#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcg s ASP 2 N 0.00 7.17 0.09 6.12 1.01 -1.26 -1.30 116.67 128.51 3dcg s ASP 2 Ca 0.00 2.05 0.09 0.00 0.71 0.00 0.00 52.55 55.40 3dcg s ASP 2 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3dcg s ASP 2 CO 0.00 -0.19 -0.21 0.68 0.21 0.00 0.00 175.17 175.66 3dcg s VAL 3 N -1.42 2.63 -0.06 -1.27 -7.23 0.56 -4.50 120.40 109.10 3dcg s VAL 3 Ca 0.49 -1.46 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 3dcg s VAL 3 Cb -0.25 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 3dcg s VAL 3 CO 0.32 0.19 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.69 3dcg s PHE 4 N -1.03 2.43 0.01 2.82 0.40 -0.35 -1.45 117.98 120.81 3dcg s PHE 4 Ca 0.15 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 3dcg s PHE 4 Cb -0.10 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 3dcg s PHE 4 CO 0.07 -0.24 -0.05 -0.51 0.70 0.00 0.00 175.22 175.19 3dcg s LEU 5 N -0.11 2.09 -0.36 -0.37 1.43 -0.05 -1.96 118.68 119.36 3dcg s LEU 5 Ca -0.05 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3dcg s LEU 5 Cb -0.14 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 45.92 3dcg s LEU 5 CO 0.04 -0.04 0.17 -0.04 0.23 0.00 0.00 176.35 176.71 3dcg s MET 6 N -0.61 2.74 -0.26 1.70 -1.94 0.29 -1.76 119.30 119.47 3dcg s MET 6 Ca -0.03 -1.12 -0.22 0.00 -1.71 0.00 0.00 55.69 52.61 3dcg s MET 6 Cb -0.05 -3.63 -0.01 0.00 2.01 0.00 0.00 34.83 33.16 3dcg s MET 6 CO -0.00 -0.69 0.72 0.42 -0.01 0.00 0.00 175.02 175.46 3dcg s ILE 7 N 1.49 4.91 -0.11 2.53 1.01 0.10 -0.62 121.20 130.50 3dcg s ILE 7 Ca 0.01 1.29 0.02 0.00 0.00 0.00 0.00 60.65 61.97 3dcg s ILE 7 Cb -0.19 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.26 3dcg s ILE 7 CO 0.05 -0.05 -0.17 -0.13 0.00 0.00 0.00 174.94 174.64 3dcg s ARG 8 N 2.68 2.44 -0.04 2.79 0.52 0.41 -0.74 118.95 127.02 3dcg s ARG 8 Ca 0.30 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3dcg s ARG 8 Cb -0.15 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.32 3dcg s ARG 8 CO 0.09 -0.03 -0.01 0.50 0.02 0.00 0.00 175.30 175.86 3dcg s ARG 9 N 0.89 0.45 2.46 3.54 3.52 -0.71 -1.18 118.95 127.93 3dcg s ARG 9 Ca -0.08 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3dcg s ARG 9 Cb -0.15 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 3dcg s ARG 9 CO -0.01 -0.15 0.00 1.58 -0.81 0.00 0.00 175.30 175.92 3dcg n HIS 10 N 4.26 0.00 -1.20 5.12 -0.00 0.23 -0.70 115.22 122.94 3dcg n HIS 10 Ca -0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.46 3dcg n HIS 10 Cb 0.50 0.00 0.24 0.00 -0.00 0.00 0.00 29.99 30.74 3dcg n HIS 10 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3dcg n LYS 11 N 2.22 2.67 -4.74 1.57 5.02 -1.26 -0.69 118.16 122.95 3dcg n LYS 11 Ca 0.00 -3.05 -0.33 0.00 -2.02 0.00 0.00 58.31 52.92 3dcg n LYS 11 Cb 0.00 -1.96 -0.16 0.00 -0.02 0.00 0.00 35.03 32.89 3dcg n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dcg s THR 12 N -3.07 2.42 -0.13 -0.18 2.01 0.12 -5.09 115.64 111.72 3dcg s THR 12 Ca 0.48 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.63 3dcg s THR 12 Cb 0.40 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.94 3dcg s THR 12 CO 0.07 0.53 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.48 3dcg s THR 13 N 0.67 1.69 -0.34 -0.82 2.01 -1.26 -1.73 115.64 115.86 3dcg s THR 13 Ca -0.09 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 3dcg s THR 13 Cb -0.16 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 3dcg s THR 13 CO 0.02 0.48 0.22 -0.63 -0.69 0.00 0.00 174.62 174.02 3dcg s ILE 14 N 1.09 5.10 -0.38 1.82 1.01 0.08 -4.92 121.20 125.01 3dcg s ILE 14 Ca -0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 3dcg s ILE 14 Cb -0.14 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3dcg s ILE 14 CO -0.05 -0.02 0.79 -0.36 0.00 0.00 0.00 174.94 175.31 3dcg s PHE 15 N 1.69 3.09 0.24 3.97 0.40 -1.26 -0.72 117.98 125.38 3dcg s PHE 15 Ca 0.06 0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 56.84 3dcg s PHE 15 Cb -0.17 -3.46 -0.03 0.00 0.51 0.00 0.00 43.02 39.87 3dcg s PHE 15 CO 0.09 -0.79 0.27 -0.08 0.70 0.00 0.00 175.22 175.42 3dcg s THR 16 N 3.15 0.00 0.06 0.64 -1.32 -0.72 -5.02 115.64 112.44 3dcg s THR 16 Ca 0.31 -1.80 0.01 0.00 -1.21 0.00 0.00 61.69 59.01 3dcg s THR 16 Cb -0.13 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 3dcg s THR 16 CO 0.18 0.00 -0.06 1.51 -2.21 0.00 0.00 174.62 174.04 3dcg s ASP 17 N -3.15 0.84 0.19 8.08 -4.77 -1.26 -0.87 116.67 115.73 3dcg s ASP 17 Ca 0.34 -0.80 -0.02 0.00 -3.30 0.00 0.00 52.55 48.77 3dcg s ASP 17 Cb 0.04 0.09 0.01 0.00 -1.09 0.00 0.00 42.92 41.97 3dcg s ASP 17 CO 0.14 -0.38 0.28 0.00 0.70 0.00 0.00 175.17 175.90 3dcg n ALA 18 N 0.67 -0.29 -2.90 2.11 0.00 -0.53 -4.98 120.51 114.58 3dcg n ALA 18 Ca -0.17 -0.81 -0.27 0.00 0.00 0.00 0.00 53.44 52.18 3dcg n ALA 18 Cb 0.58 0.65 -0.04 0.00 0.00 0.00 0.00 19.45 20.64 3dcg n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dcg s LYS 19 N -2.35 3.31 0.51 0.00 1.02 -1.26 -0.32 119.74 120.64 3dcg s LYS 19 Ca 0.14 -0.62 0.24 0.00 0.02 0.00 0.00 55.97 55.75 3dcg s LYS 19 Cb -0.01 -2.91 1.33 0.00 -0.52 0.00 0.00 37.83 35.72 3dcg s LYS 19 CO 0.10 0.54 1.96 0.93 -0.92 0.00 0.00 175.35 177.95 3dcg h GLU 20 N 2.44 0.10 -0.00 1.68 5.08 -1.48 -0.38 114.58 122.02 3dcg h GLU 20 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3dcg h GLU 20 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3dcg h GLU 20 CO 0.69 0.06 -0.11 -1.13 -1.00 0.00 0.00 179.01 177.52 3dcg n SER 21 N -4.39 0.44 -4.76 1.42 3.41 -1.26 -1.36 113.62 107.13 3dcg n SER 21 Ca 0.12 -0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 57.80 3dcg n SER 21 Cb 0.65 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 3dcg n SER 21 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3dcg s SER 22 N -2.51 6.69 0.61 4.04 0.01 -0.15 -4.79 113.70 117.61 3dcg s SER 22 Ca 0.28 2.71 -0.13 0.00 1.31 0.00 0.00 55.95 60.12 3dcg s SER 22 Cb 0.20 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 3dcg s SER 22 CO 0.48 -0.62 1.03 0.42 0.41 0.00 0.00 173.24 174.96 3dcg s THR 23 N -0.75 4.31 0.39 1.44 -4.23 -1.26 0.05 115.64 115.58 3dcg s THR 23 Ca 0.53 0.90 0.11 0.00 -1.18 0.00 0.00 61.69 62.05 3dcg s THR 23 Cb -0.41 -3.61 0.33 0.00 1.34 0.00 0.00 72.50 70.15 3dcg s THR 23 CO 0.51 -0.83 1.90 0.58 -0.54 0.00 0.00 174.62 176.24 3dcg h VAL 24 N 0.03 0.85 -0.71 2.29 2.07 -0.89 -2.38 116.25 117.51 3dcg h VAL 24 Ca -0.45 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3dcg h VAL 24 Cb 1.20 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3dcg h VAL 24 CO 0.60 0.11 0.45 0.15 0.02 0.00 0.00 177.57 178.89 3dcg h PHE 25 N 0.58 0.85 -0.67 1.57 3.57 -1.60 -2.18 116.94 119.06 3dcg h PHE 25 Ca 0.39 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 3dcg h PHE 25 Cb 0.70 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3dcg h PHE 25 CO -0.00 0.50 0.41 0.93 -2.23 0.00 0.00 178.31 177.91 3dcg h GLU 26 N 0.89 0.90 -0.78 1.11 5.08 -1.73 -1.89 114.58 118.16 3dcg h GLU 26 Ca 0.28 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3dcg h GLU 26 Cb -0.01 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3dcg h GLU 26 CO -0.10 0.63 0.39 -0.07 -1.00 0.00 0.00 179.01 178.86 3dcg h LEU 27 N 0.92 1.01 -1.57 1.33 3.38 -1.31 -2.55 115.31 116.52 3dcg h LEU 27 Ca 0.24 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3dcg h LEU 27 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3dcg h LEU 27 CO -0.05 0.85 -0.19 0.11 0.09 0.00 0.00 178.44 179.25 3dcg h LYS 28 N 1.09 0.03 -0.21 1.13 1.57 -0.77 -2.03 116.57 117.39 3dcg h LYS 28 Ca 0.27 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3dcg h LYS 28 Cb 0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3dcg h LYS 28 CO -0.04 0.23 -0.12 0.00 -0.57 0.00 0.00 179.45 178.95 3dcg h ARG 29 N 0.03 0.45 -0.50 3.15 2.47 -1.07 0.48 114.38 119.40 3dcg h ARG 29 Ca 0.00 -0.21 0.10 0.00 -1.26 0.00 0.00 59.98 58.62 3dcg h ARG 29 Cb 0.36 -0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.58 3dcg h ARG 29 CO 0.03 0.75 -0.06 0.82 0.56 0.00 0.00 179.97 182.06 3dcg h ILE 30 N 0.15 0.55 -0.78 2.04 2.04 -1.10 0.45 117.51 120.86 3dcg h ILE 30 Ca 0.04 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3dcg h ILE 30 Cb 0.62 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3dcg h ILE 30 CO 0.03 0.01 0.39 0.58 0.00 0.00 0.00 178.15 179.16 3dcg h VAL 31 N 0.05 1.25 -1.00 1.67 2.07 -1.25 -2.23 116.25 116.81 3dcg h VAL 31 Ca 0.25 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3dcg h VAL 31 Cb 0.38 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3dcg h VAL 31 CO -0.47 0.29 0.65 -0.08 0.02 0.00 0.00 177.57 177.99 3dcg h GLU 32 N 1.10 1.22 -0.16 1.57 4.81 -0.27 0.56 114.58 123.42 3dcg h GLU 32 Ca 0.27 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3dcg h GLU 32 Cb 0.10 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3dcg h GLU 32 CO -0.04 0.81 -0.12 0.78 -0.73 0.00 0.00 179.01 179.72 3dcg h GLY 33 N 1.26 0.27 0.04 1.92 0.00 -0.36 -0.90 103.07 105.29 3dcg h GLY 33 Ca 0.40 -0.16 -0.29 0.00 0.00 0.00 0.00 47.33 47.28 3dcg h GLY 33 CO -0.13 0.15 -1.57 1.39 0.00 0.00 0.00 176.54 176.38 3dcg n ILE 34 N -4.28 1.55 0.89 2.60 5.41 -0.92 -4.63 119.36 119.99 3dcg n ILE 34 Ca -0.01 -0.14 0.10 0.00 1.00 0.00 0.00 62.75 63.71 3dcg n ILE 34 Cb 0.26 -1.98 0.05 0.00 -0.71 0.00 0.00 39.64 37.26 3dcg n ILE 34 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3dcg n LEU 35 N -4.32 2.42 -3.11 1.39 4.77 0.19 -4.99 117.00 113.34 3dcg n LEU 35 Ca -0.37 -0.90 -0.22 0.00 -0.03 0.00 0.00 56.01 54.49 3dcg n LEU 35 Cb 0.75 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.89 3dcg n LEU 35 CO 0.18 0.42 0.09 0.29 -1.33 0.00 0.00 177.39 177.04 3dcg n LYS 36 N 0.69 -5.87 -4.06 3.23 4.76 -0.34 -4.99 118.16 111.57 3dcg n LYS 36 Ca 0.11 0.84 -0.28 0.00 -2.87 0.00 0.00 58.31 56.11 3dcg n LYS 36 Cb 0.49 -5.68 -0.17 0.00 -1.84 0.00 0.00 35.03 27.83 3dcg n LYS 36 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dcg s ARG 37 N -5.89 1.81 0.91 1.97 1.81 -1.26 -5.05 118.95 113.25 3dcg s ARG 37 Ca 0.40 -0.38 -0.11 0.00 -1.72 0.00 0.00 55.73 53.92 3dcg s ARG 37 Cb -0.18 -1.73 0.14 0.00 -0.45 0.00 0.00 34.95 32.73 3dcg s ARG 37 CO 0.49 -0.21 1.10 -1.25 -0.68 0.00 0.00 175.30 174.75 3dcg s PRO 38 N 1.47 1.15 0.35 3.54 0.04 -1.26 -3.87 135.00 136.41 3dcg s PRO 38 Ca 0.02 1.11 0.09 0.00 0.04 0.00 0.00 61.00 62.26 3dcg s PRO 38 Cb -0.13 -1.77 0.83 0.00 0.04 0.00 0.00 34.50 33.46 3dcg s PRO 38 CO -0.07 -2.40 1.83 -1.35 0.04 0.00 0.00 177.00 175.05 3dcg h PRO 39 N -1.68 0.66 0.00 0.56 0.11 -1.94 -0.37 132.00 129.33 3dcg h PRO 39 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dcg h PRO 39 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dcg h PRO 39 CO 0.50 0.44 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3dcg n ASP 40 N -4.62 0.00 -1.29 -2.05 5.75 -1.26 -1.95 116.55 111.14 3dcg n ASP 40 Ca 0.20 0.11 0.12 0.00 -0.01 0.00 0.00 54.79 55.21 3dcg n ASP 40 Cb 0.55 -0.34 0.30 0.00 -1.03 0.00 0.00 41.12 40.60 3dcg n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3dcg n GLU 41 N -1.34 2.69 -4.70 0.11 1.02 -0.15 -4.94 120.64 113.32 3dcg n GLU 41 Ca 0.09 -2.57 -0.26 0.00 -0.02 0.00 0.00 57.16 54.40 3dcg n GLU 41 Cb 0.18 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 3dcg n GLU 41 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3dcg s GLN 42 N -1.08 1.43 -0.04 3.49 -0.21 -0.82 -1.09 119.66 121.33 3dcg s GLN 42 Ca 0.46 -0.89 0.07 0.00 0.02 0.00 0.00 55.36 55.02 3dcg s GLN 42 Cb 0.24 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.73 3dcg s GLN 42 CO 0.32 0.39 -0.24 1.03 -2.12 0.00 0.00 175.29 174.67 3dcg s ARG 43 N -1.03 2.33 -0.04 2.91 0.52 -0.09 -4.99 118.95 118.56 3dcg s ARG 43 Ca 0.07 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3dcg s ARG 43 Cb -0.09 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 3dcg s ARG 43 CO 0.01 0.50 -0.12 -0.51 0.02 0.00 0.00 175.30 175.21 3dcg s LEU 44 N -0.46 2.88 0.04 2.53 1.43 -1.26 -1.68 118.68 122.16 3dcg s LEU 44 Ca 0.05 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3dcg s LEU 44 Cb -0.11 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3dcg s LEU 44 CO 0.01 0.33 -0.20 -0.31 0.23 0.00 0.00 176.35 176.41 3dcg s TYR 45 N -0.81 1.73 -0.06 0.29 1.51 -0.38 -0.24 117.35 119.38 3dcg s TYR 45 Ca 0.13 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3dcg s TYR 45 Cb -0.11 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3dcg s TYR 45 CO 0.02 0.08 -0.15 0.21 -1.11 0.00 0.00 175.55 174.61 3dcg s LYS 46 N -1.16 1.89 -1.47 -0.62 2.20 -0.39 -0.88 119.74 119.30 3dcg s LYS 46 Ca 0.07 -0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 3dcg s LYS 46 Cb -0.09 -1.55 0.05 0.00 -1.51 0.00 0.00 37.83 34.74 3dcg s LYS 46 CO 0.02 0.10 0.71 -0.25 -0.36 0.00 0.00 175.35 175.57 3dcg n ASP 47 N 3.61 -2.32 -1.40 1.43 8.00 -1.26 -0.86 116.55 123.74 3dcg n ASP 47 Ca -0.21 -0.90 -0.18 0.00 0.71 0.00 0.00 54.79 54.21 3dcg n ASP 47 Cb 0.52 -3.48 -0.08 0.00 -0.02 0.00 0.00 41.12 38.06 3dcg n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dcg n ASP 48 N -2.90 -5.30 -4.28 -2.24 10.43 -1.26 -4.98 116.55 106.01 3dcg n ASP 48 Ca -0.14 0.45 -0.32 0.00 2.57 0.00 0.00 54.79 57.35 3dcg n ASP 48 Cb 0.60 -4.41 -0.16 0.00 1.84 0.00 0.00 41.12 38.99 3dcg n ASP 48 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3dcg s GLN 49 N -3.54 3.19 0.25 -1.24 -0.21 -0.04 -5.10 119.66 112.97 3dcg s GLN 49 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.29 3dcg s GLN 49 Cb 0.00 -2.46 -0.10 0.00 1.00 0.00 0.00 33.01 31.46 3dcg s GLN 49 CO 0.00 0.17 1.35 -1.17 -2.12 0.00 0.00 175.29 173.52 3dcg s LEU 50 N 0.40 4.41 -0.16 2.90 0.20 -1.26 -1.26 118.68 123.91 3dcg s LEU 50 Ca -0.14 2.56 -0.16 0.00 0.69 0.00 0.00 54.13 57.08 3dcg s LEU 50 Cb -0.17 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.92 3dcg s LEU 50 CO 0.07 -0.58 0.37 -0.76 -0.29 0.00 0.00 176.35 175.16 3dcg s LEU 51 N -0.64 4.23 0.01 -0.68 1.43 0.66 -4.90 118.68 118.80 3dcg s LEU 51 Ca 0.55 0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 53.95 3dcg s LEU 51 Cb -0.39 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 3dcg s LEU 51 CO 0.43 0.03 1.28 -0.62 0.23 0.00 0.00 176.35 177.70 3dcg s ASP 52 N 0.65 6.98 0.38 2.29 -1.08 -1.26 -4.66 116.67 119.97 3dcg s ASP 52 Ca 0.20 2.01 0.10 0.00 -0.52 0.00 0.00 52.55 54.34 3dcg s ASP 52 Cb -0.14 -2.57 0.88 0.00 -1.46 0.00 0.00 42.92 39.63 3dcg s ASP 52 CO 0.07 -0.60 1.92 0.44 0.52 0.00 0.00 175.17 177.52 3dcg h ASP 53 N 7.33 0.56 0.42 -0.34 3.32 -1.97 -2.39 116.42 123.35 3dcg h ASP 53 Ca -0.38 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3dcg h ASP 53 Cb 1.19 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3dcg h ASP 53 CO 0.87 0.32 -0.14 0.61 -1.72 0.00 0.00 179.24 179.17 3dcg n GLY 54 N -1.47 -0.99 3.82 2.75 0.00 -1.26 -1.68 105.19 106.36 3dcg n GLY 54 Ca 0.14 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3dcg n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dcg s LYS 55 N -2.57 4.22 0.75 1.61 -0.14 -0.90 -4.87 119.74 117.84 3dcg s LYS 55 Ca 0.26 0.84 -0.12 0.00 -1.36 0.00 0.00 55.97 55.59 3dcg s LYS 55 Cb 0.20 -2.81 0.05 0.00 -1.68 0.00 0.00 37.83 33.58 3dcg s LYS 55 CO 0.50 0.36 1.11 0.95 -0.76 0.00 0.00 175.35 177.51 3dcg s THR 56 N -1.59 3.15 0.30 2.17 -4.23 -1.26 -0.67 115.64 113.51 3dcg s THR 56 Ca 0.45 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 3dcg s THR 56 Cb -0.16 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 70.97 3dcg s THR 56 CO 0.20 -0.43 1.87 -0.07 -0.54 0.00 0.00 174.62 175.66 3dcg h LEU 57 N -0.78 0.71 -0.62 4.79 3.38 -0.17 -2.43 115.31 120.19 3dcg h LEU 57 Ca -0.45 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3dcg h LEU 57 Cb 1.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3dcg h LEU 57 CO 0.51 0.67 0.23 1.23 0.09 0.00 0.00 178.44 181.18 3dcg h GLY 58 N 0.92 1.01 2.00 0.83 0.00 -1.18 -0.53 103.07 106.12 3dcg h GLY 58 Ca 0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3dcg h GLY 58 CO -0.01 0.53 -0.10 0.83 0.00 0.00 0.00 176.54 177.80 3dcg h GLU 59 N 0.88 0.00 -0.00 4.80 5.08 -1.75 -1.85 114.58 121.73 3dcg h GLU 59 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dcg h GLU 59 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dcg h GLU 59 CO -0.01 0.10 -0.06 0.00 -1.00 0.00 0.00 179.01 178.04 3dcg n GLY 61 N 1.20 0.80 3.42 0.00 0.00 -0.70 -5.03 105.19 104.88 3dcg n GLY 61 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3dcg n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dcg s PHE 62 N -2.00 2.94 0.43 1.61 0.08 -0.30 -4.88 117.98 115.85 3dcg s PHE 62 Ca 0.00 -0.69 0.05 0.00 0.12 0.00 0.00 56.93 56.41 3dcg s PHE 62 Cb 0.00 -3.92 -0.06 0.00 -0.57 0.00 0.00 43.02 38.47 3dcg s PHE 62 CO 0.00 -1.28 0.02 0.95 -0.10 0.00 0.00 175.22 174.80 3dcg s THR 63 N 3.00 1.68 0.52 0.64 -4.23 -1.26 -3.20 115.64 112.80 3dcg s THR 63 Ca 0.16 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.84 3dcg s THR 63 Cb -0.21 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.16 3dcg s THR 63 CO 0.10 0.00 2.15 0.28 -0.54 0.00 0.00 174.62 176.61 3dcg h SER 64 N 1.70 0.00 1.74 3.99 0.02 -1.85 0.16 113.55 119.31 3dcg h SER 64 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3dcg h SER 64 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3dcg h SER 64 CO 0.78 0.00 -0.20 1.56 -1.14 0.00 0.00 176.83 177.83 3dcg h GLN 65 N 0.00 0.00 0.00 3.45 7.50 -1.96 -3.37 115.11 120.73 3dcg h GLN 65 Ca 0.01 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 58.95 3dcg h GLN 65 Cb 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 3dcg h GLN 65 CO -0.00 0.00 -1.94 2.41 -1.50 0.00 0.00 178.83 177.80 3dcg n THR 66 N -2.92 0.79 -3.46 -0.54 -1.04 -0.80 -4.77 114.28 101.54 3dcg n THR 66 Ca 0.03 -0.57 -0.27 0.00 -2.04 0.00 0.00 64.05 61.21 3dcg n THR 66 Cb 0.52 -0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 68.48 3dcg n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dcg n ALA 67 N -2.44 3.04 -2.94 2.41 0.00 0.49 -4.29 120.51 116.79 3dcg n ALA 67 Ca -0.19 -3.70 -0.26 0.00 0.00 0.00 0.00 53.44 49.28 3dcg n ALA 67 Cb 0.86 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3dcg n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dcg s ARG 68 N -0.90 3.43 0.25 0.00 3.00 -1.06 -1.21 118.95 122.47 3dcg s ARG 68 Ca 0.33 -0.61 -0.04 0.00 0.00 0.00 0.00 55.73 55.40 3dcg s ARG 68 Cb 0.07 -2.96 0.36 0.00 0.00 0.00 0.00 34.95 32.42 3dcg s ARG 68 CO -0.15 0.51 1.87 -1.35 0.00 0.00 0.00 175.30 176.19 3dcg h PRO 69 N 2.07 1.06 0.00 3.54 0.11 -1.92 -0.42 132.00 136.44 3dcg h PRO 69 Ca -0.49 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3dcg h PRO 69 Cb 1.20 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3dcg h PRO 69 CO 0.68 0.70 -0.17 1.96 -0.21 0.00 0.00 178.00 180.96 3dcg h GLN 70 N 1.09 0.00 -1.13 1.05 7.50 -2.00 -3.38 115.11 118.24 3dcg h GLN 70 Ca 0.40 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 59.16 3dcg h GLN 70 Cb 0.15 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 27.41 3dcg h GLN 70 CO -0.17 0.17 -0.80 0.00 -1.50 0.00 0.00 178.83 176.54 3dcg n ALA 71 N -2.31 0.56 -1.33 3.87 0.00 -0.32 -5.14 120.51 115.85 3dcg n ALA 71 Ca -0.02 -2.38 -0.31 0.00 0.00 0.00 0.00 53.44 50.74 3dcg n ALA 71 Cb 0.29 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 18.76 3dcg n ALA 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dcg s PRO 72 N -0.17 2.14 0.17 0.00 0.04 -0.33 -2.55 135.00 134.30 3dcg s PRO 72 Ca 0.33 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 3dcg s PRO 72 Cb 0.17 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.75 3dcg s PRO 72 CO -0.17 -1.68 0.53 0.00 0.04 0.00 0.00 177.00 175.72 3dcg s ALA 73 N -2.96 3.59 0.11 8.56 0.00 -0.83 -4.81 121.76 125.43 3dcg s ALA 73 Ca 0.61 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 3dcg s ALA 73 Cb -0.17 -2.45 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 3dcg s ALA 73 CO 0.56 0.49 0.71 0.99 0.00 0.00 0.00 175.76 178.51 3dcg s THR 74 N -1.61 4.56 -0.13 0.00 2.01 -1.26 -0.55 115.64 118.66 3dcg s THR 74 Ca 0.41 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.97 3dcg s THR 74 Cb -0.13 -4.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3dcg s THR 74 CO 0.20 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.76 3dcg s VAL 75 N -0.87 2.57 0.24 3.82 1.01 0.21 -4.83 120.40 122.55 3dcg s VAL 75 Ca 0.34 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 3dcg s VAL 75 Cb -0.21 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 3dcg s VAL 75 CO 0.23 0.53 0.79 -0.83 0.00 0.00 0.00 175.10 175.82 3dcg s GLY 76 N 0.58 2.71 -0.09 4.51 0.00 -0.06 -0.45 107.32 114.52 3dcg s GLY 76 Ca -0.10 0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.92 3dcg s GLY 76 CO 0.03 0.69 -0.12 -2.27 0.00 0.00 0.00 173.10 171.43 3dcg s LEU 77 N -1.88 1.58 -0.06 0.66 2.96 -0.32 -1.25 118.68 120.35 3dcg s LEU 77 Ca 0.44 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3dcg s LEU 77 Cb -0.18 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 3dcg s LEU 77 CO 0.22 -0.01 -0.23 0.00 -1.32 0.00 0.00 176.35 175.02 3dcg s ALA 78 N 1.04 1.99 0.13 5.97 0.00 -0.67 -4.53 121.76 125.69 3dcg s ALA 78 Ca -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3dcg s ALA 78 Cb -0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3dcg s ALA 78 CO -0.01 0.36 0.22 -0.06 0.00 0.00 0.00 175.76 176.26 3dcg s PHE 79 N -0.01 3.39 -0.09 0.00 0.08 -1.26 -0.92 117.98 119.16 3dcg s PHE 79 Ca -0.06 0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 3dcg s PHE 79 Cb -0.14 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3dcg s PHE 79 CO 0.04 0.53 1.14 0.50 -0.10 0.00 0.00 175.22 177.33 3dcg s ARG 80 N -2.99 4.35 0.24 0.44 3.52 -0.25 -2.65 118.95 121.61 3dcg s ARG 80 Ca 0.33 1.57 0.13 0.00 -0.13 0.00 0.00 55.73 57.63 3dcg s ARG 80 Cb -0.11 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3dcg s ARG 80 CO 0.27 -0.45 1.39 0.00 -0.81 0.00 0.00 175.30 175.70 3dcg h ALA 81 N 7.43 0.59 0.00 6.12 0.00 -1.91 -3.47 119.26 128.02 3dcg h ALA 81 Ca -0.31 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3dcg h ALA 81 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3dcg h ALA 81 CO 0.89 0.79 0.00 -0.25 0.00 0.00 0.00 179.25 180.68 3dcg n ASP 83 N -3.25 0.00 -4.41 0.00 9.92 -1.26 -4.92 116.55 112.62 3dcg n ASP 83 Ca 0.01 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.96 3dcg n ASP 83 Cb 0.79 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.13 3dcg n ASP 83 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3dcg s THR 84 N 0.00 2.65 0.07 -3.53 2.01 -1.26 -5.10 115.64 110.48 3dcg s THR 84 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 3dcg s THR 84 Cb 0.00 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 3dcg s THR 84 CO 0.00 0.55 1.12 -0.36 -0.69 0.00 0.00 174.62 175.24 3dcg s PHE 85 N -0.72 3.53 0.73 4.92 0.08 -1.26 -4.52 117.98 120.74 3dcg s PHE 85 Ca 0.11 1.47 -0.14 0.00 0.12 0.00 0.00 56.93 58.49 3dcg s PHE 85 Cb -0.10 -3.31 0.04 0.00 -0.57 0.00 0.00 43.02 39.08 3dcg s PHE 85 CO 0.01 -0.81 1.16 -1.83 -0.10 0.00 0.00 175.22 173.64 3dcg s GLU 86 N 0.73 2.21 0.65 0.44 -1.05 -1.08 -4.93 118.70 115.67 3dcg s GLU 86 Ca 0.55 1.57 -0.15 0.00 -0.15 0.00 0.00 54.97 56.79 3dcg s GLU 86 Cb -0.27 -1.86 -0.00 0.00 -0.44 0.00 0.00 34.13 31.55 3dcg s GLU 86 CO 0.30 -1.74 1.11 0.00 0.95 0.00 0.00 175.26 175.88 3dcg s ALA 87 N -2.26 2.50 -0.18 -0.84 0.00 -1.26 -4.75 121.76 114.96 3dcg s ALA 87 Ca 0.70 0.54 -0.32 0.00 0.00 0.00 0.00 51.96 52.87 3dcg s ALA 87 Cb -0.25 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3dcg s ALA 87 CO 0.47 -1.23 2.07 -0.11 0.00 0.00 0.00 175.76 176.95 3dcg n LEU 88 N -2.37 3.11 -4.22 0.00 7.94 -1.26 -4.94 117.00 115.26 3dcg n LEU 88 Ca 0.10 0.60 -0.36 0.00 -1.11 0.00 0.00 56.01 55.25 3dcg n LEU 88 Cb 0.52 -1.41 -0.13 0.00 0.53 0.00 0.00 43.42 42.93 3dcg n LEU 88 CO 0.48 -0.39 -0.32 0.00 -1.11 0.00 0.00 177.39 176.05 3dcg s ILE 90 N 1.33 1.38 -0.02 0.00 1.01 -1.26 0.74 121.20 124.38 3dcg s ILE 90 Ca -0.03 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 3dcg s ILE 90 Cb -0.19 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3dcg s ILE 90 CO 0.01 0.41 0.52 -0.70 0.00 0.00 0.00 174.94 175.18 3dcg s GLU 91 N 0.81 4.22 0.62 2.79 2.56 0.13 -4.86 118.70 124.97 3dcg s GLU 91 Ca -0.11 0.60 -0.16 0.00 0.00 0.00 0.00 54.97 55.30 3dcg s GLU 91 Cb -0.16 -3.32 -0.02 0.00 2.00 0.00 0.00 34.13 32.63 3dcg s GLU 91 CO 0.02 0.44 1.09 -1.25 -0.56 0.00 0.00 175.26 174.99 3dcg s PRO 92 N -0.35 3.08 0.92 4.30 0.04 -1.26 -4.85 135.00 136.88 3dcg s PRO 92 Ca 0.28 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 3dcg s PRO 92 Cb -0.17 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.52 3dcg s PRO 92 CO 0.15 -1.02 1.10 -0.06 0.04 0.00 0.00 177.00 177.21 3dcg s PHE 93 N -2.35 2.01 0.63 0.56 0.08 -1.26 -4.99 117.98 112.65 3dcg s PHE 93 Ca 0.66 1.47 -0.19 0.00 0.12 0.00 0.00 56.93 58.99 3dcg s PHE 93 Cb -0.19 -3.18 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 3dcg s PHE 93 CO 0.38 -2.63 1.30 -1.13 -0.10 0.00 0.00 175.22 173.04 3dcg n SER 94 N -4.08 2.16 -4.68 1.36 3.41 -1.26 -4.95 113.62 105.58 3dcg n SER 94 Ca 0.08 0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 59.12 3dcg n SER 94 Cb 0.54 -1.56 -0.02 0.00 -0.26 0.00 0.00 64.21 62.90 3dcg n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dcg s SER 95 N -1.31 7.11 0.45 4.04 0.15 -1.26 -5.02 113.70 117.86 3dcg s SER 95 Ca 0.81 1.59 -0.25 0.00 0.70 0.00 0.00 55.95 58.81 3dcg s SER 95 Cb -0.39 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.29 3dcg s SER 95 CO 0.42 -0.59 1.28 -0.81 1.20 0.00 0.00 173.24 174.73 3dcg n PRO 96 N 5.67 1.87 -0.83 5.44 -0.04 -1.26 -5.00 135.00 140.85 3dcg n PRO 96 Ca 0.11 0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 63.95 3dcg n PRO 96 Cb 0.47 -2.42 0.23 0.00 -0.04 0.00 0.00 33.50 31.74 3dcg n PRO 96 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3dcg s PRO 97 N -2.35 -0.85 0.22 0.54 0.02 -1.26 -5.06 135.00 126.25 3dcg s PRO 97 Ca 0.63 0.46 0.07 0.00 0.02 0.00 0.00 61.00 62.18 3dcg s PRO 97 Cb -0.48 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3dcg s PRO 97 CO 0.56 -3.58 0.09 -2.00 -0.33 0.00 0.00 177.00 171.74 3dcg s GLU 98 N -4.87 2.65 0.84 5.54 2.12 -1.26 -5.14 118.70 118.58 3dcg s GLU 98 Ca 0.68 -1.11 -0.11 0.00 0.36 0.00 0.00 54.97 54.79 3dcg s GLU 98 Cb -0.19 -2.44 0.14 0.00 0.26 0.00 0.00 34.13 31.90 3dcg s GLU 98 CO 0.60 0.42 1.18 -0.51 -0.54 0.00 0.00 175.26 176.41 3dcg s LEU 99 N -3.42 2.75 0.00 2.70 1.43 -1.26 -5.35 118.68 115.53 3dcg s LEU 99 Ca 0.31 0.27 0.27 0.00 -1.03 0.00 0.00 54.13 53.94 3dcg s LEU 99 Cb -0.08 -2.56 0.77 0.00 0.03 0.00 0.00 46.19 44.35 3dcg s LEU 99 CO 0.22 -2.21 1.59 -0.81 0.23 0.00 0.00 176.35 175.37