dcj s TYR 75 CO 0.01 -0.44 0.66 -1.17 -1.57 0.00 0.00 175.55 173.04 1dcj s LEU 76 N 2.05 4.02 -0.21 -1.29 2.96 0.25 -1.63 118.68 124.83 1dcj s LEU 76 Ca -0.06 1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1dcj s LEU 76 Cb -0.10 -3.85 0.09 0.00 0.50 0.00 0.00 46.19 42.84 1dcj s LEU 76 CO -0.14 -0.23 0.20 -0.63 -1.32 0.00 0.00 176.35 174.23 1dcj s ILE 77 N -2.08 -0.27 -0.41 6.68 1.01 0.08 0.25 121.20 126.46 1dcj s ILE 77 Ca 0.49 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 1dcj s ILE 77 Cb -0.11 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 1dcj s ILE 77 CO 0.25 -0.29 1.62 -0.60 0.00 0.00 0.00 174.94 175.92 1dcj s ARG 78 N 2.28 3.36 0.33 2.79 3.52 0.21 -2.02 118.95 129.43 1dcj s ARG 78 Ca 0.06 1.07 -0.29 0.00 -0.13 0.00 0.00 55.73 56.44 1dcj s ARG 78 Cb -0.16 -4.14 -0.12 0.00 -1.56 0.00 0.00 34.95 28.98 1dcj s ARG 78 CO -0.15 -1.83 1.52 1.17 -0.81 0.00 0.00 175.30 175.20 1dcj n LYS 79 N 8.38 2.62 -1.72 5.12 0.00 -0.71 -1.59 118.16 130.26 1dcj n LYS 79 Ca 0.19 0.92 -0.02 0.00 0.00 0.00 0.00 58.31 59.40 1dcj n LYS 79 Cb 0.48 -2.66 0.01 0.00 0.00 0.00 0.00 35.03 32.85 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 1.36 1.72 0.00 3.14 0.00 -1.26 -0.72 105.19 109.43 1dcj n GLY 80 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93