#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 -0.74 -4.04 0.66 -0.00 -1.26 -5.27 115.22 104.57 3d7j n HIS 0 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3d7j n HIS 0 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 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 -7.29 0.53 0.07 -1.40 0.40 -0.01 -4.71 117.98 105.57 3d7j s PHE 2 Ca 0.00 -0.56 -0.08 0.00 -0.60 0.00 0.00 56.93 55.69 3d7j s PHE 2 Cb 0.00 -0.33 -0.00 0.00 0.51 0.00 0.00 43.02 43.19 3d7j s PHE 2 CO 0.00 -0.14 0.17 -1.54 0.70 0.00 0.00 175.22 174.42 3d7j s SER 3 N -1.68 0.12 0.07 1.36 1.04 -1.26 -1.05 113.70 112.30 3d7j s SER 3 Ca -0.10 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3d7j s SER 3 Cb -0.08 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3d7j s SER 3 CO -0.01 -0.67 -0.11 0.27 0.98 0.00 0.00 173.24 173.71 3d7j s ILE 4 N -3.50 0.85 -0.03 -1.02 -5.25 -0.49 -4.98 121.20 106.79 3d7j s ILE 4 Ca 0.02 -1.33 0.03 0.00 -0.99 0.00 0.00 60.65 58.38 3d7j s ILE 4 Cb 0.03 -0.99 -0.00 0.00 2.95 0.00 0.00 42.46 44.45 3d7j s ILE 4 CO -0.09 -0.39 -0.11 -0.89 -1.79 0.00 0.00 174.94 171.67 3d7j s THR 5 N -1.69 0.93 0.08 8.37 2.01 -1.26 -0.58 115.64 123.50 3d7j s THR 5 Ca -0.03 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.62 3d7j s THR 5 Cb -0.08 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3d7j s THR 5 CO 0.01 0.28 -0.24 0.68 -0.69 0.00 0.00 174.62 174.65 3d7j s VAL 6 N 0.08 2.00 -0.12 3.82 -7.23 -0.54 -4.96 120.40 113.45 3d7j s VAL 6 Ca -0.02 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3d7j s VAL 6 Cb -0.08 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 3d7j s VAL 6 CO 0.01 0.17 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.24 3d7j s ARG 7 N -1.60 3.29 0.12 4.82 3.52 -1.26 -0.74 118.95 127.09 3d7j s ARG 7 Ca 0.11 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3d7j s ARG 7 Cb -0.10 -2.61 -0.00 0.00 -1.56 0.00 0.00 34.95 30.68 3d7j s ARG 7 CO 0.04 0.27 0.03 -3.47 -0.81 0.00 0.00 175.30 171.35 3d7j n ASP 8 N 3.36 1.40 -3.57 -2.12 -0.08 0.25 -4.98 116.55 110.81 3d7j n ASP 8 Ca -0.18 -1.61 -0.15 0.00 -1.51 0.00 0.00 54.79 51.34 3d7j n ASP 8 Cb 0.53 0.24 -0.06 0.00 2.34 0.00 0.00 41.12 44.17 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 -1.84 -0.45 0.00 -0.67 -3.43 -1.26 -0.26 115.29 107.38 3d7j s HIS 9 Ca 0.04 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 54.88 3d7j s HIS 9 Cb 0.00 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 3d7j s HIS 9 CO 0.03 -0.62 0.00 0.44 -2.00 0.00 0.00 174.74 172.59 3d7j n ILE 10 N 0.55 0.00 0.00 -5.38 -5.35 -0.60 -4.96 119.36 103.62 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 -0.45 -0.97 119.36 114.34 3d7j n ILE 12 Ca 0.00 0.00 -0.28 0.00 -1.77 0.00 0.00 62.75 60.70 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 3.04 -0.01 -1.28 0.00 -0.18 -1.06 121.76 120.27 3d7j s ALA 13 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 3d7j s ALA 13 Cb 0.00 -0.87 0.10 0.00 0.00 0.00 0.00 23.12 22.35 3d7j s ALA 13 CO 0.00 0.53 1.06 -3.38 0.00 0.00 0.00 175.76 173.96 3d7j s HIS 14 N -1.57 -0.19 0.20 0.00 -3.43 -0.34 -0.24 115.29 109.73 3d7j s HIS 14 Ca 0.25 0.03 0.03 0.00 -0.80 0.00 0.00 55.06 54.57 3d7j s HIS 14 Cb -0.10 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.56 3d7j s HIS 14 CO 0.16 -0.48 -0.01 -1.54 -2.00 0.00 0.00 174.74 170.87 3d7j s SER 15 N -2.62 1.57 0.13 7.38 1.04 -1.26 -0.91 113.70 119.03 3d7j s SER 15 Ca 0.09 -1.18 0.10 0.00 0.48 0.00 0.00 55.95 55.44 3d7j s SER 15 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 3d7j s SER 15 CO -0.04 -0.52 -0.22 -0.36 0.98 0.00 0.00 173.24 173.07 3d7j s PHE 16 N -3.51 2.42 -0.21 5.02 2.99 -0.62 -4.71 117.98 119.37 3d7j s PHE 16 Ca 0.26 -0.32 -0.07 0.00 0.00 0.00 0.00 56.93 56.80 3d7j s PHE 16 Cb 0.05 -1.29 -0.03 0.00 0.00 0.00 0.00 43.02 41.75 3d7j s PHE 16 CO 0.06 0.37 0.05 0.50 -0.00 0.00 0.00 175.22 176.20 3d7j s ARG 17 N -2.12 3.81 0.00 0.44 3.52 -1.26 -4.16 118.95 119.17 3d7j s ARG 17 Ca 0.16 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 3d7j s ARG 17 Cb -0.10 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3d7j s ARG 17 CO 0.08 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 3d7j n GLY 18 N 4.09 4.40 0.28 8.12 0.00 -1.26 -4.95 105.19 115.88 3d7j n GLY 18 Ca -0.16 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.79 3d7j n GLY 18 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d7j h ASP 19 N 0.00 0.34 -1.13 1.61 3.32 -1.96 -2.45 116.42 116.15 3d7j h ASP 19 Ca 0.00 -0.03 0.32 0.00 0.02 0.00 0.00 57.03 57.34 3d7j h ASP 19 Cb 0.00 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3d7j h ASP 19 CO 0.00 0.33 0.80 1.62 -1.72 0.00 0.00 179.24 180.28 3d7j h VAL 20 N 0.38 0.44 0.00 -1.35 3.04 -2.01 -2.49 116.25 114.26 3d7j h VAL 20 Ca 0.09 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 3d7j h VAL 20 Cb 0.12 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 3d7j h VAL 20 CO -0.01 0.01 -0.25 0.49 -1.01 0.00 0.00 177.57 176.81 3d7j n PHE 21 N -4.25 0.75 0.00 3.17 3.72 -0.92 -4.99 117.46 114.95 3d7j n PHE 21 Ca 0.25 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 3d7j n PHE 21 Cb 1.16 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.33 3.86 0.20 1.37 0.00 -0.94 -1.37 105.19 109.63 3d7j n GLY 22 Ca 0.05 0.14 0.14 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 -1.94 -2.34 132.00 129.46 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 -1.90 2.14 0.24 -0.56 0.00 -0.47 -1.75 120.51 118.20 3d7j n ALA 24 Ca 0.01 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.44 3d7j n ALA 24 Cb 0.24 -1.34 0.58 0.00 0.00 0.00 0.00 19.45 18.94 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 -7.09 0.00 4.20 -1.57 -1.65 115.11 109.01 3d7j h GLN 25 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 3d7j h GLN 25 Cb 0.14 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.96 3d7j h GLN 25 CO 0.00 0.20 0.40 1.03 -0.67 0.00 0.00 178.83 179.79 3d7j s ARG 26 N -4.06 3.61 0.02 1.46 0.52 -0.72 -4.02 118.95 115.76 3d7j s ARG 26 Ca -0.02 1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 56.32 3d7j s ARG 26 Cb 0.13 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.46 3d7j s ARG 26 CO 0.63 -0.61 1.89 -1.17 0.02 0.00 0.00 175.30 176.06 3d7j s LEU 27 N -3.68 4.41 0.00 2.53 2.96 -1.26 -4.43 118.68 119.20 3d7j s LEU 27 Ca 0.69 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.18 3d7j s LEU 27 Cb -0.19 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3d7j s LEU 27 CO 0.24 -1.02 0.00 0.00 -1.32 0.00 0.00 176.35 174.24 3d7j n HIS 28 N 7.36 0.00 -3.43 5.38 1.44 -0.09 -4.98 115.22 120.90 3d7j n HIS 28 Ca 0.19 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.87 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 2.07 3.56 -1.39 0.00 -1.26 -1.20 105.19 106.97 3d7j n GLY 29 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.58 -1.79 -0.28 4.61 0.00 -0.22 -4.91 121.76 117.58 3d7j s ALA 30 Ca 0.07 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 3d7j s ALA 30 Cb -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3d7j s ALA 30 CO 0.05 -0.35 0.21 0.99 0.00 0.00 0.00 175.76 176.65 3d7j s THR 31 N -0.70 5.30 -0.29 0.00 2.01 -1.26 -1.34 115.64 119.36 3d7j s THR 31 Ca -0.07 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 3d7j s THR 31 Cb -0.02 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 3d7j s THR 31 CO 0.06 0.24 0.16 -0.36 -0.69 0.00 0.00 174.62 174.04 3d7j s PHE 32 N 1.76 3.18 0.07 4.92 0.08 -0.15 -4.34 117.98 123.50 3d7j s PHE 32 Ca 0.08 -0.21 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 3d7j s PHE 32 Cb -0.16 -2.36 -0.06 0.00 -0.57 0.00 0.00 43.02 39.88 3d7j s PHE 32 CO 0.11 -0.30 1.18 -0.51 -0.10 0.00 0.00 175.22 175.59 3d7j s LEU 33 N 1.69 4.38 -0.26 -0.37 1.43 -0.55 -1.55 118.68 123.45 3d7j s LEU 33 Ca 0.06 2.01 -0.00 0.00 -1.03 0.00 0.00 54.13 55.17 3d7j s LEU 33 Cb -0.16 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3d7j s LEU 33 CO 0.08 -0.44 -0.07 -0.69 0.23 0.00 0.00 176.35 175.46 3d7j s VAL 34 N 0.93 2.65 -0.23 -1.59 1.01 0.64 -0.69 120.40 123.12 3d7j s VAL 34 Ca 0.58 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3d7j s VAL 34 Cb -0.29 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3d7j s VAL 34 CO 0.30 0.08 0.01 -1.81 0.00 0.00 0.00 175.10 173.67 3d7j s ASP 35 N 1.24 4.67 -0.24 3.32 1.01 0.48 -0.58 116.67 126.56 3d7j s ASP 35 Ca -0.04 -0.30 -0.07 0.00 0.71 0.00 0.00 52.55 52.85 3d7j s ASP 35 Cb -0.18 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 3d7j s ASP 35 CO -0.04 -0.02 0.06 0.00 0.21 0.00 0.00 175.17 175.37 3d7j s ALA 36 N 1.50 3.14 -0.19 5.23 0.00 0.08 -0.90 121.76 130.63 3d7j s ALA 36 Ca 0.06 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 3d7j s ALA 36 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3d7j s ALA 36 CO -0.00 -0.41 0.03 0.99 0.00 0.00 0.00 175.76 176.36 3d7j s THR 37 N 1.48 4.36 -0.10 0.00 2.01 0.94 -1.47 115.64 122.85 3d7j s THR 37 Ca 0.06 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.88 3d7j s THR 37 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 3d7j s THR 37 CO 0.03 0.45 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.92 3d7j s PHE 38 N 0.62 2.79 0.05 4.92 0.08 0.26 -0.84 117.98 125.86 3d7j s PHE 38 Ca 0.01 -0.46 0.07 0.00 0.12 0.00 0.00 56.93 56.67 3d7j s PHE 38 Cb -0.14 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 3d7j s PHE 38 CO 0.02 -0.07 -0.20 -0.98 -0.10 0.00 0.00 175.22 173.89 3d7j s ARG 39 N -0.02 1.27 0.08 0.44 1.70 -0.61 -1.39 118.95 120.43 3d7j s ARG 39 Ca -0.03 -0.96 -0.15 0.00 -0.47 0.00 0.00 55.73 54.11 3d7j s ARG 39 Cb -0.14 -1.40 0.03 0.00 -0.57 0.00 0.00 34.95 32.86 3d7j s ARG 39 CO 0.04 0.35 0.35 -0.98 -1.08 0.00 0.00 175.30 173.98 3d7j s ARG 40 N -1.33 0.94 0.13 3.89 1.70 -0.21 -0.35 118.95 123.72 3d7j s ARG 40 Ca 0.06 -0.61 0.03 0.00 -0.47 0.00 0.00 55.73 54.75 3d7j s ARG 40 Cb -0.09 0.41 -0.13 0.00 -0.57 0.00 0.00 34.95 34.58 3d7j s ARG 40 CO 0.02 -0.34 1.30 0.93 -1.08 0.00 0.00 175.30 176.14 3d7j h GLU 41 N 2.77 0.12 -4.56 3.89 5.08 -1.85 0.00 114.58 120.03 3d7j h GLU 41 Ca -0.33 -0.17 -0.39 0.00 -1.00 0.00 0.00 59.36 57.47 3d7j h GLU 41 Cb 1.22 0.06 -0.30 0.00 0.50 0.00 0.00 28.75 30.23 3d7j h GLU 41 CO 0.47 1.01 -0.78 -0.65 -1.00 0.00 0.00 179.01 178.06 3d7j s GLN 42 N -2.91 0.75 0.64 2.33 -1.52 -1.26 -4.63 119.66 113.06 3d7j s GLN 42 Ca -0.01 -0.28 -0.18 0.00 -1.95 0.00 0.00 55.36 52.94 3d7j s GLN 42 Cb 0.10 -0.72 -0.01 0.00 -0.22 0.00 0.00 33.01 32.15 3d7j s GLN 42 CO 0.83 0.13 1.28 -0.51 -0.25 0.00 0.00 175.29 176.77 3d7j s LEU 43 N 0.01 3.59 0.00 2.90 1.43 -1.26 -4.96 118.68 120.39 3d7j s LEU 43 Ca 0.00 2.57 -0.05 0.00 -1.03 0.00 0.00 54.13 55.62 3d7j s LEU 43 Cb -0.06 -4.61 0.07 0.00 0.03 0.00 0.00 46.19 41.62 3d7j s LEU 43 CO -0.00 -1.93 0.40 -0.90 0.23 0.00 0.00 176.35 174.15 3d7j n ASP 44 N -1.86 0.00 0.26 2.29 5.68 -0.16 -4.83 116.55 117.93 3d7j n ASP 44 Ca 0.15 -1.14 0.18 0.00 -0.50 0.00 0.00 54.79 53.48 3d7j n ASP 44 Cb 0.48 -0.31 0.80 0.00 -1.14 0.00 0.00 41.12 40.96 3d7j n ASP 44 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3d7j h GLU 45 N 0.00 0.00 -0.14 0.11 4.11 -1.96 -0.87 114.58 115.84 3d7j h GLU 45 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 3d7j h GLU 45 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3d7j h GLU 45 CO 0.09 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.92 3d7j n ASP 46 N -2.89 2.01 -1.41 3.06 8.00 -1.26 -4.94 116.55 119.12 3d7j n ASP 46 Ca -0.00 -1.72 -0.10 0.00 0.71 0.00 0.00 54.79 53.68 3d7j n ASP 46 Cb 0.21 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.55 -3.51 -4.29 -2.24 5.15 -0.33 -5.05 115.26 105.54 3d7j n ASN 47 Ca 0.17 -0.11 -0.15 0.00 -0.60 0.00 0.00 54.58 53.89 3d7j n ASN 47 Cb 0.40 -2.48 -0.10 0.00 -0.53 0.00 0.00 39.78 37.07 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 -2.76 0.76 -0.10 -1.44 -4.36 -1.26 -4.83 121.20 107.22 3d7j s ILE 48 Ca 0.11 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.23 3d7j s ILE 48 Cb -0.05 -2.32 -0.26 0.00 1.25 0.00 0.00 42.46 41.08 3d7j s ILE 48 CO 0.14 -0.31 0.87 0.58 0.24 0.00 0.00 174.94 176.46 3d7j h VAL 49 N 2.54 1.68 -2.72 8.37 2.07 -1.94 -0.40 116.25 125.86 3d7j h VAL 49 Ca -0.38 -2.23 -0.10 0.00 0.82 0.00 0.00 66.70 64.82 3d7j h VAL 49 Cb 1.22 3.18 -0.19 0.00 -1.52 0.00 0.00 31.29 33.98 3d7j h VAL 49 CO 0.63 0.59 -0.11 0.54 0.02 0.00 0.00 177.57 179.24 3d7j s VAL 50 N -2.54 0.04 -0.56 2.57 0.11 -1.26 -4.81 120.40 113.95 3d7j s VAL 50 Ca -0.17 -0.33 -0.31 0.00 -2.93 0.00 0.00 61.98 58.24 3d7j s VAL 50 Cb -0.01 -0.77 -0.12 0.00 -1.53 0.00 0.00 36.38 33.94 3d7j s VAL 50 CO 0.72 -0.18 2.40 -0.67 -3.33 0.00 0.00 175.10 174.04 3d7j n ASP 51 N 1.07 1.74 0.08 3.54 -0.08 -1.26 -4.82 116.55 116.81 3d7j n ASP 51 Ca -0.20 0.03 0.02 0.00 -1.51 0.00 0.00 54.79 53.13 3d7j n ASP 51 Cb 0.57 -1.29 0.38 0.00 2.34 0.00 0.00 41.12 43.12 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 7.54 1.16 -0.48 5.18 2.10 -1.98 0.15 117.51 131.19 3d7j h ILE 52 Ca -0.21 -0.67 -0.06 0.00 1.08 0.00 0.00 64.86 65.00 3d7j h ILE 52 Cb 1.30 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 38.06 3d7j h ILE 52 CO 1.16 0.22 0.05 1.23 -1.08 0.00 0.00 178.15 179.73 3d7j h GLY 53 N 0.70 0.87 1.50 8.18 0.00 -1.99 -0.82 103.07 111.51 3d7j h GLY 53 Ca 0.07 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 3d7j h GLY 53 CO 0.01 0.56 -0.52 1.41 0.00 0.00 0.00 176.54 178.00 3d7j h LEU 54 N 0.68 0.58 -0.09 3.11 3.38 -1.82 -1.02 115.31 120.14 3d7j h LEU 54 Ca 0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3d7j h LEU 54 Cb 0.43 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3d7j h LEU 54 CO 0.01 1.00 0.05 0.00 0.09 0.00 0.00 178.44 179.60 3d7j h ALA 55 N 1.02 0.11 -0.52 1.53 0.00 -0.83 0.30 119.26 120.87 3d7j h ALA 55 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3d7j h ALA 55 Cb 1.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3d7j h ALA 55 CO 0.10 -0.38 -0.05 1.79 0.00 0.00 0.00 179.25 180.71 3d7j h THR 56 N 0.10 1.27 -0.17 0.00 1.35 -1.17 -0.48 112.91 113.81 3d7j h THR 56 Ca 0.03 -1.17 0.02 0.00 -0.55 0.00 0.00 66.41 64.75 3d7j h THR 56 Cb 0.01 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 3d7j h THR 56 CO -0.01 0.41 0.02 -0.61 -0.25 0.00 0.00 175.52 175.08 3d7j h GLN 57 N 0.81 0.08 -0.16 4.72 4.15 -0.97 0.88 115.11 124.62 3d7j h GLN 57 Ca 0.14 -0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.34 3d7j h GLN 57 Cb 0.59 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.27 3d7j h GLN 57 CO 0.04 0.05 -0.74 0.93 -1.93 0.00 0.00 178.83 177.18 3d7j h GLU 58 N 0.08 0.73 -0.65 1.69 4.39 -0.35 0.08 114.58 120.54 3d7j h GLU 58 Ca 0.08 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3d7j h GLU 58 Cb 0.08 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3d7j h GLU 58 CO -0.12 1.19 0.41 1.25 -1.16 0.00 0.00 179.01 180.59 3d7j h LEU 59 N 0.51 0.77 -0.74 1.33 5.85 -1.04 -0.48 115.31 121.50 3d7j h LEU 59 Ca -0.04 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3d7j h LEU 59 Cb 1.35 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3d7j h LEU 59 CO 0.15 0.58 0.47 1.23 -0.34 0.00 0.00 178.44 180.53 3d7j h GLY 60 N 0.89 1.07 0.99 3.75 0.00 -0.54 -0.31 103.07 108.91 3d7j h GLY 60 Ca 0.24 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3d7j h GLY 60 CO -0.05 0.30 0.16 0.00 0.00 0.00 0.00 176.54 176.96 3d7j h ALA 61 N 1.31 0.71 0.36 3.60 0.00 -0.64 0.98 119.26 125.59 3d7j h ALA 61 Ca 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3d7j h ALA 61 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3d7j h ALA 61 CO -0.11 0.38 -0.18 0.28 0.00 0.00 0.00 179.25 179.62 3d7j h VAL 62 N 0.75 0.65 0.00 0.00 2.07 -0.55 -3.12 116.25 116.06 3d7j h VAL 62 Ca 0.17 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3d7j h VAL 62 Cb 0.29 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3d7j h VAL 62 CO -0.00 0.05 -0.25 -0.37 0.02 0.00 0.00 177.57 177.02 3d7j h VAL 63 N -0.64 0.55 -0.19 2.57 -1.51 -1.09 -3.00 116.25 112.93 3d7j h VAL 63 Ca -0.05 -1.28 0.06 0.00 -1.23 0.00 0.00 66.70 64.20 3d7j h VAL 63 Cb 0.46 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 3d7j h VAL 63 CO 0.08 0.24 0.15 1.23 -1.23 0.00 0.00 177.57 178.05 3d7j h GLY 64 N 2.44 0.00 2.00 5.19 0.00 -0.73 0.11 103.07 112.07 3d7j h GLY 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d7j h GLY 64 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 3d7j h ALA 65 N 1.88 1.00 0.00 3.60 0.00 -1.51 -3.25 119.26 120.98 3d7j h ALA 65 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3d7j h ALA 65 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3d7j h ALA 65 CO -0.00 0.00 -1.74 1.28 0.00 0.00 0.00 179.25 178.79 3d7j n LEU 66 N -2.31 0.00 -4.77 0.00 4.77 0.25 -5.01 117.00 109.94 3d7j n LEU 66 Ca 0.03 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 3d7j n LEU 66 Cb 0.27 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3d7j n LEU 66 CO 0.22 0.13 0.97 0.21 -1.33 0.00 0.00 177.39 177.59 3d7j s ASN 67 N -4.01 6.19 -1.61 -1.43 2.47 -0.45 -3.01 114.94 113.09 3d7j s ASN 67 Ca -0.06 2.67 -0.04 0.00 0.42 0.00 0.00 52.86 55.85 3d7j s ASN 67 Cb 0.07 -2.64 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 3d7j s ASN 67 CO 0.57 -0.94 0.44 -1.22 -3.72 0.00 0.00 177.10 172.22 3d7j n TYR 68 N -0.02 -1.71 -4.34 0.43 4.01 -1.26 -4.99 117.16 109.28 3d7j n TYR 68 Ca 0.04 0.38 -0.20 0.00 -0.16 0.00 0.00 57.90 57.96 3d7j n TYR 68 Cb 0.44 -4.29 -0.11 0.00 -0.31 0.00 0.00 39.34 35.07 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 -5.53 1.30 -0.46 -0.72 0.52 -1.16 -5.01 118.95 107.88 3d7j s ARG 69 Ca 0.22 -1.49 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 3d7j s ARG 69 Cb -0.10 -1.24 0.04 0.00 0.52 0.00 0.00 34.95 34.17 3d7j s ARG 69 CO 0.28 0.23 0.55 1.21 0.02 0.00 0.00 175.30 177.58 3d7j s ASN 70 N -2.96 6.22 0.48 0.23 3.84 -1.26 -1.01 114.94 120.50 3d7j s ASN 70 Ca 0.19 -0.76 0.32 0.00 0.21 0.00 0.00 52.86 52.81 3d7j s ASN 70 Cb -0.04 -2.26 1.34 0.00 -0.55 0.00 0.00 41.25 39.74 3d7j s ASN 70 CO 0.07 -0.75 1.94 -0.07 -2.79 0.00 0.00 177.10 175.50 3d7j h LEU 71 N 9.40 0.00 -1.91 3.21 3.38 -0.98 -1.74 115.31 126.67 3d7j h LEU 71 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3d7j h LEU 71 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3d7j h LEU 71 CO 0.89 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 179.75 3d7j h ASP 72 N 0.00 0.00 -0.46 -0.43 5.19 -1.93 -2.47 116.42 116.32 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 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 3d7j h ASP 72 CO 0.00 0.11 0.00 0.59 -3.12 0.00 0.00 179.24 176.82 3d7j n ASN 73 N -4.11 3.39 -4.65 6.45 3.02 -0.66 -4.85 115.26 113.85 3d7j n ASN 73 Ca -0.02 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.16 3d7j n ASN 73 Cb 0.19 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.19 4.20 0.40 3.52 0.41 -0.93 -4.96 118.70 120.15 3d7j s GLU 74 Ca 0.37 0.89 0.16 0.00 -0.41 0.00 0.00 54.97 55.98 3d7j s GLU 74 Cb 0.20 -3.62 1.04 0.00 -1.78 0.00 0.00 34.13 29.97 3d7j s GLU 74 CO 0.28 -0.44 1.84 -1.35 -0.49 0.00 0.00 175.26 175.10 3d7j h PRO 75 N 7.61 0.44 0.00 0.39 0.11 -1.91 -1.12 132.00 137.51 3d7j h PRO 75 Ca -0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3d7j h PRO 75 Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3d7j h PRO 75 CO 0.85 0.29 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.46 3d7j h ASP 76 N 0.46 0.00 -0.04 -2.05 3.32 -1.94 -2.91 116.42 113.26 3d7j h ASP 76 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3d7j h ASP 76 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3d7j h ASP 76 CO -0.20 0.03 0.00 0.49 -1.72 0.00 0.00 179.24 177.84 3d7j n PHE 77 N -3.73 0.12 -1.68 4.55 0.99 -0.44 -5.03 117.46 112.25 3d7j n PHE 77 Ca -0.03 -0.84 -0.48 0.00 -0.00 0.00 0.00 57.45 56.11 3d7j n PHE 77 Cb 0.12 -0.14 -0.05 0.00 -1.00 0.00 0.00 39.48 38.42 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 -1.01 1.00 -0.98 4.37 0.00 -1.10 -1.21 120.51 121.58 3d7j n ALA 78 Ca 0.12 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3d7j n ALA 78 Cb 0.56 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 4.08 0.73 3.51 0.00 0.00 -1.26 -5.01 105.19 107.23 3d7j n GLY 79 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.00 3.34 -0.21 1.61 1.01 -0.35 -5.08 120.40 117.71 3d7j s VAL 80 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3d7j s VAL 80 Cb 0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3d7j s VAL 80 CO 0.00 0.58 1.31 0.20 0.00 0.00 0.00 175.10 177.19 3d7j s ASN 81 N -0.60 6.81 -1.32 3.32 0.01 -1.26 -4.93 114.94 116.97 3d7j s ASN 81 Ca 0.09 1.54 -0.07 0.00 -0.71 0.00 0.00 52.86 53.71 3d7j s ASN 81 Cb -0.11 -2.54 0.13 0.00 0.41 0.00 0.00 41.25 39.14 3d7j s ASN 81 CO 0.01 -0.90 2.21 0.35 -1.51 0.00 0.00 177.10 177.26 3d7j n THR 82 N 5.71 4.83 -1.01 1.60 -2.24 -1.26 -4.87 114.28 117.03 3d7j n THR 82 Ca 0.15 -4.26 -0.31 0.00 -2.27 0.00 0.00 64.05 57.36 3d7j n THR 82 Cb 0.45 -2.22 0.13 0.00 -2.10 0.00 0.00 70.33 66.60 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 0.67 3.61 0.20 3.42 1.04 -1.26 -4.76 113.70 116.61 3d7j s SER 83 Ca 0.49 1.89 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 3d7j s SER 83 Cb 0.15 -2.48 0.22 0.00 0.10 0.00 0.00 66.02 64.01 3d7j s SER 83 CO -0.05 -2.61 1.76 0.74 0.98 0.00 0.00 173.24 174.05 3d7j h THR 84 N -1.53 0.84 -0.49 2.02 2.02 -1.97 -0.89 112.91 112.92 3d7j h THR 84 Ca -0.45 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3d7j h THR 84 Cb 1.26 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3d7j h THR 84 CO 0.48 0.08 -0.04 1.05 0.37 0.00 0.00 175.52 177.46 3d7j h GLU 85 N 0.44 0.84 -0.31 6.66 9.09 -1.91 -1.26 114.58 128.12 3d7j h GLU 85 Ca 0.27 -0.25 -0.02 0.00 0.05 0.00 0.00 59.36 59.41 3d7j h GLU 85 Cb 0.28 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3d7j h GLU 85 CO -0.25 0.87 0.14 0.35 0.05 0.00 0.00 179.01 180.16 3d7j h PHE 86 N 0.77 0.47 -0.29 2.06 3.57 -1.76 -2.85 116.94 118.91 3d7j h PHE 86 Ca 0.14 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3d7j h PHE 86 Cb 0.52 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3d7j h PHE 86 CO 0.03 0.43 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.44 3d7j h LEU 87 N 0.36 0.42 -0.90 0.59 3.38 -1.01 -1.85 115.31 116.31 3d7j h LEU 87 Ca 0.11 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3d7j h LEU 87 Cb 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3d7j h LEU 87 CO -0.01 0.51 0.59 0.00 0.09 0.00 0.00 178.44 179.62 3d7j h ALA 88 N 1.54 1.16 -0.41 1.53 0.00 -1.03 -0.38 119.26 121.67 3d7j h ALA 88 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3d7j h ALA 88 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3d7j h ALA 88 CO 0.01 0.50 -0.02 -0.22 0.00 0.00 0.00 179.25 179.52 3d7j h LYS 89 N 1.18 0.75 -0.39 0.00 3.64 -1.21 -0.79 116.57 119.76 3d7j h LYS 89 Ca 0.34 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3d7j h LYS 89 Cb -0.08 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 3d7j h LYS 89 CO -0.09 0.84 0.05 0.28 -2.27 0.00 0.00 179.45 178.26 3d7j h VAL 90 N 0.57 0.77 -0.37 2.00 2.07 -0.88 0.11 116.25 120.53 3d7j h VAL 90 Ca 0.11 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 3d7j h VAL 90 Cb 0.52 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3d7j h VAL 90 CO 0.03 0.03 -0.01 0.40 0.02 0.00 0.00 177.57 178.03 3d7j h ILE 91 N 0.17 1.26 -0.63 4.57 2.04 -1.03 -1.63 117.51 122.27 3d7j h ILE 91 Ca 0.19 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 65.06 3d7j h ILE 91 Cb 0.24 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3d7j h ILE 91 CO -0.27 0.34 0.38 0.00 0.00 0.00 0.00 178.15 178.60 3d7j h ALA 92 N 0.86 0.82 -0.25 1.87 0.00 -0.78 -0.60 119.26 121.18 3d7j h ALA 92 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3d7j h ALA 92 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3d7j h ALA 92 CO 0.02 0.11 -0.43 -0.44 0.00 0.00 0.00 179.25 178.51 3d7j h ASP 93 N 0.74 0.66 -0.30 0.00 3.32 -0.67 -0.54 116.42 119.62 3d7j h ASP 93 Ca 0.26 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 3d7j h ASP 93 Cb 0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3d7j h ASP 93 CO -0.12 1.00 -0.30 0.03 -1.72 0.00 0.00 179.24 178.13 3d7j h ARG 94 N 0.50 0.81 -0.66 3.56 3.08 -1.00 -1.21 114.38 119.47 3d7j h ARG 94 Ca 0.04 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 3d7j h ARG 94 Cb 0.95 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 3d7j h ARG 94 CO 0.09 1.01 0.35 -0.07 -1.07 0.00 0.00 179.97 180.27 3d7j h LEU 95 N 0.69 0.84 -0.72 3.04 3.38 -0.90 -2.65 115.31 118.99 3d7j h LEU 95 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3d7j h LEU 95 Cb 0.85 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3d7j h LEU 95 CO 0.07 0.71 0.43 0.00 0.09 0.00 0.00 178.44 179.74 3d7j h ALA 96 N 1.16 0.92 -0.72 1.53 0.00 -0.81 -0.20 119.26 121.15 3d7j h ALA 96 Ca 0.23 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3d7j h ALA 96 Cb 0.07 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3d7j h ALA 96 CO -0.03 0.40 0.41 1.49 0.00 0.00 0.00 179.25 181.51 3d7j h GLU 97 N 0.99 0.72 -0.41 0.00 4.81 -1.09 -0.19 114.58 119.40 3d7j h GLU 97 Ca 0.26 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 3d7j h GLU 97 Cb -0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3d7j h GLU 97 CO -0.05 0.47 -0.36 0.00 -0.73 0.00 0.00 179.01 178.35 3d7j h ARG 98 N 0.74 0.96 -0.58 1.92 3.08 -1.06 -1.64 114.38 117.79 3d7j h ARG 98 Ca 0.33 -0.49 0.06 0.00 0.07 0.00 0.00 59.98 59.95 3d7j h ARG 98 Cb 0.22 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3d7j h ARG 98 CO -0.20 1.15 0.29 0.28 -1.07 0.00 0.00 179.97 180.42 3d7j h VAL 99 N 0.79 0.93 0.00 2.04 2.07 -0.49 -0.13 116.25 121.46 3d7j h VAL 99 Ca 0.07 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3d7j h VAL 99 Cb 0.95 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3d7j h VAL 99 CO 0.09 0.10 0.00 0.45 0.02 0.00 0.00 177.57 178.23 3d7j h HIS 100 N 0.55 0.00 -0.10 1.57 3.86 -0.79 -2.11 115.15 118.13 3d7j h HIS 100 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3d7j h HIS 100 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3d7j h HIS 100 CO -0.10 0.00 0.00 1.63 0.86 0.00 0.00 177.93 180.32 3d7j n LYS 101 N -2.78 1.82 -0.81 2.45 5.02 -0.64 -4.95 118.16 118.27 3d7j n LYS 101 Ca 0.03 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 3d7j n LYS 101 Cb 0.37 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.20 0.59 0.20 0.72 0.00 -0.79 -4.95 105.19 102.16 3d7j n GLY 102 Ca 0.17 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.42 4.61 0.00 -1.22 -2.19 119.26 121.04 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 -2.66 4.60 0.00 0.00 4.32 -1.26 -4.92 117.00 117.08 3d7j n LEU 104 Ca 0.01 -2.87 0.00 0.00 -0.02 0.00 0.00 56.01 53.13 3d7j n LEU 104 Cb 0.27 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 3d7j n LEU 104 CO 0.24 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 3d7j n GLY 105 N 0.13 0.86 0.27 -0.72 0.00 -0.82 -4.22 105.19 100.69 3d7j n GLY 105 Ca 0.24 -1.74 -0.00 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 0.53 0.00 1.61 4.39 -1.96 -2.62 114.58 116.54 3d7j h GLU 106 Ca 0.00 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3d7j h GLU 106 Cb 0.00 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3d7j h GLU 106 CO 0.00 0.57 -0.03 0.78 -1.16 0.00 0.00 179.01 179.17 3d7j h GLY 107 N 0.85 0.00 2.00 -3.84 0.00 -1.97 -2.14 103.07 97.97 3d7j h GLY 107 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3d7j h GLY 107 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3d7j h ALA 108 N 1.97 1.00 0.00 3.60 0.00 -1.64 -2.09 119.26 122.10 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3d7j h ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3d7j h ARG 109 N 0.00 0.00 -0.00 0.00 3.08 -1.53 -1.85 114.38 114.08 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 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3d7j h ARG 109 CO 0.00 0.00 -0.01 0.41 -1.07 0.00 0.00 179.97 179.30 3d7j n GLY 110 N -0.49 -1.33 3.76 0.04 0.00 -0.78 -4.91 105.19 101.48 3d7j n GLY 110 Ca -0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3d7j n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d7j n LEU 111 N -1.33 5.17 0.07 0.99 4.77 -0.70 -4.76 117.00 121.22 3d7j n LEU 111 Ca 0.13 1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 57.08 3d7j n LEU 111 Cb 0.27 -1.60 -0.14 0.00 -2.33 0.00 0.00 43.42 39.62 3d7j n LEU 111 CO 0.24 -0.18 -0.13 0.00 -1.33 0.00 0.00 177.39 175.99 3d7j h ALA 112 N 2.23 0.26 -1.81 -1.18 0.00 -1.04 -3.42 119.26 114.30 3d7j h ALA 112 Ca -0.51 -1.00 0.31 0.00 0.00 0.00 0.00 54.91 53.71 3d7j h ALA 112 Cb 1.27 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3d7j h ALA 112 CO 0.61 1.13 0.77 0.41 0.00 0.00 0.00 179.25 182.17 3d7j n GLY 113 N 1.53 0.18 3.24 0.00 0.00 -1.17 -0.66 105.19 108.33 3d7j n GLY 113 Ca -0.10 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 1.04 -0.02 0.99 0.05 -0.39 -1.57 118.68 118.78 3d7j s LEU 114 Ca 0.25 -0.46 0.03 0.00 0.05 0.00 0.00 54.13 53.99 3d7j s LEU 114 Cb -0.00 1.32 -0.00 0.00 -2.05 0.00 0.00 46.19 45.45 3d7j s LEU 114 CO -0.02 -0.74 -0.10 -0.89 -0.55 0.00 0.00 176.35 174.05 3d7j s THR 115 N -3.56 0.84 -0.12 5.48 2.01 -0.02 -1.20 115.64 119.07 3d7j s THR 115 Ca 0.02 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3d7j s THR 115 Cb 0.03 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 3d7j s THR 115 CO -0.10 0.25 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.21 3d7j s VAL 116 N 0.04 2.46 -0.12 3.82 1.01 -0.14 -0.04 120.40 127.43 3d7j s VAL 116 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3d7j s VAL 116 Cb -0.07 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3d7j s VAL 116 CO 0.00 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 3d7j s THR 117 N 0.49 2.37 -0.16 3.92 2.01 -0.07 -0.93 115.64 123.26 3d7j s THR 117 Ca -0.13 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 3d7j s THR 117 Cb -0.17 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 3d7j s THR 117 CO 0.05 0.54 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.68 3d7j s LEU 118 N 0.51 2.86 -0.32 4.42 1.02 0.37 -0.39 118.68 127.15 3d7j s LEU 118 Ca -0.13 -0.32 -0.10 0.00 0.02 0.00 0.00 54.13 53.60 3d7j s LEU 118 Cb -0.17 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 3d7j s LEU 118 CO 0.05 0.11 0.17 -1.00 0.02 0.00 0.00 176.35 175.69 3d7j s HIS 119 N 0.72 3.19 -0.27 0.29 3.76 0.13 -0.56 115.29 122.55 3d7j s HIS 119 Ca -0.04 -0.51 0.21 0.00 -0.15 0.00 0.00 55.06 54.57 3d7j s HIS 119 Cb -0.15 -2.38 0.08 0.00 1.11 0.00 0.00 32.58 31.24 3d7j s HIS 119 CO 0.02 -0.44 1.21 1.05 -0.85 0.00 0.00 174.74 175.73 3d7j h GLU 120 N 8.38 0.00 0.00 1.40 4.11 -1.47 -1.45 114.58 125.55 3d7j h GLU 120 Ca -0.32 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.13 3d7j h GLU 120 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3d7j h GLU 120 CO 0.62 0.08 0.10 -1.13 0.07 0.00 0.00 179.01 178.74 3d7j n SER 121 N -2.87 -0.38 0.00 3.06 3.41 -1.10 -4.51 113.62 111.24 3d7j n SER 121 Ca 0.00 -1.22 0.12 0.00 -0.26 0.00 0.00 58.87 57.51 3d7j n SER 121 Cb 0.60 0.62 0.57 0.00 -0.26 0.00 0.00 64.21 65.73 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 -0.39 7.33 1.44 -1.26 -3.80 115.22 118.41 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 0.12 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 29.81 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 -1.42 0.31 -3.72 0.61 0.24 -1.26 -5.03 118.33 108.05 3d7j n VAL 123 Ca 0.08 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 3d7j n VAL 123 Cb 0.25 1.04 -0.11 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.31 -0.90 0.19 2.33 0.00 -1.25 -5.12 121.76 116.71 3d7j s ALA 124 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3d7j s ALA 124 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3d7j s ALA 124 CO 0.00 -0.21 0.39 1.67 0.00 0.00 0.00 175.76 177.60 3d7j s TRP 125 N 0.87 0.26 0.06 0.00 -2.14 -1.26 -1.52 118.94 115.20 3d7j s TRP 125 Ca -0.06 -0.61 -0.06 0.00 2.66 0.00 0.00 56.10 58.03 3d7j s TRP 125 Cb -0.06 0.11 -0.01 0.00 -3.10 0.00 0.00 33.47 30.40 3d7j s TRP 125 CO -0.07 -0.83 0.10 0.00 -2.66 0.00 0.00 176.95 173.50 3d7j s ALA 126 N -3.95 -0.01 0.07 2.67 0.00 0.28 -4.97 121.76 115.85 3d7j s ALA 126 Ca 0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 3d7j s ALA 126 Cb 0.01 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3d7j s ALA 126 CO 0.01 -0.39 0.12 -1.54 0.00 0.00 0.00 175.76 173.96 3d7j s SER 127 N -2.54 0.22 -0.03 0.00 1.04 -1.26 -0.48 113.70 110.65 3d7j s SER 127 Ca 0.01 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.71 3d7j s SER 127 Cb 0.03 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3d7j s SER 127 CO -0.08 -0.68 -0.02 -0.47 0.98 0.00 0.00 173.24 172.98 3d7j s TYR 128 N -3.77 0.47 -0.06 5.02 5.04 -0.10 -4.94 117.35 119.01 3d7j s TYR 128 Ca 0.05 -0.08 0.06 0.00 -2.44 0.00 0.00 57.07 54.65 3d7j s TYR 128 Cb 0.05 -0.49 -0.01 0.00 0.35 0.00 0.00 41.96 41.86 3d7j s TYR 128 CO -0.10 -0.14 -0.24 -2.00 -1.34 0.00 0.00 175.55 171.73 3d7j s GLU 129 N 0.91 2.64 0.07 4.97 2.12 -1.26 -0.97 118.70 127.17 3d7j s GLU 129 Ca -0.10 -0.89 -0.06 0.00 0.36 0.00 0.00 54.97 54.28 3d7j s GLU 129 Cb -0.13 -2.21 -0.01 0.00 0.26 0.00 0.00 34.13 32.04 3d7j s GLU 129 CO -0.01 0.36 0.12 -0.98 -0.54 0.00 0.00 175.26 174.21 3d7j s ARG 130 N -0.11 0.73 0.60 4.30 1.70 -0.34 -5.02 118.95 120.81 3d7j s ARG 130 Ca -0.05 -0.96 -0.12 0.00 -0.47 0.00 0.00 55.73 54.13 3d7j s ARG 130 Cb -0.14 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 3d7j s ARG 130 CO 0.04 -0.20 1.02 0.00 -1.08 0.00 0.00 175.30 175.09 3d7j s ALA 131 N -3.53 3.06 -1.92 7.88 0.00 -1.26 -1.26 121.76 124.73 3d7j s ALA 131 Ca 0.03 -0.02 0.15 0.00 0.00 0.00 0.00 51.96 52.12 3d7j s ALA 131 Cb 0.04 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.18 3d7j s ALA 131 CO -0.09 -0.64 0.99 -0.11 0.00 0.00 0.00 175.76 175.90