#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7j h SER -1 N 0.00 0.00 -0.44 1.61 0.02 -2.07 -3.56 113.55 109.11 3d7j h SER -1 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3d7j h SER -1 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3d7j h SER -1 CO 0.00 0.86 0.00 0.00 -1.14 0.00 0.00 176.83 176.55 3d7j n HIS 0 N -4.62 -0.44 -4.04 3.45 -0.00 -1.26 -5.27 115.22 103.05 3d7j n HIS 0 Ca -0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.50 3d7j n HIS 0 Cb 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.18 3d7j n HIS 0 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3d7j s PHE 2 N -5.56 0.52 0.01 -1.40 0.40 0.15 -4.75 117.98 107.35 3d7j s PHE 2 Ca 0.00 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 55.71 3d7j s PHE 2 Cb 0.00 -0.33 -0.00 0.00 0.51 0.00 0.00 43.02 43.20 3d7j s PHE 2 CO 0.00 -0.14 0.14 -1.12 0.70 0.00 0.00 175.22 174.80 3d7j s SER 3 N -1.65 0.05 0.04 1.36 0.01 -1.26 -1.05 113.70 111.20 3d7j s SER 3 Ca -0.11 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 56.91 3d7j s SER 3 Cb -0.09 0.22 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 3d7j s SER 3 CO -0.01 -0.41 -0.10 0.27 0.41 0.00 0.00 173.24 173.40 3d7j s ILE 4 N -1.70 0.79 -0.02 1.44 -5.25 -0.43 -4.98 121.20 111.04 3d7j s ILE 4 Ca -0.12 -0.99 0.03 0.00 -0.99 0.00 0.00 60.65 58.58 3d7j s ILE 4 Cb -0.06 -0.77 -0.00 0.00 2.95 0.00 0.00 42.46 44.58 3d7j s ILE 4 CO 0.00 -0.18 -0.12 -0.89 -1.79 0.00 0.00 174.94 171.96 3d7j s THR 5 N -1.05 0.97 0.04 8.37 2.01 -1.26 -0.44 115.64 124.28 3d7j s THR 5 Ca -0.04 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.55 3d7j s THR 5 Cb -0.08 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 3d7j s THR 5 CO 0.01 0.29 -0.20 0.68 -0.69 0.00 0.00 174.62 174.71 3d7j s VAL 6 N 0.00 1.59 -0.12 3.82 -7.23 -0.60 -4.95 120.40 112.91 3d7j s VAL 6 Ca -0.01 -1.14 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3d7j s VAL 6 Cb -0.08 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3d7j s VAL 6 CO 0.00 0.21 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.28 3d7j s ARG 7 N -1.09 3.28 0.05 4.82 3.52 -1.26 -0.85 118.95 127.41 3d7j s ARG 7 Ca 0.07 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 3d7j s ARG 7 Cb -0.09 -2.63 -0.00 0.00 -1.56 0.00 0.00 34.95 30.67 3d7j s ARG 7 CO 0.01 0.29 0.01 -3.47 -0.81 0.00 0.00 175.30 171.34 3d7j n ASP 8 N 3.30 1.11 -3.49 -2.12 -0.08 0.08 -4.98 116.55 110.37 3d7j n ASP 8 Ca -0.18 -1.24 -0.12 0.00 -1.51 0.00 0.00 54.79 51.74 3d7j n ASP 8 Cb 0.53 0.10 -0.03 0.00 2.34 0.00 0.00 41.12 44.06 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 -1.64 -0.46 0.00 -0.67 -3.43 -1.26 -0.13 115.29 107.70 3d7j s HIS 9 Ca 0.02 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 3d7j s HIS 9 Cb 0.00 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.61 3d7j s HIS 9 CO 0.01 -0.78 0.00 0.44 -2.00 0.00 0.00 174.74 172.41 3d7j n ILE 10 N -0.20 0.00 0.00 -5.38 -5.35 -0.46 -4.94 119.36 103.03 3d7j n ILE 10 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3d7j n ILE 10 Cb 0.64 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 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 -4.31 7.28 -6.64 -0.55 -1.01 119.36 114.14 3d7j n ILE 12 Ca 0.00 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.68 3d7j n ILE 12 Cb 0.00 0.00 -0.11 0.00 -1.44 0.00 0.00 39.64 38.09 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 2.86 0.07 -1.28 0.00 -0.27 -1.05 121.76 120.09 3d7j s ALA 13 Ca 0.00 -1.25 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 3d7j s ALA 13 Cb 0.00 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.37 3d7j s ALA 13 CO 0.00 0.62 1.04 -3.38 0.00 0.00 0.00 175.76 174.04 3d7j s HIS 14 N -1.15 -0.14 0.07 0.00 -3.43 -0.19 -0.46 115.29 109.99 3d7j s HIS 14 Ca 0.20 -0.08 0.02 0.00 -0.80 0.00 0.00 55.06 54.39 3d7j s HIS 14 Cb -0.11 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 3d7j s HIS 14 CO 0.12 -0.62 -0.07 -1.54 -2.00 0.00 0.00 174.74 170.63 3d7j s SER 15 N -2.85 0.98 0.10 7.38 1.04 -1.26 -1.03 113.70 118.06 3d7j s SER 15 Ca 0.12 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 55.77 3d7j s SER 15 Cb 0.00 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3d7j s SER 15 CO -0.01 -0.38 -0.07 -0.36 0.98 0.00 0.00 173.24 173.39 3d7j s PHE 16 N -2.84 2.81 -0.24 5.02 2.99 -0.41 -4.72 117.98 120.60 3d7j s PHE 16 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 56.93 56.80 3d7j s PHE 16 Cb -0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 43.02 41.55 3d7j s PHE 16 CO -0.03 0.44 0.00 0.50 -0.00 0.00 0.00 175.22 176.13 3d7j s ARG 17 N -2.23 3.40 0.00 0.44 3.52 -1.26 -4.05 118.95 118.76 3d7j s ARG 17 Ca 0.23 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3d7j s ARG 17 Cb -0.11 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3d7j s ARG 17 CO 0.15 -0.23 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 3d7j n GLY 18 N 4.84 4.44 0.28 8.12 0.00 -1.26 -4.95 105.19 116.65 3d7j n GLY 18 Ca -0.17 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.59 1.61 3.58 -1.95 -2.26 116.42 116.81 3d7j h ASP 19 Ca 0.00 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.62 3d7j h ASP 19 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3d7j h ASP 19 CO 0.00 0.03 0.49 1.62 -2.88 0.00 0.00 179.24 178.50 3d7j h VAL 20 N 0.00 0.52 -0.00 2.25 3.04 -2.00 -2.16 116.25 117.90 3d7j h VAL 20 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3d7j h VAL 20 Cb 0.06 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3d7j h VAL 20 CO 0.00 0.00 -0.19 0.49 -1.01 0.00 0.00 177.57 176.86 3d7j n PHE 21 N -4.05 0.00 0.00 3.17 3.72 -0.85 -5.00 117.46 114.45 3d7j n PHE 21 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3d7j n PHE 21 Cb 0.72 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 1.41 3.55 0.23 1.37 0.00 -0.81 -1.32 105.19 109.63 3d7j n GLY 22 Ca 0.09 0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.94 -2.30 132.00 129.50 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 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 3d7j n ALA 24 N -1.95 2.61 0.28 -0.56 0.00 -0.43 -1.83 120.51 118.62 3d7j n ALA 24 Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 53.44 53.42 3d7j n ALA 24 Cb 0.21 -1.49 0.75 0.00 0.00 0.00 0.00 19.45 18.92 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 -7.16 0.00 4.20 -1.54 -1.07 115.11 109.55 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 0.03 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.83 3d7j h GLN 25 CO 0.00 0.05 0.37 1.03 -0.67 0.00 0.00 178.83 179.61 3d7j s ARG 26 N -3.83 3.91 0.01 1.46 0.52 -0.76 -4.22 118.95 116.03 3d7j s ARG 26 Ca -0.01 1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 3d7j s ARG 26 Cb 0.10 -2.13 -0.08 0.00 0.52 0.00 0.00 34.95 33.37 3d7j s ARG 26 CO 0.54 -0.31 1.83 -1.17 0.02 0.00 0.00 175.30 176.21 3d7j s LEU 27 N -3.89 4.39 0.00 2.53 1.98 -1.26 -4.46 118.68 117.97 3d7j s LEU 27 Ca 0.61 2.52 0.00 0.00 -2.89 0.00 0.00 54.13 54.36 3d7j s LEU 27 Cb -0.11 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.20 3d7j s LEU 27 CO 0.27 -1.00 0.00 0.00 -1.89 0.00 0.00 176.35 173.74 3d7j n HIS 28 N 7.16 0.00 -3.77 5.38 1.44 -0.20 -4.98 115.22 120.25 3d7j n HIS 28 Ca 0.19 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.80 3d7j n HIS 28 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 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 1.64 3.53 -1.39 0.00 -1.26 -1.02 105.19 106.68 3d7j n GLY 29 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.16 -1.79 -0.23 4.61 0.00 -0.21 -4.93 121.76 117.05 3d7j s ALA 30 Ca 0.17 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 3d7j s ALA 30 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 3d7j s ALA 30 CO 0.13 -0.37 0.23 0.99 0.00 0.00 0.00 175.76 176.74 3d7j s THR 31 N -1.25 5.31 -0.25 0.00 2.01 -1.26 -1.48 115.64 118.72 3d7j s THR 31 Ca -0.09 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 3d7j s THR 31 Cb -0.00 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 3d7j s THR 31 CO 0.08 0.31 0.03 -0.36 -0.69 0.00 0.00 174.62 173.99 3d7j s PHE 32 N 1.19 3.06 0.08 4.92 0.08 -0.18 -4.26 117.98 122.87 3d7j s PHE 32 Ca 0.11 -0.78 -0.30 0.00 0.12 0.00 0.00 56.93 56.08 3d7j s PHE 32 Cb -0.14 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.06 3d7j s PHE 32 CO 0.06 -0.49 1.14 -0.51 -0.10 0.00 0.00 175.22 175.32 3d7j s LEU 33 N 1.53 4.40 -0.27 -0.37 1.43 -0.32 -1.36 118.68 123.72 3d7j s LEU 33 Ca 0.05 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 3d7j s LEU 33 Cb -0.15 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3d7j s LEU 33 CO 0.01 -0.37 -0.05 -0.69 0.23 0.00 0.00 176.35 175.48 3d7j s VAL 34 N 0.70 2.78 -0.21 -1.59 1.01 0.81 -0.90 120.40 123.00 3d7j s VAL 34 Ca 0.55 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3d7j s VAL 34 Cb -0.28 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3d7j s VAL 34 CO 0.31 0.07 0.00 -1.81 0.00 0.00 0.00 175.10 173.67 3d7j s ASP 35 N 1.26 4.76 -0.23 3.32 1.01 0.45 -0.74 116.67 126.51 3d7j s ASP 35 Ca -0.03 -0.24 -0.05 0.00 0.71 0.00 0.00 52.55 52.93 3d7j s ASP 35 Cb -0.18 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 3d7j s ASP 35 CO -0.04 0.03 0.00 0.00 0.21 0.00 0.00 175.17 175.37 3d7j s ALA 36 N 1.21 2.96 -0.19 5.23 0.00 -0.03 -1.05 121.76 129.89 3d7j s ALA 36 Ca 0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 3d7j s ALA 36 Cb -0.15 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 3d7j s ALA 36 CO 0.01 -0.42 0.01 0.99 0.00 0.00 0.00 175.76 176.34 3d7j s THR 37 N 1.48 4.10 -0.13 0.00 2.01 0.96 -1.56 115.64 122.48 3d7j s THR 37 Ca 0.06 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 3d7j s THR 37 Cb -0.15 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 3d7j s THR 37 CO -0.00 0.44 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.90 3d7j s PHE 38 N 0.77 2.85 0.06 4.92 0.08 0.42 -0.97 117.98 126.10 3d7j s PHE 38 Ca 0.01 -0.59 0.08 0.00 0.12 0.00 0.00 56.93 56.55 3d7j s PHE 38 Cb -0.14 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3d7j s PHE 38 CO 0.02 -0.19 -0.23 -0.98 -0.10 0.00 0.00 175.22 173.74 3d7j s ARG 39 N 0.36 1.47 0.10 0.44 1.70 -0.53 -1.32 118.95 121.18 3d7j s ARG 39 Ca -0.10 -1.07 -0.20 0.00 -0.47 0.00 0.00 55.73 53.89 3d7j s ARG 39 Cb -0.16 -1.68 0.05 0.00 -0.57 0.00 0.00 34.95 32.59 3d7j s ARG 39 CO 0.05 0.42 0.48 -0.98 -1.08 0.00 0.00 175.30 174.19 3d7j s ARG 40 N -1.41 1.09 0.19 3.89 1.70 -0.22 -0.16 118.95 124.03 3d7j s ARG 40 Ca 0.09 -0.48 0.09 0.00 -0.47 0.00 0.00 55.73 54.96 3d7j s ARG 40 Cb -0.09 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 3d7j s ARG 40 CO 0.03 -0.43 1.41 0.93 -1.08 0.00 0.00 175.30 176.16 3d7j h GLU 41 N 2.47 0.00 -4.50 3.89 5.08 -1.85 0.45 114.58 120.12 3d7j h GLU 41 Ca -0.33 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.69 3d7j h GLU 41 Cb 1.25 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.23 3d7j h GLU 41 CO 0.43 0.82 -0.76 -1.14 -1.00 0.00 0.00 179.01 177.36 3d7j s GLN 42 N -3.03 0.54 0.60 2.33 0.74 -1.26 -4.64 119.66 114.95 3d7j s GLN 42 Ca 0.01 -0.32 -0.18 0.00 0.05 0.00 0.00 55.36 54.92 3d7j s GLN 42 Cb 0.11 -0.50 -0.03 0.00 1.10 0.00 0.00 33.01 33.69 3d7j s GLN 42 CO 0.79 0.13 1.14 -0.51 -0.55 0.00 0.00 175.29 176.30 3d7j s LEU 43 N -0.37 3.58 0.00 3.68 1.43 -1.26 -4.94 118.68 120.80 3d7j s LEU 43 Ca 0.01 2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 55.20 3d7j s LEU 43 Cb -0.04 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.71 3d7j s LEU 43 CO -0.00 -1.50 0.57 -0.90 0.23 0.00 0.00 176.35 174.75 3d7j n ASP 44 N -1.82 -0.19 0.23 2.29 5.68 -0.02 -4.84 116.55 117.88 3d7j n ASP 44 Ca 0.12 -1.15 0.16 0.00 -0.50 0.00 0.00 54.79 53.42 3d7j n ASP 44 Cb 0.51 -0.45 0.72 0.00 -1.14 0.00 0.00 41.12 40.76 3d7j n ASP 44 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3d7j h GLU 45 N 0.00 0.00 -0.02 0.11 4.39 -1.96 -0.37 114.58 116.73 3d7j h GLU 45 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3d7j h GLU 45 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3d7j h GLU 45 CO 0.13 0.00 -0.06 -0.25 -1.16 0.00 0.00 179.01 177.67 3d7j n ASP 46 N -2.72 1.81 -0.65 1.42 8.00 -1.26 -4.95 116.55 118.21 3d7j n ASP 46 Ca 0.00 -1.53 -0.04 0.00 0.71 0.00 0.00 54.79 53.93 3d7j n ASP 46 Cb 0.20 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.32 -2.21 -4.33 -2.24 5.15 -0.15 -5.06 115.26 106.75 3d7j n ASN 47 Ca 0.16 -0.03 -0.17 0.00 -0.60 0.00 0.00 54.58 53.94 3d7j n ASN 47 Cb 0.42 -1.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.23 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 -2.47 0.89 -0.06 -1.44 -4.36 -1.26 -4.83 121.20 107.67 3d7j s ILE 48 Ca 0.03 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.17 3d7j s ILE 48 Cb -0.02 -2.42 -0.28 0.00 1.25 0.00 0.00 42.46 41.00 3d7j s ILE 48 CO 0.04 -0.24 0.92 0.58 0.24 0.00 0.00 174.94 176.48 3d7j h VAL 49 N 2.45 1.58 -2.21 8.37 2.07 -1.95 -0.02 116.25 126.54 3d7j h VAL 49 Ca -0.38 -2.32 -0.07 0.00 0.82 0.00 0.00 66.70 64.75 3d7j h VAL 49 Cb 1.23 3.09 -0.19 0.00 -1.52 0.00 0.00 31.29 33.90 3d7j h VAL 49 CO 0.64 0.64 0.10 0.54 0.02 0.00 0.00 177.57 179.51 3d7j s VAL 50 N -2.61 0.01 -0.32 2.57 0.11 -1.26 -4.80 120.40 114.09 3d7j s VAL 50 Ca -0.15 -0.09 -0.32 0.00 -2.93 0.00 0.00 61.98 58.49 3d7j s VAL 50 Cb 0.00 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.83 3d7j s VAL 50 CO 0.78 -0.05 2.23 -0.67 -3.33 0.00 0.00 175.10 174.06 3d7j n ASP 51 N 0.96 2.52 0.11 3.54 -0.08 -1.26 -4.85 116.55 117.49 3d7j n ASP 51 Ca -0.19 0.26 0.01 0.00 -1.51 0.00 0.00 54.79 53.36 3d7j n ASP 51 Cb 0.57 -1.39 0.33 0.00 2.34 0.00 0.00 41.12 42.97 3d7j n ASP 51 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3d7j h ILE 52 N 7.18 1.23 -0.48 5.18 6.09 -1.98 -0.29 117.51 134.43 3d7j h ILE 52 Ca -0.31 -1.05 -0.05 0.00 -1.37 0.00 0.00 64.86 62.07 3d7j h ILE 52 Cb 1.29 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 39.94 3d7j h ILE 52 CO 1.01 0.32 0.09 1.23 -3.07 0.00 0.00 178.15 177.73 3d7j h GLY 53 N 0.92 0.85 1.56 8.18 0.00 -1.99 -0.78 103.07 111.80 3d7j h GLY 53 Ca 0.04 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3d7j h GLY 53 CO 0.04 0.52 -0.40 1.41 0.00 0.00 0.00 176.54 178.10 3d7j h LEU 54 N 0.66 0.52 -0.25 3.11 3.38 -1.85 -1.52 115.31 119.36 3d7j h LEU 54 Ca 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3d7j h LEU 54 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3d7j h LEU 54 CO 0.01 0.87 0.09 0.00 0.09 0.00 0.00 178.44 179.50 3d7j h ALA 55 N 1.16 0.33 -0.42 1.53 0.00 -0.83 -0.42 119.26 120.60 3d7j h ALA 55 Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3d7j h ALA 55 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3d7j h ALA 55 CO 0.07 -0.07 -0.26 1.79 0.00 0.00 0.00 179.25 180.79 3d7j h THR 56 N 0.25 1.27 -0.14 0.00 1.35 -1.17 -0.38 112.91 114.09 3d7j h THR 56 Ca 0.08 -1.42 0.03 0.00 -0.55 0.00 0.00 66.41 64.56 3d7j h THR 56 Cb 0.20 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.85 3d7j h THR 56 CO -0.01 0.48 -0.06 -0.61 -0.25 0.00 0.00 175.52 175.07 3d7j h GLN 57 N 0.75 -0.04 -0.18 4.72 4.15 -1.22 0.51 115.11 123.80 3d7j h GLN 57 Ca 0.09 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.32 3d7j h GLN 57 Cb 0.83 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.53 3d7j h GLN 57 CO 0.07 -0.03 -0.65 0.93 -1.93 0.00 0.00 178.83 177.22 3d7j h GLU 58 N -0.04 0.66 -0.56 1.69 4.39 -1.00 0.40 114.58 120.11 3d7j h GLU 58 Ca 0.07 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 3d7j h GLU 58 Cb 0.15 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3d7j h GLU 58 CO -0.17 1.10 0.34 1.25 -1.16 0.00 0.00 179.01 180.38 3d7j h LEU 59 N 0.48 0.67 -1.09 1.33 5.85 -1.04 -1.29 115.31 120.22 3d7j h LEU 59 Ca -0.02 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3d7j h LEU 59 Cb 1.24 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3d7j h LEU 59 CO 0.13 0.53 0.62 1.23 -0.34 0.00 0.00 178.44 180.60 3d7j h GLY 60 N 0.76 1.33 0.87 3.75 0.00 -0.56 -0.86 103.07 108.36 3d7j h GLY 60 Ca 0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3d7j h GLY 60 CO -0.04 0.44 -0.03 0.00 0.00 0.00 0.00 176.54 176.92 3d7j h ALA 61 N 1.44 0.38 0.25 3.60 0.00 -0.61 -0.71 119.26 123.60 3d7j h ALA 61 Ca 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3d7j h ALA 61 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3d7j h ALA 61 CO -0.09 0.16 -0.16 0.28 0.00 0.00 0.00 179.25 179.44 3d7j h VAL 62 N 0.29 0.65 0.00 0.00 2.07 -0.86 -3.03 116.25 115.38 3d7j h VAL 62 Ca 0.08 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3d7j h VAL 62 Cb 0.48 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3d7j h VAL 62 CO 0.02 0.00 -0.44 -0.37 0.02 0.00 0.00 177.57 176.80 3d7j h VAL 63 N -0.40 1.07 -0.70 2.57 -1.51 -1.21 -3.08 116.25 113.00 3d7j h VAL 63 Ca -0.02 -1.65 0.03 0.00 -1.23 0.00 0.00 66.70 63.83 3d7j h VAL 63 Cb 0.34 1.96 -0.04 0.00 -2.13 0.00 0.00 31.29 31.42 3d7j h VAL 63 CO 0.02 0.43 0.46 1.23 -1.23 0.00 0.00 177.57 178.48 3d7j h GLY 64 N 1.90 0.96 2.00 5.19 0.00 -1.01 0.68 103.07 112.79 3d7j h GLY 64 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3d7j h GLY 64 CO 0.06 0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.89 3d7j h ALA 65 N 1.59 1.00 0.00 3.60 0.00 -1.46 -3.02 119.26 120.97 3d7j h ALA 65 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3d7j h ALA 65 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3d7j h ALA 65 CO -0.08 0.00 -1.84 1.28 0.00 0.00 0.00 179.25 178.61 3d7j n LEU 66 N -2.36 0.00 -4.78 0.00 4.77 0.09 -5.04 117.00 109.68 3d7j n LEU 66 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3d7j n LEU 66 Cb 0.19 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3d7j n LEU 66 CO 0.18 0.05 0.77 0.21 -1.33 0.00 0.00 177.39 177.27 3d7j s ASN 67 N -4.15 6.33 -1.42 -1.43 3.84 -0.39 -3.82 114.94 113.90 3d7j s ASN 67 Ca -0.07 2.12 -0.06 0.00 0.21 0.00 0.00 52.86 55.06 3d7j s ASN 67 Cb 0.10 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 38.26 3d7j s ASN 67 CO 0.72 -0.80 0.79 -1.22 -2.79 0.00 0.00 177.10 173.80 3d7j n TYR 68 N -0.59 -2.05 -4.11 0.43 4.01 -1.26 -4.99 117.16 108.61 3d7j n TYR 68 Ca 0.08 0.86 -0.11 0.00 -0.16 0.00 0.00 57.90 58.56 3d7j n TYR 68 Cb 0.50 -4.14 -0.11 0.00 -0.31 0.00 0.00 39.34 35.28 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 -6.31 0.66 -0.50 -0.72 0.52 -1.25 -5.03 118.95 106.31 3d7j s ARG 69 Ca 0.29 -1.03 -0.24 0.00 -0.52 0.00 0.00 55.73 54.22 3d7j s ARG 69 Cb -0.14 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.16 3d7j s ARG 69 CO 0.83 0.01 0.90 1.21 0.02 0.00 0.00 175.30 178.26 3d7j s ASN 70 N -2.30 6.40 0.42 0.23 3.84 -1.26 -1.11 114.94 121.15 3d7j s ASN 70 Ca 0.00 -0.19 0.30 0.00 0.21 0.00 0.00 52.86 53.18 3d7j s ASN 70 Cb -0.02 -2.43 1.30 0.00 -0.55 0.00 0.00 41.25 39.55 3d7j s ASN 70 CO -0.03 -1.10 1.88 -0.07 -2.79 0.00 0.00 177.10 174.99 3d7j h LEU 71 N 10.65 0.00 -2.27 3.21 3.38 -1.13 -1.95 115.31 127.20 3d7j h LEU 71 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3d7j h LEU 71 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3d7j h LEU 71 CO 1.04 0.00 0.04 0.44 0.09 0.00 0.00 178.44 180.05 3d7j h ASP 72 N 0.00 0.00 1.50 -0.43 5.19 -1.92 -2.33 116.42 118.43 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 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3d7j h ASP 72 CO 0.00 0.00 -0.35 0.78 -3.12 0.00 0.00 179.24 176.55 3d7j h ASN 73 N 0.00 0.00 -2.71 6.45 2.35 -1.73 -3.45 115.58 116.48 3d7j h ASN 73 Ca 0.02 -0.03 -0.55 0.00 -0.55 0.00 0.00 56.30 55.19 3d7j h ASN 73 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3d7j h ASN 73 CO -0.00 0.01 1.02 -0.70 -1.65 0.00 0.00 177.43 176.11 3d7j s GLU 74 N -3.23 4.20 0.26 0.81 2.56 -0.88 -4.91 118.70 117.52 3d7j s GLU 74 Ca 0.06 2.05 -0.01 0.00 0.00 0.00 0.00 54.97 57.07 3d7j s GLU 74 Cb 0.09 -3.88 0.54 0.00 2.00 0.00 0.00 34.13 32.88 3d7j s GLU 74 CO 0.70 -0.78 1.76 -1.35 -0.56 0.00 0.00 175.26 175.03 3d7j h PRO 75 N 9.01 0.61 -0.01 4.30 0.11 -1.89 -1.83 132.00 142.31 3d7j h PRO 75 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3d7j h PRO 75 Cb 1.16 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3d7j h PRO 75 CO 0.95 0.41 0.01 -0.44 -0.21 0.00 0.00 178.00 178.71 3d7j h ASP 76 N 0.63 0.00 -0.57 -2.05 3.32 -1.96 -1.69 116.42 114.10 3d7j h ASP 76 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3d7j h ASP 76 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3d7j h ASP 76 CO -0.36 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.65 3d7j n PHE 77 N -4.24 0.76 -1.74 4.55 3.72 -0.72 -4.97 117.46 114.81 3d7j n PHE 77 Ca -0.03 -0.45 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 3d7j n PHE 77 Cb 0.09 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 3d7j n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d7j s ALA 78 N -1.08 3.87 0.00 4.37 0.00 -0.64 -1.75 121.76 126.54 3d7j s ALA 78 Ca 0.40 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.95 3d7j s ALA 78 Cb 0.22 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3d7j s ALA 78 CO 0.29 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3d7j n GLY 79 N 3.31 0.90 3.27 0.00 0.00 -1.26 -5.01 105.19 106.41 3d7j n GLY 79 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.59 2.42 -0.15 1.61 1.01 -0.72 -5.09 120.40 115.89 3d7j s VAL 80 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3d7j s VAL 80 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3d7j s VAL 80 CO 0.00 0.55 1.45 0.20 0.00 0.00 0.00 175.10 177.29 3d7j s ASN 81 N 0.38 6.75 -1.46 3.32 0.01 -1.26 -4.93 114.94 117.75 3d7j s ASN 81 Ca -0.15 1.83 -0.07 0.00 -0.71 0.00 0.00 52.86 53.75 3d7j s ASN 81 Cb -0.17 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3d7j s ASN 81 CO 0.07 -0.91 2.65 0.35 -1.51 0.00 0.00 177.10 177.75 3d7j n THR 82 N 5.62 4.83 -0.97 1.60 -2.24 -1.26 -4.84 114.28 117.02 3d7j n THR 82 Ca 0.16 -3.54 -0.31 0.00 -2.27 0.00 0.00 64.05 58.09 3d7j n THR 82 Cb 0.44 -2.32 0.14 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 1.19 3.54 0.20 3.42 1.04 -1.26 -4.75 113.70 117.06 3d7j s SER 83 Ca 0.61 1.94 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 3d7j s SER 83 Cb 0.18 -2.50 0.23 0.00 0.10 0.00 0.00 66.02 64.03 3d7j s SER 83 CO -0.08 -2.67 1.72 0.74 0.98 0.00 0.00 173.24 173.93 3d7j h THR 84 N -1.57 0.72 -0.57 2.02 2.02 -1.97 -0.62 112.91 112.94 3d7j h THR 84 Ca -0.45 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 3d7j h THR 84 Cb 1.26 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3d7j h THR 84 CO 0.47 0.05 0.08 1.05 0.37 0.00 0.00 175.52 177.55 3d7j h GLU 85 N 0.28 0.93 -0.30 6.66 9.09 -1.92 -1.10 114.58 128.22 3d7j h GLU 85 Ca 0.27 -0.23 -0.02 0.00 0.05 0.00 0.00 59.36 59.44 3d7j h GLU 85 Cb 0.37 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3d7j h GLU 85 CO -0.33 0.87 0.11 0.35 0.05 0.00 0.00 179.01 180.06 3d7j h PHE 86 N 0.87 0.47 -0.16 2.06 3.57 -1.75 -2.93 116.94 119.07 3d7j h PHE 86 Ca 0.18 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3d7j h PHE 86 Cb 0.40 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3d7j h PHE 86 CO 0.02 0.47 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.30 3d7j h LEU 87 N 0.33 0.26 -0.79 0.59 3.38 -0.91 -1.71 115.31 116.47 3d7j h LEU 87 Ca 0.10 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3d7j h LEU 87 Cb 0.20 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3d7j h LEU 87 CO -0.01 0.48 0.47 0.00 0.09 0.00 0.00 178.44 179.47 3d7j h ALA 88 N 1.55 1.09 -0.37 1.53 0.00 -1.03 -1.07 119.26 120.96 3d7j h ALA 88 Ca 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3d7j h ALA 88 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3d7j h ALA 88 CO 0.03 0.17 -0.37 -0.22 0.00 0.00 0.00 179.25 178.86 3d7j h LYS 89 N 0.85 0.88 -0.30 0.00 3.64 -1.23 -0.95 116.57 119.46 3d7j h LYS 89 Ca 0.35 -0.45 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3d7j h LYS 89 Cb 0.21 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3d7j h LYS 89 CO -0.19 1.10 0.03 0.28 -2.27 0.00 0.00 179.45 178.40 3d7j h VAL 90 N 0.72 0.82 -0.38 2.00 2.07 -0.79 0.98 116.25 121.67 3d7j h VAL 90 Ca 0.06 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 3d7j h VAL 90 Cb 0.95 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3d7j h VAL 90 CO 0.09 0.02 -0.25 0.40 0.02 0.00 0.00 177.57 177.85 3d7j h ILE 91 N 0.13 1.28 -0.63 4.57 2.04 -1.15 -1.98 117.51 121.77 3d7j h ILE 91 Ca 0.14 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3d7j h ILE 91 Cb 0.17 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3d7j h ILE 91 CO -0.21 0.47 0.41 0.00 0.00 0.00 0.00 178.15 178.81 3d7j h ALA 92 N 0.79 0.80 -0.53 1.87 0.00 -0.82 -0.81 119.26 120.55 3d7j h ALA 92 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3d7j h ALA 92 Cb 0.82 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3d7j h ALA 92 CO 0.07 0.19 -0.10 -0.44 0.00 0.00 0.00 179.25 178.97 3d7j h ASP 93 N 0.82 1.00 -0.35 0.00 3.32 -0.64 -0.30 116.42 120.26 3d7j h ASP 93 Ca 0.24 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3d7j h ASP 93 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3d7j h ASP 93 CO -0.07 1.11 -0.26 0.03 -1.72 0.00 0.00 179.24 178.33 3d7j h ARG 94 N 0.89 0.86 -0.64 3.56 3.08 -1.16 -1.50 114.38 119.47 3d7j h ARG 94 Ca 0.14 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3d7j h ARG 94 Cb 0.66 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3d7j h ARG 94 CO 0.05 1.02 0.32 -0.07 -1.07 0.00 0.00 179.97 180.22 3d7j h LEU 95 N 0.74 0.83 -0.58 3.04 3.38 -0.92 -2.69 115.31 119.10 3d7j h LEU 95 Ca 0.09 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3d7j h LEU 95 Cb 0.81 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3d7j h LEU 95 CO 0.07 0.72 0.35 0.00 0.09 0.00 0.00 178.44 179.66 3d7j h ALA 96 N 1.15 0.75 -0.78 1.53 0.00 -0.79 -0.50 119.26 120.61 3d7j h ALA 96 Ca 0.22 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3d7j h ALA 96 Cb 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 3d7j h ALA 96 CO -0.03 0.08 0.41 0.93 0.00 0.00 0.00 179.25 180.63 3d7j h GLU 97 N 0.69 0.64 -0.31 0.00 5.08 -1.14 0.23 114.58 119.77 3d7j h GLU 97 Ca 0.23 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3d7j h GLU 97 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3d7j h GLU 97 CO -0.10 0.42 -0.40 0.00 -1.00 0.00 0.00 179.01 177.93 3d7j h ARG 98 N 0.66 0.75 -0.09 2.33 3.08 -1.03 -1.67 114.38 118.39 3d7j h ARG 98 Ca 0.39 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3d7j h ARG 98 Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3d7j h ARG 98 CO -0.29 1.01 0.01 0.28 -1.07 0.00 0.00 179.97 179.91 3d7j h VAL 99 N 0.61 0.95 0.00 2.04 2.07 -0.57 0.59 116.25 121.94 3d7j h VAL 99 Ca 0.05 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3d7j h VAL 99 Cb 0.95 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3d7j h VAL 99 CO 0.09 0.01 -0.12 0.45 0.02 0.00 0.00 177.57 178.02 3d7j h HIS 100 N 0.05 0.00 -0.01 1.57 3.86 -0.74 -0.80 115.15 119.08 3d7j h HIS 100 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3d7j h HIS 100 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3d7j h HIS 100 CO -0.11 0.12 -0.11 1.63 0.86 0.00 0.00 177.93 180.31 3d7j n LYS 101 N -3.43 0.93 -0.63 2.45 5.02 -0.65 -4.93 118.16 116.91 3d7j n LYS 101 Ca -0.01 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3d7j n LYS 101 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3d7j n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d7j n GLY 102 N 1.24 0.68 0.15 0.72 0.00 -0.30 -4.96 105.19 102.72 3d7j n GLY 102 Ca 0.16 -0.05 0.13 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 1.00 -0.43 4.61 0.00 -1.05 -2.12 119.26 121.27 3d7j h ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3d7j n LEU 104 N -2.41 4.64 0.00 0.00 4.32 -1.25 -4.93 117.00 117.36 3d7j n LEU 104 Ca 0.02 -2.86 0.00 0.00 -0.02 0.00 0.00 56.01 53.16 3d7j n LEU 104 Cb 0.28 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 3d7j n LEU 104 CO 0.23 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 3d7j n GLY 105 N 0.17 1.91 0.26 -0.72 0.00 -0.80 -4.33 105.19 101.69 3d7j n GLY 105 Ca 0.24 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 0.39 -0.80 1.61 4.39 -1.96 -2.55 114.58 115.65 3d7j h GLU 106 Ca 0.00 -0.09 0.12 0.00 0.34 0.00 0.00 59.36 59.73 3d7j h GLU 106 Cb 0.00 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 3d7j h GLU 106 CO 0.00 0.48 0.53 0.78 -1.16 0.00 0.00 179.01 179.64 3d7j h GLY 107 N 0.80 0.99 2.00 -3.84 0.00 -1.96 -2.53 103.07 98.53 3d7j h GLY 107 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3d7j h GLY 107 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.68 3d7j h ALA 108 N 1.62 1.00 0.00 3.60 0.00 -1.64 -1.12 119.26 122.71 3d7j h ALA 108 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3d7j h ALA 108 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3d7j h ALA 108 CO -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.06 3d7j h ARG 109 N 0.00 0.00 -0.00 0.00 3.08 -1.59 -1.74 114.38 114.13 3d7j h ARG 109 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d7j h ARG 109 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3d7j h ARG 109 CO 0.00 0.03 -0.03 0.41 -1.07 0.00 0.00 179.97 179.31 3d7j n GLY 110 N -0.98 -0.97 3.77 0.04 0.00 -0.42 -4.92 105.19 101.71 3d7j n GLY 110 Ca -0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.27 4.21 0.04 0.99 1.43 -0.66 -4.76 118.68 117.66 3d7j s LEU 111 Ca 0.37 2.91 0.02 0.00 -1.03 0.00 0.00 54.13 56.40 3d7j s LEU 111 Cb 0.21 -3.83 -0.25 0.00 0.03 0.00 0.00 46.19 42.34 3d7j s LEU 111 CO 0.42 -1.00 1.01 0.00 0.23 0.00 0.00 176.35 177.00 3d7j h ALA 112 N 2.64 0.33 -2.19 4.21 0.00 -0.89 -3.42 119.26 119.95 3d7j h ALA 112 Ca -0.51 -1.06 0.30 0.00 0.00 0.00 0.00 54.91 53.65 3d7j h ALA 112 Cb 1.25 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3d7j h ALA 112 CO 0.62 1.20 0.83 0.20 0.00 0.00 0.00 179.25 182.10 3d7j s GLY 113 N -4.85 -0.08 0.03 0.00 0.00 -1.12 -1.79 107.32 99.50 3d7j s GLY 113 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 3d7j s GLY 113 CO 0.85 4.60 0.18 0.48 0.00 0.00 0.00 173.10 179.20 3d7j s LEU 114 N -3.67 1.42 -0.01 0.66 0.05 -0.32 -1.45 118.68 115.35 3d7j s LEU 114 Ca 0.27 -0.32 0.04 0.00 0.05 0.00 0.00 54.13 54.17 3d7j s LEU 114 Cb -0.01 0.87 -0.01 0.00 -2.05 0.00 0.00 46.19 45.00 3d7j s LEU 114 CO 0.01 -0.50 -0.14 -0.89 -0.55 0.00 0.00 176.35 174.27 3d7j s THR 115 N -2.21 1.13 -0.09 5.48 2.01 -0.15 -1.15 115.64 120.66 3d7j s THR 115 Ca -0.08 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3d7j s THR 115 Cb -0.03 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 3d7j s THR 115 CO -0.02 0.32 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.31 3d7j s VAL 116 N -0.27 2.11 -0.12 3.82 1.01 -0.21 -0.03 120.40 126.70 3d7j s VAL 116 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3d7j s VAL 116 Cb -0.06 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3d7j s VAL 116 CO -0.00 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.57 3d7j s THR 117 N 0.24 1.88 -0.16 3.92 2.01 -0.21 -0.55 115.64 122.77 3d7j s THR 117 Ca -0.16 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 3d7j s THR 117 Cb -0.17 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3d7j s THR 117 CO 0.08 0.52 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.71 3d7j s LEU 118 N 0.81 3.11 -0.29 4.42 1.02 0.44 -0.41 118.68 127.76 3d7j s LEU 118 Ca -0.08 -0.19 -0.08 0.00 0.02 0.00 0.00 54.13 53.79 3d7j s LEU 118 Cb -0.16 -1.74 -0.00 0.00 0.02 0.00 0.00 46.19 44.31 3d7j s LEU 118 CO -0.00 0.15 0.10 -1.00 0.02 0.00 0.00 176.35 175.62 3d7j s HIS 119 N 0.46 3.15 -0.20 0.29 3.76 -0.08 -0.74 115.29 121.92 3d7j s HIS 119 Ca -0.05 -0.78 0.22 0.00 -0.15 0.00 0.00 55.06 54.30 3d7j s HIS 119 Cb -0.15 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.21 3d7j s HIS 119 CO 0.03 -0.51 0.95 -1.91 -0.85 0.00 0.00 174.74 172.45 3d7j n GLU 120 N 4.91 0.61 -1.73 1.40 2.13 -0.82 -1.18 120.64 125.97 3d7j n GLU 120 Ca -0.14 0.09 -0.01 0.00 0.66 0.00 0.00 57.16 57.75 3d7j n GLU 120 Cb 0.49 -1.79 0.01 0.00 0.27 0.00 0.00 31.44 30.42 3d7j n GLU 120 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3d7j n SER 121 N -2.64 -0.45 0.00 4.31 3.41 -1.14 -4.55 113.62 112.55 3d7j n SER 121 Ca -0.01 -1.29 0.12 0.00 -0.26 0.00 0.00 58.87 57.43 3d7j n SER 121 Cb 0.57 0.75 0.55 0.00 -0.26 0.00 0.00 64.21 65.82 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 -0.13 0.00 -0.33 7.33 1.44 -1.26 -3.86 115.22 118.40 3d7j n HIS 122 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3d7j n HIS 122 Cb 0.13 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 29.77 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 -1.47 0.40 -3.73 0.61 0.24 -1.26 -5.04 118.33 108.08 3d7j n VAL 123 Ca 0.07 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 61.71 3d7j n VAL 123 Cb 0.28 0.93 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 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 -0.40 -0.78 0.12 2.33 0.00 -1.25 -5.12 121.76 116.66 3d7j s ALA 124 Ca 0.00 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 3d7j s ALA 124 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3d7j s ALA 124 CO 0.00 -0.20 0.33 1.67 0.00 0.00 0.00 175.76 177.57 3d7j s TRP 125 N 0.87 -0.06 0.04 0.00 -2.14 -1.26 -1.94 118.94 114.46 3d7j s TRP 125 Ca -0.06 -0.30 -0.01 0.00 2.66 0.00 0.00 56.10 58.39 3d7j s TRP 125 Cb -0.07 0.15 -0.03 0.00 -3.10 0.00 0.00 33.47 30.42 3d7j s TRP 125 CO -0.06 -0.66 -0.01 0.00 -2.66 0.00 0.00 176.95 173.56 3d7j s ALA 126 N -3.83 0.35 0.05 2.67 0.00 0.08 -4.99 121.76 116.08 3d7j s ALA 126 Ca 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 3d7j s ALA 126 Cb 0.03 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3d7j s ALA 126 CO -0.11 -0.33 0.01 -1.54 0.00 0.00 0.00 175.76 173.79 3d7j s SER 127 N -2.55 0.40 -0.05 0.00 1.04 -1.26 -0.42 113.70 110.86 3d7j s SER 127 Ca 0.01 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.58 3d7j s SER 127 Cb 0.03 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3d7j s SER 127 CO -0.08 -0.58 -0.04 -0.47 0.98 0.00 0.00 173.24 173.05 3d7j s TYR 128 N -3.58 0.77 -0.08 5.02 5.04 0.29 -4.94 117.35 119.87 3d7j s TYR 128 Ca 0.04 -0.22 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 3d7j s TYR 128 Cb 0.05 -0.69 -0.02 0.00 0.35 0.00 0.00 41.96 41.66 3d7j s TYR 128 CO -0.09 -0.21 -0.18 -2.00 -1.34 0.00 0.00 175.55 171.74 3d7j s GLU 129 N 0.99 2.81 0.09 4.97 2.12 -1.26 -1.04 118.70 127.38 3d7j s GLU 129 Ca -0.10 -0.76 -0.07 0.00 0.36 0.00 0.00 54.97 54.40 3d7j s GLU 129 Cb -0.14 -2.39 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 3d7j s GLU 129 CO -0.00 0.41 0.16 -0.98 -0.54 0.00 0.00 175.26 174.30 3d7j s ARG 130 N -0.18 0.84 0.64 4.30 1.70 -0.30 -5.01 118.95 120.93 3d7j s ARG 130 Ca -0.01 -1.04 -0.11 0.00 -0.47 0.00 0.00 55.73 54.10 3d7j s ARG 130 Cb -0.13 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 3d7j s ARG 130 CO 0.03 -0.26 1.04 0.00 -1.08 0.00 0.00 175.30 175.03 3d7j s ALA 131 N -3.89 3.00 -0.08 7.88 0.00 -1.26 -1.18 121.76 126.23 3d7j s ALA 131 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3d7j s ALA 131 Cb 0.05 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.08 3d7j s ALA 131 CO -0.09 -0.82 0.52 1.28 0.00 0.00 0.00 175.76 176.65