#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7j n HIS 0 N 0.00 -0.97 -4.04 1.43 1.44 -1.26 -5.24 115.22 106.59 3d7j n HIS 0 Ca 0.00 -0.72 -0.10 0.00 -2.01 0.00 0.00 57.72 54.89 3d7j n HIS 0 Cb 0.00 -0.13 -0.11 0.00 0.12 0.00 0.00 29.99 29.87 3d7j n HIS 0 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3d7j s PHE 2 N -0.95 0.48 0.12 -1.40 0.40 -0.05 -4.77 117.98 111.80 3d7j s PHE 2 Ca 0.08 -0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 3d7j s PHE 2 Cb -0.01 -0.31 0.01 0.00 0.51 0.00 0.00 43.02 43.22 3d7j s PHE 2 CO 0.05 -0.18 0.27 -1.54 0.70 0.00 0.00 175.22 174.52 3d7j s SER 3 N -1.82 0.01 0.09 1.36 1.04 -1.26 -0.95 113.70 112.17 3d7j s SER 3 Ca -0.09 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3d7j s SER 3 Cb -0.06 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3d7j s SER 3 CO -0.02 -0.80 -0.12 0.27 0.98 0.00 0.00 173.24 173.55 3d7j s ILE 4 N -3.87 1.01 -0.02 -1.02 -5.25 -0.49 -4.98 121.20 106.58 3d7j s ILE 4 Ca 0.07 -1.50 0.02 0.00 -0.99 0.00 0.00 60.65 58.24 3d7j s ILE 4 Cb 0.04 -1.23 0.01 0.00 2.95 0.00 0.00 42.46 44.22 3d7j s ILE 4 CO -0.09 -0.43 -0.05 -0.89 -1.79 0.00 0.00 174.94 171.69 3d7j s THR 5 N -1.97 0.51 0.11 8.37 2.01 -1.26 -0.73 115.64 122.68 3d7j s THR 5 Ca 0.02 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 61.91 3d7j s THR 5 Cb -0.06 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 3d7j s THR 5 CO 0.01 0.18 -0.22 0.68 -0.69 0.00 0.00 174.62 174.57 3d7j s VAL 6 N 0.30 1.85 -0.06 3.82 -7.23 -0.53 -4.95 120.40 113.61 3d7j s VAL 6 Ca -0.04 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 3d7j s VAL 6 Cb -0.08 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3d7j s VAL 6 CO -0.00 -0.03 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.92 3d7j s ARG 7 N -1.98 2.54 0.03 4.82 3.52 -1.26 -0.85 118.95 125.77 3d7j s ARG 7 Ca 0.09 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3d7j s ARG 7 Cb -0.10 -2.18 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 3d7j s ARG 7 CO 0.05 0.41 0.02 -3.47 -0.81 0.00 0.00 175.30 171.49 3d7j n ASP 8 N 2.88 0.38 -3.54 -2.12 -0.08 0.18 -4.98 116.55 109.28 3d7j n ASP 8 Ca -0.17 -1.18 -0.15 0.00 -1.51 0.00 0.00 54.79 51.77 3d7j n ASP 8 Cb 0.52 0.11 -0.05 0.00 2.34 0.00 0.00 41.12 44.04 3d7j n ASP 8 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 3d7j s HIS 9 N -1.91 -0.53 0.00 -0.67 -3.43 -1.26 -0.44 115.29 107.04 3d7j s HIS 9 Ca 0.03 0.74 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 3d7j s HIS 9 Cb 0.00 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 3d7j s HIS 9 CO 0.02 -0.64 0.00 0.44 -2.00 0.00 0.00 174.74 172.56 3d7j n ILE 10 N 0.58 0.00 0.00 -5.38 -5.35 -0.23 -4.95 119.36 104.02 3d7j n ILE 10 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3d7j n ILE 10 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3d7j n ILE 10 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 3d7j n ILE 12 N 0.00 0.00 -4.24 7.28 -6.64 -0.59 -0.84 119.36 114.34 3d7j n ILE 12 Ca 0.00 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 3d7j n ILE 12 Cb 0.00 0.00 -0.09 0.00 -1.44 0.00 0.00 39.64 38.11 3d7j n ILE 12 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3d7j s ALA 13 N -2.00 3.16 0.08 -1.28 0.00 0.28 -1.19 121.76 120.81 3d7j s ALA 13 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 3d7j s ALA 13 Cb 0.00 -1.13 0.09 0.00 0.00 0.00 0.00 23.12 22.07 3d7j s ALA 13 CO 0.00 0.66 1.05 -3.38 0.00 0.00 0.00 175.76 174.10 3d7j s HIS 14 N -1.20 -0.13 0.11 0.00 -3.43 -0.06 0.08 115.29 110.67 3d7j s HIS 14 Ca 0.22 -0.10 0.02 0.00 -0.80 0.00 0.00 55.06 54.40 3d7j s HIS 14 Cb -0.11 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 3d7j s HIS 14 CO 0.14 -0.63 -0.06 -1.54 -2.00 0.00 0.00 174.74 170.65 3d7j s SER 15 N -2.88 1.25 0.09 7.38 1.04 -1.26 -1.25 113.70 118.06 3d7j s SER 15 Ca 0.12 -1.03 0.06 0.00 0.48 0.00 0.00 55.95 55.58 3d7j s SER 15 Cb 0.00 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3d7j s SER 15 CO -0.01 -0.46 -0.08 -0.36 0.98 0.00 0.00 173.24 173.31 3d7j s PHE 16 N -3.58 2.80 -0.23 5.02 2.99 -0.71 -4.74 117.98 119.52 3d7j s PHE 16 Ca 0.14 -0.12 -0.14 0.00 0.00 0.00 0.00 56.93 56.81 3d7j s PHE 16 Cb 0.05 -1.47 -0.04 0.00 0.00 0.00 0.00 43.02 41.56 3d7j s PHE 16 CO -0.03 0.43 0.34 1.03 -0.00 0.00 0.00 175.22 176.99 3d7j s ARG 17 N -2.13 4.11 0.00 0.44 0.52 -1.26 -4.18 118.95 116.46 3d7j s ARG 17 Ca 0.22 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 3d7j s ARG 17 Cb -0.11 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.79 3d7j s ARG 17 CO 0.14 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.80 3d7j n GLY 18 N 4.18 3.87 0.40 -3.53 0.00 -1.26 -4.87 105.19 103.98 3d7j n GLY 18 Ca -0.10 -1.35 0.22 0.00 0.00 0.00 0.00 46.02 44.79 3d7j n GLY 18 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3d7j h ASP 19 N 0.00 0.00 -0.09 1.61 3.58 -1.95 -1.56 116.42 118.01 3d7j h ASP 19 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 3d7j h ASP 19 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 3d7j h ASP 19 CO 0.00 0.00 0.07 1.62 -2.88 0.00 0.00 179.24 178.05 3d7j h VAL 20 N 0.00 0.86 -0.00 2.25 3.04 -2.00 -2.48 116.25 117.92 3d7j h VAL 20 Ca 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 3d7j h VAL 20 Cb 1.18 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3d7j h VAL 20 CO -0.00 0.00 -0.13 0.49 -1.01 0.00 0.00 177.57 176.92 3d7j n PHE 21 N -4.37 0.00 0.00 3.17 3.72 -0.59 -4.98 117.46 114.41 3d7j n PHE 21 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3d7j n PHE 21 Cb 0.18 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 3d7j n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d7j n GLY 22 N 1.40 3.42 0.32 1.37 0.00 -0.94 -1.03 105.19 109.72 3d7j n GLY 22 Ca 0.10 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.35 3d7j n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d7j h PRO 23 N 0.00 0.00 0.00 1.61 0.13 -1.93 -2.12 132.00 129.68 3d7j h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3d7j h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3d7j h PRO 23 CO 0.00 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 177.78 3d7j n ALA 24 N -2.10 2.24 0.29 -0.56 0.00 -0.20 -1.87 120.51 118.30 3d7j n ALA 24 Ca -0.02 -0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.46 3d7j n ALA 24 Cb 0.15 -1.31 0.57 0.00 0.00 0.00 0.00 19.45 18.86 3d7j n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3d7j h GLN 25 N 0.00 0.00 -7.12 0.00 4.20 -1.51 -1.90 115.11 108.78 3d7j h GLN 25 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 3d7j h GLN 25 Cb 0.00 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.81 3d7j h GLN 25 CO 0.00 0.00 0.38 1.03 -0.67 0.00 0.00 178.83 179.57 3d7j s ARG 26 N -3.54 3.73 0.00 1.46 0.52 -0.78 -4.25 118.95 116.09 3d7j s ARG 26 Ca 0.03 1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 56.18 3d7j s ARG 26 Cb 0.08 -2.09 -0.08 0.00 0.52 0.00 0.00 34.95 33.38 3d7j s ARG 26 CO 0.56 -0.48 1.97 -1.17 0.02 0.00 0.00 175.30 176.20 3d7j s LEU 27 N -3.82 4.33 0.00 2.53 2.96 -1.26 -4.44 118.68 118.98 3d7j s LEU 27 Ca 0.65 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 3d7j s LEU 27 Cb -0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3d7j s LEU 27 CO 0.25 -1.14 0.00 0.00 -1.32 0.00 0.00 176.35 174.15 3d7j n HIS 28 N 7.92 0.00 -3.82 5.38 1.44 -0.38 -4.98 115.22 120.78 3d7j n HIS 28 Ca 0.21 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.90 3d7j n HIS 28 Cb 0.42 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.54 3d7j n HIS 28 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3d7j n GLY 29 N 0.00 0.69 3.43 -1.39 0.00 -1.26 -0.88 105.19 105.78 3d7j n GLY 29 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 3d7j n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7j s ALA 30 N -1.77 -1.62 -0.20 4.61 0.00 -0.33 -4.94 121.76 117.50 3d7j s ALA 30 Ca 0.18 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 3d7j s ALA 30 Cb -0.02 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3d7j s ALA 30 CO 0.03 -0.76 0.09 0.99 0.00 0.00 0.00 175.76 176.12 3d7j s THR 31 N -3.66 4.95 -0.21 0.00 2.01 -1.26 -1.54 115.64 115.94 3d7j s THR 31 Ca 0.01 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 3d7j s THR 31 Cb -0.01 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3d7j s THR 31 CO -0.12 0.43 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.78 3d7j s PHE 32 N 0.56 2.90 0.12 4.92 0.08 -0.02 -4.32 117.98 122.22 3d7j s PHE 32 Ca 0.05 -1.17 -0.30 0.00 0.12 0.00 0.00 56.93 55.62 3d7j s PHE 32 Cb -0.12 -2.04 -0.07 0.00 -0.57 0.00 0.00 43.02 40.22 3d7j s PHE 32 CO 0.01 -0.63 1.21 -0.51 -0.10 0.00 0.00 175.22 175.19 3d7j s LEU 33 N 1.40 4.41 -0.23 -0.37 1.43 -0.51 -1.07 118.68 123.73 3d7j s LEU 33 Ca 0.05 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 3d7j s LEU 33 Cb -0.14 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.54 3d7j s LEU 33 CO -0.06 -0.43 -0.14 -0.69 0.23 0.00 0.00 176.35 175.25 3d7j s VAL 34 N 0.57 2.14 -0.23 -1.59 1.01 0.41 -0.83 120.40 121.88 3d7j s VAL 34 Ca 0.56 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 3d7j s VAL 34 Cb -0.31 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3d7j s VAL 34 CO 0.32 0.15 0.04 -1.81 0.00 0.00 0.00 175.10 173.80 3d7j s ASP 35 N 1.16 4.99 -0.24 3.32 1.01 0.12 -0.64 116.67 126.39 3d7j s ASP 35 Ca -0.05 -0.20 -0.05 0.00 0.71 0.00 0.00 52.55 52.96 3d7j s ASP 35 Cb -0.18 -1.88 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 3d7j s ASP 35 CO -0.08 0.02 0.01 0.00 0.21 0.00 0.00 175.17 175.33 3d7j s ALA 36 N 1.30 2.97 -0.18 5.23 0.00 -0.03 -0.91 121.76 130.15 3d7j s ALA 36 Ca 0.04 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 3d7j s ALA 36 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 3d7j s ALA 36 CO 0.02 -0.52 0.04 0.99 0.00 0.00 0.00 175.76 176.30 3d7j s THR 37 N 1.53 4.61 -0.12 0.00 2.01 0.11 -1.46 115.64 122.32 3d7j s THR 37 Ca 0.06 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.97 3d7j s THR 37 Cb -0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 3d7j s THR 37 CO -0.00 0.47 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.86 3d7j s PHE 38 N 0.37 2.71 0.09 4.92 0.08 0.09 -0.96 117.98 125.27 3d7j s PHE 38 Ca 0.02 -0.87 0.08 0.00 0.12 0.00 0.00 56.93 56.28 3d7j s PHE 38 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3d7j s PHE 38 CO 0.01 -0.34 -0.22 -0.98 -0.10 0.00 0.00 175.22 173.59 3d7j s ARG 39 N 0.42 1.27 0.04 0.44 1.70 -0.65 -1.39 118.95 120.78 3d7j s ARG 39 Ca -0.13 -1.13 -0.14 0.00 -0.47 0.00 0.00 55.73 53.86 3d7j s ARG 39 Cb -0.17 -1.53 0.02 0.00 -0.57 0.00 0.00 34.95 32.71 3d7j s ARG 39 CO 0.06 0.37 0.32 -0.98 -1.08 0.00 0.00 175.30 173.99 3d7j s ARG 40 N -1.70 0.81 0.13 3.89 1.70 -0.13 -0.71 118.95 122.95 3d7j s ARG 40 Ca 0.08 -0.45 0.08 0.00 -0.47 0.00 0.00 55.73 54.97 3d7j s ARG 40 Cb -0.10 0.35 -0.18 0.00 -0.57 0.00 0.00 34.95 34.45 3d7j s ARG 40 CO 0.04 -0.26 1.28 0.93 -1.08 0.00 0.00 175.30 176.21 3d7j h GLU 41 N 3.27 0.00 -4.65 3.89 5.08 -1.85 -0.09 114.58 120.23 3d7j h GLU 41 Ca -0.31 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.62 3d7j h GLU 41 Cb 1.20 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.14 3d7j h GLU 41 CO 0.45 0.93 -0.79 -0.65 -1.00 0.00 0.00 179.01 177.95 3d7j s GLN 42 N -2.73 0.93 0.55 2.33 -0.21 -1.26 -4.61 119.66 114.65 3d7j s GLN 42 Ca 0.01 -0.32 -0.21 0.00 0.02 0.00 0.00 55.36 54.87 3d7j s GLN 42 Cb 0.10 -0.87 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 3d7j s GLN 42 CO 0.81 0.14 1.26 -0.51 -2.12 0.00 0.00 175.29 174.87 3d7j s LEU 43 N 0.09 3.80 0.00 2.90 1.43 -1.26 -4.92 118.68 120.72 3d7j s LEU 43 Ca -0.01 2.52 -0.04 0.00 -1.03 0.00 0.00 54.13 55.56 3d7j s LEU 43 Cb -0.07 -4.40 0.06 0.00 0.03 0.00 0.00 46.19 41.80 3d7j s LEU 43 CO 0.00 -1.46 0.31 -0.90 0.23 0.00 0.00 176.35 174.53 3d7j n ASP 44 N -1.16 -0.25 0.13 2.29 5.68 0.11 -4.83 116.55 118.52 3d7j n ASP 44 Ca 0.11 -1.02 0.12 0.00 -0.50 0.00 0.00 54.79 53.51 3d7j n ASP 44 Cb 0.48 -0.24 0.48 0.00 -1.14 0.00 0.00 41.12 40.69 3d7j n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3d7j n GLU 45 N -1.81 0.21 -0.05 0.11 -0.58 -1.26 -1.26 120.64 116.00 3d7j n GLU 45 Ca 0.04 0.38 0.12 0.00 -0.42 0.00 0.00 57.16 57.28 3d7j n GLU 45 Cb 0.14 -1.86 0.42 0.00 -0.57 0.00 0.00 31.44 29.56 3d7j n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3d7j n ASP 46 N -2.25 1.71 -0.93 1.62 8.00 -1.26 -4.94 116.55 118.50 3d7j n ASP 46 Ca 0.03 -1.65 -0.07 0.00 0.71 0.00 0.00 54.79 53.81 3d7j n ASP 46 Cb 0.27 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3d7j n ASP 46 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3d7j n ASN 47 N 0.34 -2.77 -4.28 -2.24 5.15 -0.39 -5.05 115.26 106.02 3d7j n ASN 47 Ca 0.17 -0.05 -0.15 0.00 -0.60 0.00 0.00 54.58 53.96 3d7j n ASN 47 Cb 0.36 -1.92 -0.10 0.00 -0.53 0.00 0.00 39.78 37.58 3d7j n ASN 47 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3d7j s ILE 48 N -2.51 0.60 -0.10 -1.44 -4.36 -1.26 -4.83 121.20 107.31 3d7j s ILE 48 Ca 0.04 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 58.41 3d7j s ILE 48 Cb -0.02 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 3d7j s ILE 48 CO 0.05 -0.22 0.12 -0.37 0.24 0.00 0.00 174.94 174.77 3d7j h VAL 49 N 2.53 0.13 -2.92 8.37 -1.51 -1.95 0.35 116.25 121.25 3d7j h VAL 49 Ca -0.37 -1.05 -0.11 0.00 -1.23 0.00 0.00 66.70 63.93 3d7j h VAL 49 Cb 1.23 0.24 -0.20 0.00 -2.13 0.00 0.00 31.29 30.43 3d7j h VAL 49 CO 0.61 0.04 -0.22 0.54 -1.23 0.00 0.00 177.57 177.31 3d7j s VAL 50 N -1.80 0.05 0.59 7.19 0.11 -1.26 -4.74 120.40 120.54 3d7j s VAL 50 Ca -0.02 -0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 58.42 3d7j s VAL 50 Cb -0.00 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3d7j s VAL 50 CO 0.08 -0.23 1.22 -0.62 -3.33 0.00 0.00 175.10 172.21 3d7j s ASP 51 N -1.31 5.22 0.47 3.54 2.15 -1.26 -4.87 116.67 120.61 3d7j s ASP 51 Ca -0.13 2.41 0.32 0.00 0.43 0.00 0.00 52.55 55.58 3d7j s ASP 51 Cb -0.05 -2.60 1.72 0.00 -0.30 0.00 0.00 42.92 41.70 3d7j s ASP 51 CO 0.05 -1.57 1.97 0.16 -0.17 0.00 0.00 175.17 175.61 3d7j h ILE 52 N 0.95 0.00 0.00 4.11 3.07 -2.01 -3.25 117.51 120.38 3d7j h ILE 52 Ca -0.50 -0.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.90 3d7j h ILE 52 Cb 1.30 0.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.55 3d7j h ILE 52 CO 0.55 0.00 -0.04 1.23 -1.05 0.00 0.00 178.15 178.84 3d7j h GLY 53 N 0.01 0.00 1.30 0.16 0.00 -1.99 -0.24 103.07 102.32 3d7j h GLY 53 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3d7j h GLY 53 CO 0.00 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.74 3d7j h LEU 54 N -1.00 0.82 0.18 3.11 3.38 -1.94 -0.04 115.31 119.82 3d7j h LEU 54 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3d7j h LEU 54 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3d7j h LEU 54 CO -0.01 1.01 -0.17 0.00 0.09 0.00 0.00 178.44 179.36 3d7j h ALA 55 N 1.06 -0.35 -0.50 1.53 0.00 -1.63 0.35 119.26 119.71 3d7j h ALA 55 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3d7j h ALA 55 Cb 0.72 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3d7j h ALA 55 CO 0.06 -0.72 0.14 1.15 0.00 0.00 0.00 179.25 179.88 3d7j h THR 56 N -0.38 1.23 -0.22 0.00 2.02 -0.97 -0.41 112.91 114.18 3d7j h THR 56 Ca 0.00 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.41 3d7j h THR 56 Cb 0.36 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3d7j h THR 56 CO -0.04 0.29 0.04 -0.61 0.37 0.00 0.00 175.52 175.57 3d7j h GLN 57 N 0.69 0.12 -0.44 6.66 4.15 -0.86 -1.25 115.11 124.17 3d7j h GLN 57 Ca 0.16 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.45 3d7j h GLN 57 Cb 0.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3d7j h GLN 57 CO -0.00 0.08 -0.20 0.93 -1.93 0.00 0.00 178.83 177.71 3d7j h GLU 58 N 0.12 0.88 -0.65 1.69 4.39 -0.14 0.58 114.58 121.45 3d7j h GLU 58 Ca 0.10 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.46 3d7j h GLU 58 Cb 0.10 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3d7j h GLU 58 CO -0.14 1.00 0.42 1.25 -1.16 0.00 0.00 179.01 180.38 3d7j h LEU 59 N 0.77 0.72 -0.61 1.33 5.85 -1.01 -1.13 115.31 121.22 3d7j h LEU 59 Ca 0.11 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3d7j h LEU 59 Cb 0.74 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3d7j h LEU 59 CO 0.06 0.51 0.38 1.23 -0.34 0.00 0.00 178.44 180.28 3d7j h GLY 60 N 0.85 0.86 0.99 3.75 0.00 -0.56 -1.06 103.07 107.91 3d7j h GLY 60 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3d7j h GLY 60 CO -0.07 0.26 0.17 0.00 0.00 0.00 0.00 176.54 176.90 3d7j h ALA 61 N 1.25 0.34 0.29 3.60 0.00 -0.54 0.73 119.26 124.94 3d7j h ALA 61 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3d7j h ALA 61 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d7j h ALA 61 CO -0.09 -0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.13 3d7j h VAL 62 N 0.35 0.74 0.00 0.00 2.07 -0.78 -2.98 116.25 115.66 3d7j h VAL 62 Ca 0.10 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3d7j h VAL 62 Cb -0.02 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3d7j h VAL 62 CO -0.02 0.07 -0.30 -0.37 0.02 0.00 0.00 177.57 176.97 3d7j h VAL 63 N -0.58 0.70 -0.71 2.57 -1.51 -1.22 -2.92 116.25 112.58 3d7j h VAL 63 Ca -0.04 -1.37 0.12 0.00 -1.23 0.00 0.00 66.70 64.17 3d7j h VAL 63 Cb 0.42 1.89 -0.05 0.00 -2.13 0.00 0.00 31.29 31.43 3d7j h VAL 63 CO 0.07 0.30 0.47 1.23 -1.23 0.00 0.00 177.57 178.41 3d7j h GLY 64 N 2.23 0.77 2.00 5.19 0.00 -0.69 0.12 103.07 112.69 3d7j h GLY 64 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3d7j h GLY 64 CO 0.04 0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.69 3d7j n ALA 65 N -2.50 1.69 -0.05 3.60 0.00 -1.10 -3.41 120.51 118.74 3d7j n ALA 65 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 3d7j n ALA 65 Cb 0.42 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 3d7j n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d7j n LEU 66 N -2.01 0.00 -4.76 0.00 4.77 0.30 -5.04 117.00 110.27 3d7j n LEU 66 Ca 0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 3d7j n LEU 66 Cb 0.22 0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3d7j n LEU 66 CO 0.18 0.23 0.91 0.21 -1.33 0.00 0.00 177.39 177.59 3d7j s ASN 67 N -4.34 5.48 -1.40 -1.43 2.47 -0.41 -3.58 114.94 111.73 3d7j s ASN 67 Ca -0.06 2.55 -0.06 0.00 0.42 0.00 0.00 52.86 55.70 3d7j s ASN 67 Cb 0.06 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.27 3d7j s ASN 67 CO 0.57 -1.41 0.84 -1.22 -3.72 0.00 0.00 177.10 172.15 3d7j n TYR 68 N -1.04 -2.12 -4.09 0.43 4.01 -1.26 -4.99 117.16 108.11 3d7j n TYR 68 Ca 0.10 0.88 -0.14 0.00 -0.16 0.00 0.00 57.90 58.58 3d7j n TYR 68 Cb 0.47 -4.27 -0.11 0.00 -0.31 0.00 0.00 39.34 35.12 3d7j n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3d7j s ARG 69 N -6.24 0.60 -0.45 -0.72 0.52 -1.23 -5.03 118.95 106.39 3d7j s ARG 69 Ca 0.29 -0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 54.43 3d7j s ARG 69 Cb -0.14 -0.37 0.03 0.00 0.52 0.00 0.00 34.95 34.98 3d7j s ARG 69 CO 0.81 0.07 0.79 1.21 0.02 0.00 0.00 175.30 178.20 3d7j s ASN 70 N -1.73 6.41 0.40 0.23 3.84 -1.26 -0.56 114.94 122.26 3d7j s ASN 70 Ca -0.07 -0.13 0.28 0.00 0.21 0.00 0.00 52.86 53.15 3d7j s ASN 70 Cb -0.09 -2.38 1.08 0.00 -0.55 0.00 0.00 41.25 39.31 3d7j s ASN 70 CO 0.00 -0.92 1.83 -0.07 -2.79 0.00 0.00 177.10 175.15 3d7j h LEU 71 N 10.15 0.00 -2.71 3.21 3.38 -0.73 -1.67 115.31 126.95 3d7j h LEU 71 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d7j h LEU 71 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3d7j h LEU 71 CO 0.96 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 179.93 3d7j h ASP 72 N 0.00 0.00 -0.43 -0.43 5.19 -1.92 -2.48 116.42 116.36 3d7j h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3d7j h ASP 72 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3d7j h ASP 72 CO 0.00 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 3d7j n ASN 73 N -3.50 3.52 -4.58 6.45 3.02 -0.63 -4.91 115.26 114.63 3d7j n ASN 73 Ca -0.03 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.12 3d7j n ASN 73 Cb 0.08 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3d7j n ASN 73 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3d7j s GLU 74 N -1.42 3.75 0.52 3.52 0.41 -0.94 -4.95 118.70 119.60 3d7j s GLU 74 Ca 0.40 0.06 0.22 0.00 -0.41 0.00 0.00 54.97 55.24 3d7j s GLU 74 Cb 0.23 -3.77 1.34 0.00 -1.78 0.00 0.00 34.13 30.15 3d7j s GLU 74 CO 0.32 -0.62 2.05 -1.35 -0.49 0.00 0.00 175.26 175.17 3d7j h PRO 75 N 8.35 0.01 -0.39 0.39 0.11 -1.91 -0.11 132.00 138.45 3d7j h PRO 75 Ca -0.27 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.95 3d7j h PRO 75 Cb 1.12 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3d7j h PRO 75 CO 0.79 0.01 0.28 -0.44 -0.21 0.00 0.00 178.00 178.43 3d7j h ASP 76 N 0.01 0.00 -0.24 -2.05 3.32 -1.95 -2.77 116.42 112.75 3d7j h ASP 76 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3d7j h ASP 76 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3d7j h ASP 76 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3d7j n PHE 77 N -4.40 0.46 -1.68 4.55 0.99 -0.07 -5.01 117.46 112.30 3d7j n PHE 77 Ca 0.06 -0.62 -0.50 0.00 -0.00 0.00 0.00 57.45 56.39 3d7j n PHE 77 Cb 0.47 -0.11 -0.05 0.00 -1.00 0.00 0.00 39.48 38.80 3d7j n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3d7j n ALA 78 N -0.05 0.68 -0.92 4.37 0.00 -1.05 -0.97 120.51 122.59 3d7j n ALA 78 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3d7j n ALA 78 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3d7j n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d7j n GLY 79 N 4.17 0.79 3.34 0.00 0.00 -1.26 -5.03 105.19 107.20 3d7j n GLY 79 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3d7j n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d7j s VAL 80 N -3.10 2.55 -0.16 1.61 1.01 -0.14 -5.09 120.40 117.08 3d7j s VAL 80 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3d7j s VAL 80 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3d7j s VAL 80 CO 0.00 0.56 1.46 0.20 0.00 0.00 0.00 175.10 177.32 3d7j s ASN 81 N -0.10 6.71 -1.39 3.32 0.01 -1.26 -4.92 114.94 117.30 3d7j s ASN 81 Ca -0.04 1.77 -0.08 0.00 -0.71 0.00 0.00 52.86 53.81 3d7j s ASN 81 Cb -0.14 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.06 3d7j s ASN 81 CO 0.04 -0.96 2.38 0.35 -1.51 0.00 0.00 177.10 177.41 3d7j n THR 82 N 5.73 4.70 -1.13 1.60 -2.24 -1.26 -4.85 114.28 116.83 3d7j n THR 82 Ca 0.16 -3.85 -0.31 0.00 -2.27 0.00 0.00 64.05 57.78 3d7j n THR 82 Cb 0.45 -2.30 0.12 0.00 -2.10 0.00 0.00 70.33 66.49 3d7j n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d7j s SER 83 N 1.10 3.98 0.21 3.42 1.04 -1.26 -4.77 113.70 117.42 3d7j s SER 83 Ca 0.54 1.84 -0.09 0.00 0.48 0.00 0.00 55.95 58.72 3d7j s SER 83 Cb 0.16 -2.48 0.26 0.00 0.10 0.00 0.00 66.02 64.06 3d7j s SER 83 CO -0.06 -2.37 1.79 0.74 0.98 0.00 0.00 173.24 174.32 3d7j h THR 84 N -1.36 0.92 -0.56 2.02 2.02 -1.97 -0.13 112.91 113.84 3d7j h THR 84 Ca -0.45 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.41 3d7j h THR 84 Cb 1.25 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3d7j h THR 84 CO 0.50 0.11 -0.08 1.05 0.37 0.00 0.00 175.52 177.47 3d7j h GLU 85 N 0.63 1.04 -0.44 6.66 9.09 -1.92 -0.75 114.58 128.89 3d7j h GLU 85 Ca 0.31 -0.37 -0.02 0.00 0.05 0.00 0.00 59.36 59.33 3d7j h GLU 85 Cb 0.25 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.25 3d7j h GLU 85 CO -0.21 1.06 0.19 0.35 0.05 0.00 0.00 179.01 180.45 3d7j h PHE 86 N 0.93 0.65 -0.06 2.06 3.57 -1.72 -2.76 116.94 119.61 3d7j h PHE 86 Ca 0.15 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3d7j h PHE 86 Cb 0.65 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3d7j h PHE 86 CO 0.04 0.54 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.31 3d7j h LEU 87 N 0.56 0.11 -0.66 0.59 3.38 -0.81 -0.39 115.31 118.10 3d7j h LEU 87 Ca 0.15 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3d7j h LEU 87 Cb 0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3d7j h LEU 87 CO -0.02 0.41 0.39 0.00 0.09 0.00 0.00 178.44 179.31 3d7j h ALA 88 N 1.60 0.87 -0.41 1.53 0.00 -0.97 -1.32 119.26 120.56 3d7j h ALA 88 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3d7j h ALA 88 Cb 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3d7j h ALA 88 CO 0.04 0.11 0.07 -0.22 0.00 0.00 0.00 179.25 179.25 3d7j h LYS 89 N 0.74 0.67 -0.31 0.00 3.64 -0.96 -0.30 116.57 120.05 3d7j h LYS 89 Ca 0.28 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3d7j h LYS 89 Cb 0.10 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3d7j h LYS 89 CO -0.14 0.71 0.08 0.28 -2.27 0.00 0.00 179.45 178.10 3d7j h VAL 90 N 0.52 0.87 -0.39 2.00 2.07 -0.79 0.13 116.25 120.66 3d7j h VAL 90 Ca 0.12 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 3d7j h VAL 90 Cb 0.36 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3d7j h VAL 90 CO 0.01 0.04 -0.19 0.40 0.02 0.00 0.00 177.57 177.85 3d7j h ILE 91 N 0.20 1.28 -0.51 4.57 2.04 -1.16 -0.91 117.51 123.01 3d7j h ILE 91 Ca 0.15 -1.32 0.06 0.00 1.00 0.00 0.00 64.86 64.75 3d7j h ILE 91 Cb 0.15 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 3d7j h ILE 91 CO -0.18 0.44 0.21 0.00 0.00 0.00 0.00 178.15 178.62 3d7j h ALA 92 N 0.81 0.64 -0.63 1.87 0.00 -0.58 0.12 119.26 121.50 3d7j h ALA 92 Ca 0.09 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3d7j h ALA 92 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3d7j h ALA 92 CO 0.06 -0.17 0.09 -0.44 0.00 0.00 0.00 179.25 178.79 3d7j h ASP 93 N 0.41 1.01 -0.48 0.00 3.32 -0.50 -0.18 116.42 120.00 3d7j h ASP 93 Ca 0.24 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3d7j h ASP 93 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3d7j h ASP 93 CO -0.22 1.01 -0.18 0.03 -1.72 0.00 0.00 179.24 178.16 3d7j h ARG 94 N 0.96 0.98 -0.47 3.56 3.08 -0.92 -1.76 114.38 119.81 3d7j h ARG 94 Ca 0.19 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.85 3d7j h ARG 94 Cb 0.44 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3d7j h ARG 94 CO 0.01 1.08 0.29 -0.07 -1.07 0.00 0.00 179.97 180.21 3d7j h LEU 95 N 0.83 0.47 -0.54 3.04 3.38 -0.77 -2.23 115.31 119.49 3d7j h LEU 95 Ca 0.11 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3d7j h LEU 95 Cb 0.76 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3d7j h LEU 95 CO 0.06 0.34 0.19 0.00 0.09 0.00 0.00 178.44 179.12 3d7j h ALA 96 N 1.20 0.68 -0.77 1.53 0.00 -0.78 -0.38 119.26 120.74 3d7j h ALA 96 Ca 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3d7j h ALA 96 Cb -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3d7j h ALA 96 CO -0.07 -0.21 0.33 0.93 0.00 0.00 0.00 179.25 180.23 3d7j h GLU 97 N 0.37 1.13 -0.87 0.00 4.39 -1.11 -0.80 114.58 117.71 3d7j h GLU 97 Ca 0.27 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3d7j h GLU 97 Cb 0.30 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3d7j h GLU 97 CO -0.27 0.90 0.43 0.00 -1.16 0.00 0.00 179.01 178.91 3d7j h ARG 98 N 1.11 1.24 -0.26 2.33 2.47 -0.78 -1.31 114.38 119.19 3d7j h ARG 98 Ca 0.26 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3d7j h ARG 98 Cb 0.17 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3d7j h ARG 98 CO -0.03 0.94 0.15 0.28 0.56 0.00 0.00 179.97 181.87 3d7j h VAL 99 N 1.23 1.10 -0.66 2.04 2.07 -0.51 -0.76 116.25 120.76 3d7j h VAL 99 Ca 0.30 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3d7j h VAL 99 Cb 0.10 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3d7j h VAL 99 CO -0.04 0.10 0.41 0.45 0.02 0.00 0.00 177.57 178.52 3d7j h HIS 100 N 0.31 0.84 0.00 1.57 3.86 -0.84 -1.95 115.15 118.94 3d7j h HIS 100 Ca 0.09 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3d7j h HIS 100 Cb 0.03 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.22 3d7j h HIS 100 CO -0.04 0.55 0.00 0.36 0.86 0.00 0.00 177.93 179.65 3d7j n LYS 101 N -4.42 0.03 -0.03 2.45 2.85 -0.52 -4.91 118.16 113.60 3d7j n LYS 101 Ca 0.07 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 3d7j n LYS 101 Cb 0.05 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 3d7j n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d7j n GLY 102 N 1.45 0.98 0.28 2.58 0.00 -0.73 -4.99 105.19 104.77 3d7j n GLY 102 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 3d7j n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7j h ALA 103 N 0.00 1.01 -0.52 4.61 0.00 -1.34 -0.93 119.26 122.09 3d7j h ALA 103 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d7j h ALA 103 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d7j h ALA 103 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3d7j n LEU 104 N -3.12 4.54 0.00 0.00 4.32 -1.26 -4.93 117.00 116.55 3d7j n LEU 104 Ca -0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 56.01 53.39 3d7j n LEU 104 Cb 0.27 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 3d7j n LEU 104 CO 0.27 0.74 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 3d7j n GLY 105 N 0.63 1.58 0.36 -0.72 0.00 -0.35 -4.26 105.19 102.41 3d7j n GLY 105 Ca 0.24 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.51 3d7j n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d7j h GLU 106 N 0.00 0.90 0.00 1.61 5.08 -1.95 -2.25 114.58 117.97 3d7j h GLU 106 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3d7j h GLU 106 Cb 0.00 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3d7j h GLU 106 CO 0.00 0.60 -0.07 0.78 -1.00 0.00 0.00 179.01 179.31 3d7j h GLY 107 N 0.93 0.00 2.00 -3.84 0.00 -1.96 -2.60 103.07 97.60 3d7j h GLY 107 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3d7j h GLY 107 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.43 3d7j h ALA 108 N 1.93 1.00 0.00 3.60 0.00 -1.58 -1.77 119.26 122.44 3d7j h ALA 108 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d7j h ALA 108 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3d7j h ALA 108 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 3d7j n ARG 109 N -2.34 0.20 0.00 0.00 1.74 -0.98 -1.86 116.66 113.41 3d7j n ARG 109 Ca 0.02 0.40 0.15 0.00 -0.77 0.00 0.00 57.85 57.65 3d7j n ARG 109 Cb 0.25 -1.86 0.79 0.00 -1.02 0.00 0.00 32.46 30.63 3d7j n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d7j n GLY 110 N 0.11 -1.09 3.75 -0.13 0.00 -0.66 -4.88 105.19 102.28 3d7j n GLY 110 Ca 0.02 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3d7j n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7j s LEU 111 N -2.34 3.82 -0.05 0.99 1.43 -0.78 -4.71 118.68 117.04 3d7j s LEU 111 Ca 0.35 2.71 -0.05 0.00 -1.03 0.00 0.00 54.13 56.12 3d7j s LEU 111 Cb 0.21 -4.32 -0.28 0.00 0.03 0.00 0.00 46.19 41.83 3d7j s LEU 111 CO 0.43 -1.59 0.65 0.00 0.23 0.00 0.00 176.35 176.07 3d7j h ALA 112 N 1.36 0.33 -1.86 4.21 0.00 -1.26 -3.44 119.26 118.60 3d7j h ALA 112 Ca -0.51 -1.23 0.18 0.00 0.00 0.00 0.00 54.91 53.35 3d7j h ALA 112 Cb 1.30 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 3d7j h ALA 112 CO 0.57 1.20 0.50 0.41 0.00 0.00 0.00 179.25 181.93 3d7j n GLY 113 N 1.80 0.50 3.25 0.00 0.00 -1.19 -1.35 105.19 108.21 3d7j n GLY 113 Ca -0.23 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3d7j n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3d7j s LEU 114 N 0.00 1.00 -0.01 0.99 0.05 -0.27 -1.64 118.68 118.79 3d7j s LEU 114 Ca 0.17 -0.49 0.02 0.00 0.05 0.00 0.00 54.13 53.87 3d7j s LEU 114 Cb -0.01 1.37 0.00 0.00 -2.05 0.00 0.00 46.19 45.50 3d7j s LEU 114 CO 0.01 -0.77 -0.06 -0.89 -0.55 0.00 0.00 176.35 174.09 3d7j s THR 115 N -3.76 0.49 -0.13 5.48 2.01 -0.14 -1.14 115.64 118.46 3d7j s THR 115 Ca 0.04 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.82 3d7j s THR 115 Cb 0.03 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.11 3d7j s THR 115 CO -0.11 0.15 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.07 3d7j s VAL 116 N 0.04 2.18 -0.14 3.82 1.01 -0.25 0.10 120.40 127.16 3d7j s VAL 116 Ca -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3d7j s VAL 116 Cb -0.05 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3d7j s VAL 116 CO -0.00 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.57 3d7j s THR 117 N 0.64 2.47 -0.15 3.92 2.01 -0.08 -0.68 115.64 123.77 3d7j s THR 117 Ca -0.11 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 3d7j s THR 117 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 3d7j s THR 117 CO 0.02 0.53 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.66 3d7j s LEU 118 N 0.66 3.09 -0.33 4.42 1.02 0.46 -0.71 118.68 127.30 3d7j s LEU 118 Ca -0.09 -0.18 -0.08 0.00 0.02 0.00 0.00 54.13 53.79 3d7j s LEU 118 Cb -0.16 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.34 3d7j s LEU 118 CO 0.02 0.17 0.13 -1.00 0.02 0.00 0.00 176.35 175.70 3d7j s HIS 119 N 0.32 3.20 0.02 0.29 3.76 -0.01 -0.38 115.29 122.49 3d7j s HIS 119 Ca -0.06 -0.99 0.10 0.00 -0.15 0.00 0.00 55.06 53.96 3d7j s HIS 119 Cb -0.15 -2.32 -0.15 0.00 1.11 0.00 0.00 32.58 31.07 3d7j s HIS 119 CO 0.04 -0.60 1.19 1.49 -0.85 0.00 0.00 174.74 176.01 3d7j h GLU 120 N 8.30 0.00 0.00 1.40 4.81 -1.45 -1.36 114.58 126.28 3d7j h GLU 120 Ca -0.28 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3d7j h GLU 120 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3d7j h GLU 120 CO 0.62 0.77 0.09 -1.13 -0.73 0.00 0.00 179.01 178.63 3d7j n SER 121 N -3.25 -0.87 0.00 1.04 3.41 -1.10 -4.49 113.62 108.36 3d7j n SER 121 Ca -0.03 -1.64 0.12 0.00 -0.26 0.00 0.00 58.87 57.06 3d7j n SER 121 Cb 0.91 1.46 0.54 0.00 -0.26 0.00 0.00 64.21 66.86 3d7j n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d7j n HIS 122 N -0.21 0.00 -0.34 7.33 1.44 -1.26 -3.80 115.22 118.38 3d7j n HIS 122 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3d7j n HIS 122 Cb 0.23 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 29.91 3d7j n HIS 122 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3d7j n VAL 123 N -1.43 0.25 -3.72 0.61 0.24 -1.26 -5.04 118.33 107.98 3d7j n VAL 123 Ca 0.08 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 3d7j n VAL 123 Cb 0.25 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.60 3d7j n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d7j s ALA 124 N -0.25 -0.91 0.09 2.33 0.00 -1.25 -5.12 121.76 116.65 3d7j s ALA 124 Ca 0.00 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3d7j s ALA 124 Cb 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3d7j s ALA 124 CO 0.00 -0.22 0.27 1.67 0.00 0.00 0.00 175.76 177.49 3d7j s TRP 125 N 0.90 -0.00 0.08 0.00 -2.14 -1.26 -1.48 118.94 115.03 3d7j s TRP 125 Ca -0.06 -0.34 0.01 0.00 2.66 0.00 0.00 56.10 58.38 3d7j s TRP 125 Cb -0.06 0.06 -0.04 0.00 -3.10 0.00 0.00 33.47 30.33 3d7j s TRP 125 CO -0.07 -0.58 -0.06 0.00 -2.66 0.00 0.00 176.95 173.58 3d7j s ALA 126 N -3.57 0.84 0.05 2.67 0.00 0.49 -4.98 121.76 117.25 3d7j s ALA 126 Ca 0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 3d7j s ALA 126 Cb 0.03 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3d7j s ALA 126 CO -0.10 -0.24 0.08 -1.54 0.00 0.00 0.00 175.76 173.96 3d7j s SER 127 N -2.87 0.24 -0.05 0.00 1.04 -1.26 -0.40 113.70 110.40 3d7j s SER 127 Ca 0.09 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3d7j s SER 127 Cb 0.04 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.43 3d7j s SER 127 CO -0.05 -0.56 -0.02 -0.47 0.98 0.00 0.00 173.24 173.12 3d7j s TYR 128 N -3.11 0.59 -0.06 5.02 5.04 0.14 -4.94 117.35 120.04 3d7j s TYR 128 Ca -0.01 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 3d7j s TYR 128 Cb 0.02 -0.64 -0.03 0.00 0.35 0.00 0.00 41.96 41.66 3d7j s TYR 128 CO -0.07 -0.22 -0.12 -2.00 -1.34 0.00 0.00 175.55 171.81 3d7j s GLU 129 N 1.31 2.61 0.01 4.97 2.12 -1.26 -1.09 118.70 127.36 3d7j s GLU 129 Ca -0.05 -0.64 -0.14 0.00 0.36 0.00 0.00 54.97 54.50 3d7j s GLU 129 Cb -0.13 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.82 3d7j s GLU 129 CO -0.02 0.63 0.29 -0.98 -0.54 0.00 0.00 175.26 174.63 3d7j s ARG 130 N -0.73 0.70 0.73 4.30 1.70 -0.29 -5.00 118.95 120.35 3d7j s ARG 130 Ca 0.11 -0.33 -0.11 0.00 -0.47 0.00 0.00 55.73 54.93 3d7j s ARG 130 Cb -0.11 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.60 3d7j s ARG 130 CO 0.01 -0.20 1.07 0.00 -1.08 0.00 0.00 175.30 175.10 3d7j s ALA 131 N -1.79 2.51 -2.66 7.88 0.00 -1.26 -1.11 121.76 125.33 3d7j s ALA 131 Ca -0.10 0.15 0.21 0.00 0.00 0.00 0.00 51.96 52.22 3d7j s ALA 131 Cb -0.04 -3.21 0.17 0.00 0.00 0.00 0.00 23.12 20.04 3d7j s ALA 131 CO 0.01 -1.44 1.17 1.28 0.00 0.00 0.00 175.76 176.79