#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 -0.70 -4.06 0.66 -0.00 -1.26 -5.27 115.22 104.59 3d7j n HIS 0 Ca 0.00 -0.35 -0.11 0.00 -0.00 0.00 0.00 57.72 57.26 3d7j n HIS 0 Cb 0.00 0.10 -0.11 0.00 -0.00 0.00 0.00 29.99 29.98 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 -5.27 0.57 0.08 -1.40 0.40 0.90 -4.74 117.98 108.51 3d7j s PHE 2 Ca 0.04 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 3d7j s PHE 2 Cb -0.00 -0.36 0.01 0.00 0.51 0.00 0.00 43.02 43.19 3d7j s PHE 2 CO 0.03 -0.15 0.27 -1.54 0.70 0.00 0.00 175.22 174.53 3d7j s SER 3 N -1.87 -0.04 0.06 1.36 1.04 -1.26 -0.57 113.70 112.42 3d7j s SER 3 Ca -0.07 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.00 3d7j s SER 3 Cb -0.06 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3d7j s SER 3 CO -0.02 -0.70 -0.12 0.27 0.98 0.00 0.00 173.24 173.65 3d7j s ILE 4 N -3.29 0.96 -0.03 -1.02 -5.25 -0.48 -4.98 121.20 107.10 3d7j s ILE 4 Ca 0.00 -1.20 0.03 0.00 -0.99 0.00 0.00 60.65 58.49 3d7j s ILE 4 Cb 0.02 -0.94 0.00 0.00 2.95 0.00 0.00 42.46 44.49 3d7j s ILE 4 CO -0.08 -0.23 -0.11 -0.89 -1.79 0.00 0.00 174.94 171.84 3d7j s THR 5 N -1.23 0.95 0.08 8.37 2.01 -1.26 -0.54 115.64 124.02 3d7j s THR 5 Ca -0.04 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.60 3d7j s THR 5 Cb -0.10 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 3d7j s THR 5 CO 0.02 0.29 -0.23 0.68 -0.69 0.00 0.00 174.62 174.69 3d7j s VAL 6 N 0.20 1.89 -0.12 3.82 -7.23 -0.62 -4.96 120.40 113.38 3d7j s VAL 6 Ca -0.04 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3d7j s VAL 6 Cb -0.10 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3d7j s VAL 6 CO 0.01 0.14 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.17 3d7j s ARG 7 N -1.57 3.26 0.00 4.82 3.52 -1.26 -0.76 118.95 126.95 3d7j s ARG 7 Ca 0.09 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3d7j s ARG 7 Cb -0.10 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 3d7j s ARG 7 CO 0.03 0.19 0.00 -3.47 -0.81 0.00 0.00 175.30 171.25 3d7j n ASP 8 N 3.55 1.09 -3.49 -2.12 -0.08 0.53 -4.97 116.55 111.06 3d7j n ASP 8 Ca -0.18 -0.89 -0.13 0.00 -1.51 0.00 0.00 54.79 52.07 3d7j n ASP 8 Cb 0.53 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.29 -0.50 0.00 -0.67 -3.43 -1.26 -0.19 115.29 107.96 3d7j s HIS 9 Ca 0.00 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 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 0.00 -0.76 0.00 0.44 -2.00 0.00 0.00 174.74 172.42 3d7j n ILE 10 N -0.03 0.00 0.00 -5.38 -5.35 -0.36 -4.94 119.36 103.30 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 0.63 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 -4.23 7.28 -6.64 -0.57 -0.95 119.36 114.25 3d7j n ILE 12 Ca 0.00 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.69 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 3.00 -0.04 -1.28 0.00 -0.26 -1.16 121.76 120.04 3d7j s ALA 13 Ca 0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 51.96 50.35 3d7j s ALA 13 Cb 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 23.12 22.34 3d7j s ALA 13 CO 0.00 0.59 1.15 -3.38 0.00 0.00 0.00 175.76 174.12 3d7j s HIS 14 N -1.39 -0.13 0.16 0.00 -3.43 0.03 -0.52 115.29 110.00 3d7j s HIS 14 Ca 0.23 -0.00 0.04 0.00 -0.80 0.00 0.00 55.06 54.53 3d7j s HIS 14 Cb -0.10 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.55 3d7j s HIS 14 CO 0.15 -0.39 -0.08 -1.54 -2.00 0.00 0.00 174.74 170.88 3d7j s SER 15 N -2.66 1.74 0.13 7.38 1.04 -1.26 -0.88 113.70 119.17 3d7j s SER 15 Ca 0.11 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 55.57 3d7j s SER 15 Cb 0.01 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 3d7j s SER 15 CO -0.04 -0.37 -0.08 -0.36 0.98 0.00 0.00 173.24 173.37 3d7j s PHE 16 N -3.37 2.75 -0.23 5.02 2.99 -0.23 -4.71 117.98 120.20 3d7j s PHE 16 Ca 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 56.93 56.87 3d7j s PHE 16 Cb 0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 43.02 41.61 3d7j s PHE 16 CO 0.01 0.46 0.10 0.50 -0.00 0.00 0.00 175.22 176.29 3d7j s ARG 17 N -2.43 3.85 0.00 0.44 3.52 -1.26 -4.16 118.95 118.92 3d7j s ARG 17 Ca 0.23 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3d7j s ARG 17 Cb -0.10 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 3d7j s ARG 17 CO 0.15 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 3d7j n GLY 18 N 4.47 4.12 0.39 8.12 0.00 -1.26 -4.90 105.19 116.12 3d7j n GLY 18 Ca -0.16 -1.08 0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 0.02 -0.29 1.61 3.58 -1.94 -1.29 116.42 118.10 3d7j h ASP 19 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 3d7j h ASP 19 Cb 0.00 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3d7j h ASP 19 CO 0.00 0.01 0.25 1.62 -2.88 0.00 0.00 179.24 178.24 3d7j h VAL 20 N 0.03 0.64 0.00 2.25 3.04 -2.00 -1.47 116.25 118.73 3d7j h VAL 20 Ca 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.96 3d7j h VAL 20 Cb 1.06 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3d7j h VAL 20 CO -0.01 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.04 3d7j n PHE 21 N -4.12 0.00 0.00 3.17 3.72 -0.49 -4.97 117.46 114.77 3d7j n PHE 21 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3d7j n PHE 21 Cb 0.41 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 1.45 3.58 0.19 1.37 0.00 -0.56 -1.31 105.19 109.91 3d7j n GLY 22 Ca 0.07 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.77 132.00 130.04 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 -1.87 2.36 0.26 -0.56 0.00 -0.43 -1.80 120.51 118.47 3d7j n ALA 24 Ca 0.01 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.46 3d7j n ALA 24 Cb 0.19 -1.34 0.63 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 -7.16 0.00 4.20 -1.46 -0.59 115.11 110.11 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 0.00 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.82 3d7j h GLN 25 CO 0.00 0.10 0.38 1.03 -0.67 0.00 0.00 178.83 179.66 3d7j s ARG 26 N -3.75 3.65 -0.04 1.46 0.52 -0.74 -4.21 118.95 115.84 3d7j s ARG 26 Ca 0.00 1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 56.08 3d7j s ARG 26 Cb 0.10 -2.08 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 3d7j s ARG 26 CO 0.58 -0.53 1.80 -1.17 0.02 0.00 0.00 175.30 175.99 3d7j s LEU 27 N -4.07 4.30 0.00 2.53 2.96 -1.26 -4.42 118.68 118.72 3d7j s LEU 27 Ca 0.63 2.35 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 3d7j s LEU 27 Cb -0.14 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3d7j s LEU 27 CO 0.30 -1.04 0.00 0.00 -1.32 0.00 0.00 176.35 174.29 3d7j n HIS 28 N 7.58 0.00 -3.61 5.38 1.44 -0.06 -4.97 115.22 120.98 3d7j n HIS 28 Ca 0.19 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.88 3d7j n HIS 28 Cb 0.42 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.55 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 1.07 3.49 -1.39 0.00 -1.26 -0.79 105.19 106.31 3d7j n GLY 29 Ca 0.00 -1.07 -0.13 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 -1.55 -1.74 -0.18 4.61 0.00 -0.30 -4.94 121.76 117.65 3d7j s ALA 30 Ca 0.11 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 3d7j s ALA 30 Cb -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 3d7j s ALA 30 CO 0.04 -0.57 0.20 0.99 0.00 0.00 0.00 175.76 176.42 3d7j s THR 31 N -2.47 5.36 -0.20 0.00 2.01 -1.26 -1.52 115.64 117.56 3d7j s THR 31 Ca -0.02 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 3d7j s THR 31 Cb -0.01 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 3d7j s THR 31 CO -0.03 0.41 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.87 3d7j s PHE 32 N 0.43 2.91 0.10 4.92 0.08 -0.12 -4.29 117.98 122.01 3d7j s PHE 32 Ca 0.12 -0.99 -0.30 0.00 0.12 0.00 0.00 56.93 55.88 3d7j s PHE 32 Cb -0.12 -2.04 -0.06 0.00 -0.57 0.00 0.00 43.02 40.23 3d7j s PHE 32 CO 0.01 -0.53 1.15 -0.51 -0.10 0.00 0.00 175.22 175.24 3d7j s LEU 33 N 1.26 4.41 -0.27 -0.37 1.43 -0.54 -1.22 118.68 123.38 3d7j s LEU 33 Ca 0.03 2.03 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 3d7j s LEU 33 Cb -0.14 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.53 3d7j s LEU 33 CO -0.03 -0.37 -0.05 -0.69 0.23 0.00 0.00 176.35 175.43 3d7j s VAL 34 N 0.57 2.70 -0.23 -1.59 1.01 0.74 -1.08 120.40 122.52 3d7j s VAL 34 Ca 0.55 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 3d7j s VAL 34 Cb -0.29 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3d7j s VAL 34 CO 0.31 0.02 0.04 -1.81 0.00 0.00 0.00 175.10 173.66 3d7j s ASP 35 N 1.23 5.00 -0.25 3.32 1.01 0.18 -0.35 116.67 126.81 3d7j s ASP 35 Ca -0.05 -0.21 -0.06 0.00 0.71 0.00 0.00 52.55 52.94 3d7j s ASP 35 Cb -0.19 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 3d7j s ASP 35 CO -0.03 0.00 0.03 0.00 0.21 0.00 0.00 175.17 175.38 3d7j s ALA 36 N 1.40 3.03 -0.17 5.23 0.00 0.06 -0.89 121.76 130.42 3d7j s ALA 36 Ca 0.05 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 3d7j s ALA 36 Cb -0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 3d7j s ALA 36 CO 0.02 -0.54 0.02 0.99 0.00 0.00 0.00 175.76 176.25 3d7j s THR 37 N 1.55 4.38 -0.10 0.00 2.01 0.67 -1.59 115.64 122.56 3d7j s THR 37 Ca 0.06 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3d7j s THR 37 Cb -0.15 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 3d7j s THR 37 CO 0.01 0.48 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.89 3d7j s PHE 38 N 0.29 2.68 0.09 4.92 0.08 0.30 -1.02 117.98 125.32 3d7j s PHE 38 Ca 0.00 -0.72 0.09 0.00 0.12 0.00 0.00 56.93 56.42 3d7j s PHE 38 Cb -0.13 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3d7j s PHE 38 CO 0.01 -0.23 -0.23 -0.98 -0.10 0.00 0.00 175.22 173.69 3d7j s ARG 39 N 0.18 1.29 -0.02 0.44 1.70 -0.53 -1.39 118.95 120.62 3d7j s ARG 39 Ca -0.10 -1.17 -0.13 0.00 -0.47 0.00 0.00 55.73 53.87 3d7j s ARG 39 Cb -0.16 -1.59 0.02 0.00 -0.57 0.00 0.00 34.95 32.65 3d7j s ARG 39 CO 0.06 0.38 0.27 0.50 -1.08 0.00 0.00 175.30 175.43 3d7j s ARG 40 N -1.76 0.59 0.09 3.89 3.52 0.27 -0.38 118.95 125.17 3d7j s ARG 40 Ca 0.09 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3d7j s ARG 40 Cb -0.10 0.26 -0.23 0.00 -1.56 0.00 0.00 34.95 33.32 3d7j s ARG 40 CO 0.04 -0.15 1.19 0.93 -0.81 0.00 0.00 175.30 176.50 3d7j h GLU 41 N 4.18 0.07 -4.36 5.12 5.08 -1.84 0.26 114.58 123.09 3d7j h GLU 41 Ca -0.29 -0.13 -0.30 0.00 -1.00 0.00 0.00 59.36 57.63 3d7j h GLU 41 Cb 1.18 0.05 -0.26 0.00 0.50 0.00 0.00 28.75 30.22 3d7j h GLU 41 CO 0.39 1.03 -0.75 -0.65 -1.00 0.00 0.00 179.01 178.03 3d7j s GLN 42 N -2.69 0.44 0.55 2.33 -1.52 -1.26 -4.60 119.66 112.92 3d7j s GLN 42 Ca -0.01 -0.36 -0.20 0.00 -1.95 0.00 0.00 55.36 52.84 3d7j s GLN 42 Cb 0.09 -0.35 -0.05 0.00 -0.22 0.00 0.00 33.01 32.48 3d7j s GLN 42 CO 0.84 0.09 1.24 -0.51 -0.25 0.00 0.00 175.29 176.70 3d7j s LEU 43 N -0.57 3.79 0.00 2.90 1.43 -1.26 -4.93 118.68 120.03 3d7j s LEU 43 Ca -0.02 2.48 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3d7j s LEU 43 Cb -0.04 -4.44 0.15 0.00 0.03 0.00 0.00 46.19 41.89 3d7j s LEU 43 CO -0.00 -1.46 0.82 -0.90 0.23 0.00 0.00 176.35 175.04 3d7j n ASP 44 N -1.22 -0.19 0.06 2.29 5.68 -0.18 -4.81 116.55 118.17 3d7j n ASP 44 Ca 0.12 -1.25 0.09 0.00 -0.50 0.00 0.00 54.79 53.25 3d7j n ASP 44 Cb 0.48 -0.64 0.39 0.00 -1.14 0.00 0.00 41.12 40.20 3d7j n ASP 44 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3d7j n GLU 45 N -2.91 0.08 -0.07 0.11 0.28 -1.26 -0.57 120.64 116.31 3d7j n GLU 45 Ca 0.10 0.33 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 3d7j n GLU 45 Cb 0.37 -1.66 0.34 0.00 1.43 0.00 0.00 31.44 31.92 3d7j n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3d7j n ASP 46 N -1.82 2.16 -1.32 -1.84 8.00 -1.26 -4.95 116.55 115.51 3d7j n ASP 46 Ca 0.03 -1.75 -0.09 0.00 0.71 0.00 0.00 54.79 53.68 3d7j n ASP 46 Cb 0.19 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.66 -3.36 -4.28 -2.24 5.15 0.26 -5.05 115.26 106.41 3d7j n ASN 47 Ca 0.17 -0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 53.90 3d7j n ASN 47 Cb 0.43 -2.32 -0.10 0.00 -0.53 0.00 0.00 39.78 37.26 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 -2.74 0.69 -0.12 -1.44 -4.36 -1.26 -4.82 121.20 107.15 3d7j s ILE 48 Ca 0.11 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.22 3d7j s ILE 48 Cb -0.05 -2.32 -0.24 0.00 1.25 0.00 0.00 42.46 41.09 3d7j s ILE 48 CO 0.13 -0.30 0.82 0.58 0.24 0.00 0.00 174.94 176.42 3d7j h VAL 49 N 2.56 1.69 -2.31 8.37 2.07 -1.95 -0.46 116.25 126.22 3d7j h VAL 49 Ca -0.37 -2.14 -0.08 0.00 0.82 0.00 0.00 66.70 64.93 3d7j h VAL 49 Cb 1.22 3.12 -0.19 0.00 -1.52 0.00 0.00 31.29 33.92 3d7j h VAL 49 CO 0.62 0.55 0.05 0.54 0.02 0.00 0.00 177.57 179.35 3d7j s VAL 50 N -2.50 0.02 -0.41 2.57 0.11 -1.26 -4.79 120.40 114.14 3d7j s VAL 50 Ca -0.18 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 3d7j s VAL 50 Cb -0.02 -0.88 -0.09 0.00 -1.53 0.00 0.00 36.38 33.86 3d7j s VAL 50 CO 0.67 -0.08 2.32 -0.67 -3.33 0.00 0.00 175.10 174.01 3d7j n ASP 51 N 1.03 2.40 -0.01 3.54 -0.08 -1.26 -4.86 116.55 117.31 3d7j n ASP 51 Ca -0.20 0.01 0.05 0.00 -1.51 0.00 0.00 54.79 53.15 3d7j n ASP 51 Cb 0.57 -1.44 0.44 0.00 2.34 0.00 0.00 41.12 43.03 3d7j n ASP 51 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3d7j h ILE 52 N 7.40 1.07 -0.45 5.18 2.04 -1.98 0.23 117.51 131.00 3d7j h ILE 52 Ca -0.29 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3d7j h ILE 52 Cb 1.28 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3d7j h ILE 52 CO 1.08 0.09 0.23 1.23 0.00 0.00 0.00 178.15 180.78 3d7j h GLY 53 N 0.52 0.68 1.18 5.37 0.00 -1.99 0.17 103.07 108.99 3d7j h GLY 53 Ca 0.17 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 3d7j h GLY 53 CO -0.04 0.31 -0.47 1.41 0.00 0.00 0.00 176.54 177.75 3d7j h LEU 54 N 0.58 0.96 -0.14 3.11 3.38 -1.73 -1.49 115.31 119.98 3d7j h LEU 54 Ca 0.15 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3d7j h LEU 54 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3d7j h LEU 54 CO -0.02 1.27 0.02 0.00 0.09 0.00 0.00 178.44 179.79 3d7j h ALA 55 N 0.77 0.13 -0.43 1.53 0.00 -0.25 0.23 119.26 121.23 3d7j h ALA 55 Ca 0.04 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3d7j h ALA 55 Cb 1.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3d7j h ALA 55 CO 0.11 -0.43 -0.25 1.79 0.00 0.00 0.00 179.25 180.46 3d7j h THR 56 N 0.07 1.27 -0.09 0.00 1.35 -0.72 -0.26 112.91 114.54 3d7j h THR 56 Ca 0.06 -1.41 0.03 0.00 -0.55 0.00 0.00 66.41 64.54 3d7j h THR 56 Cb 0.06 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 3d7j h THR 56 CO -0.09 0.48 -0.09 -0.61 -0.25 0.00 0.00 175.52 174.96 3d7j h GLN 57 N 0.76 -0.11 -0.14 4.72 4.15 -1.03 -0.21 115.11 123.25 3d7j h GLN 57 Ca 0.09 0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.32 3d7j h GLN 57 Cb 0.83 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3d7j h GLN 57 CO 0.07 -0.08 -0.71 0.93 -1.93 0.00 0.00 178.83 177.12 3d7j h GLU 58 N -0.12 0.60 -0.65 1.69 4.39 -0.47 0.41 114.58 120.44 3d7j h GLU 58 Ca 0.07 -0.47 0.03 0.00 0.34 0.00 0.00 59.36 59.33 3d7j h GLU 58 Cb 0.22 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 3d7j h GLU 58 CO -0.16 1.09 0.40 1.25 -1.16 0.00 0.00 179.01 180.43 3d7j h LEU 59 N 0.42 0.66 -0.86 1.33 5.85 -1.02 -1.44 115.31 120.25 3d7j h LEU 59 Ca -0.03 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3d7j h LEU 59 Cb 1.30 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3d7j h LEU 59 CO 0.13 0.46 0.56 1.23 -0.34 0.00 0.00 178.44 180.49 3d7j h GLY 60 N 0.79 1.22 1.03 3.75 0.00 -0.51 -0.55 103.07 108.81 3d7j h GLY 60 Ca 0.26 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3d7j h GLY 60 CO -0.10 0.46 0.45 0.00 0.00 0.00 0.00 176.54 177.35 3d7j h ALA 61 N 1.31 1.10 0.10 3.60 0.00 -0.46 0.50 119.26 125.41 3d7j h ALA 61 Ca 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d7j h ALA 61 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.33 3d7j h ALA 61 CO -0.07 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 180.05 3d7j h VAL 62 N 1.21 1.12 0.00 0.00 2.07 -0.63 -3.28 116.25 116.74 3d7j h VAL 62 Ca 0.30 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 3d7j h VAL 62 Cb 0.06 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3d7j h VAL 62 CO -0.04 0.23 -0.27 -0.37 0.02 0.00 0.00 177.57 177.13 3d7j h VAL 63 N -0.60 0.55 -0.08 2.57 -1.51 -1.09 -2.93 116.25 113.16 3d7j h VAL 63 Ca -0.01 -1.44 0.02 0.00 -1.23 0.00 0.00 66.70 64.04 3d7j h VAL 63 Cb 0.48 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3d7j h VAL 63 CO 0.02 0.27 0.08 1.23 -1.23 0.00 0.00 177.57 177.94 3d7j h GLY 64 N 2.84 0.00 2.00 5.19 0.00 -0.95 0.29 103.07 112.43 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 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.57 3d7j n ALA 65 N -2.37 2.33 -0.04 3.60 0.00 -1.11 -3.67 120.51 119.25 3d7j n ALA 65 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 3d7j n ALA 65 Cb 0.18 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.58 0.00 -4.76 0.00 4.77 -0.06 -5.02 117.00 110.35 3d7j n LEU 66 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3d7j n LEU 66 Cb 0.35 0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3d7j n LEU 66 CO 0.27 0.19 0.93 0.21 -1.33 0.00 0.00 177.39 177.67 3d7j s ASN 67 N -4.12 5.79 -1.45 -1.43 2.47 -0.32 -3.15 114.94 112.72 3d7j s ASN 67 Ca -0.05 2.60 -0.12 0.00 0.42 0.00 0.00 52.86 55.71 3d7j s ASN 67 Cb 0.05 -2.63 0.05 0.00 -1.45 0.00 0.00 41.25 37.28 3d7j s ASN 67 CO 0.51 -1.20 1.08 -1.22 -3.72 0.00 0.00 177.10 172.54 3d7j n TYR 68 N -0.60 -2.58 -4.25 0.43 4.01 -1.26 -4.99 117.16 107.92 3d7j n TYR 68 Ca 0.08 0.96 -0.21 0.00 -0.16 0.00 0.00 57.90 58.57 3d7j n TYR 68 Cb 0.46 -4.48 -0.12 0.00 -0.31 0.00 0.00 39.34 34.89 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 -6.48 1.04 -0.49 -0.72 0.52 -1.19 -5.03 118.95 106.60 3d7j s ARG 69 Ca 0.63 -1.15 -0.22 0.00 -0.52 0.00 0.00 55.73 54.47 3d7j s ARG 69 Cb -0.30 -1.14 0.04 0.00 0.52 0.00 0.00 34.95 34.07 3d7j s ARG 69 CO 0.78 0.25 0.75 1.21 0.02 0.00 0.00 175.30 178.31 3d7j s ASN 70 N -2.07 6.32 0.51 0.23 2.47 -1.26 -1.10 114.94 120.05 3d7j s ASN 70 Ca 0.06 -0.45 0.33 0.00 0.42 0.00 0.00 52.86 53.22 3d7j s ASN 70 Cb -0.08 -2.36 1.42 0.00 -1.45 0.00 0.00 41.25 38.78 3d7j s ASN 70 CO 0.04 -0.97 1.98 -0.07 -3.72 0.00 0.00 177.10 174.36 3d7j h LEU 71 N 10.15 0.00 -2.19 3.21 3.38 -1.18 -1.72 115.31 126.96 3d7j h LEU 71 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 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 0.98 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.95 3d7j h ASP 72 N 0.00 0.00 -0.26 -0.43 5.19 -1.93 -2.51 116.42 116.48 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 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 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 -3.02 3.12 -4.58 6.45 3.02 -0.65 -4.93 115.26 114.67 3d7j n ASN 73 Ca -0.01 -1.92 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 3d7j n ASN 73 Cb 0.18 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.46 3.78 0.50 3.52 0.41 -0.95 -4.95 118.70 119.56 3d7j s GLU 74 Ca 0.32 0.13 0.24 0.00 -0.41 0.00 0.00 54.97 55.25 3d7j s GLU 74 Cb 0.19 -3.77 1.32 0.00 -1.78 0.00 0.00 34.13 30.09 3d7j s GLU 74 CO 0.27 -0.63 1.94 -1.35 -0.49 0.00 0.00 175.26 175.01 3d7j h PRO 75 N 8.32 0.12 -0.02 0.39 0.11 -1.92 -1.00 132.00 138.01 3d7j h PRO 75 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3d7j h PRO 75 Cb 1.12 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d7j h PRO 75 CO 0.80 0.08 0.02 -0.44 -0.21 0.00 0.00 178.00 178.25 3d7j h ASP 76 N 0.12 0.00 -0.14 -2.05 3.32 -1.94 -2.55 116.42 113.17 3d7j h ASP 76 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3d7j h ASP 76 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3d7j h ASP 76 CO -0.04 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.97 3d7j n PHE 77 N -3.74 0.28 -1.65 4.55 0.99 -0.39 -5.03 117.46 112.47 3d7j n PHE 77 Ca -0.03 -0.64 -0.50 0.00 -0.00 0.00 0.00 57.45 56.29 3d7j n PHE 77 Cb 0.10 -0.10 -0.05 0.00 -1.00 0.00 0.00 39.48 38.43 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 -0.35 0.26 -0.96 4.37 0.00 -0.96 -1.27 120.51 121.60 3d7j n ALA 78 Ca 0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3d7j n ALA 78 Cb 0.46 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 3.35 0.48 3.36 0.00 0.00 -1.26 -5.01 105.19 106.11 3d7j n GLY 79 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.20 2.61 -0.19 1.61 1.01 -0.40 -5.09 120.40 117.75 3d7j s VAL 80 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3d7j s VAL 80 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3d7j s VAL 80 CO 0.00 0.57 1.51 0.20 0.00 0.00 0.00 175.10 177.37 3d7j s ASN 81 N -0.21 6.59 -1.35 3.32 0.01 -1.26 -4.93 114.94 117.11 3d7j s ASN 81 Ca -0.01 1.69 -0.07 0.00 -0.71 0.00 0.00 52.86 53.76 3d7j s ASN 81 Cb -0.13 -2.53 0.11 0.00 0.41 0.00 0.00 41.25 39.10 3d7j s ASN 81 CO 0.03 -1.07 2.31 0.35 -1.51 0.00 0.00 177.10 177.21 3d7j n THR 82 N 6.00 4.85 -1.11 1.60 -2.24 -1.26 -4.86 114.28 117.26 3d7j n THR 82 Ca 0.17 -4.11 -0.31 0.00 -2.27 0.00 0.00 64.05 57.53 3d7j n THR 82 Cb 0.45 -2.23 0.12 0.00 -2.10 0.00 0.00 70.33 66.57 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 0.79 3.90 0.21 3.42 1.04 -1.26 -4.75 113.70 117.04 3d7j s SER 83 Ca 0.52 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.69 3d7j s SER 83 Cb 0.16 -2.47 0.23 0.00 0.10 0.00 0.00 66.02 64.04 3d7j s SER 83 CO -0.06 -2.43 1.80 0.74 0.98 0.00 0.00 173.24 174.27 3d7j h THR 84 N -1.40 0.96 -0.44 2.02 2.02 -1.98 -0.68 112.91 113.41 3d7j h THR 84 Ca -0.45 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 3d7j h THR 84 Cb 1.25 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3d7j h THR 84 CO 0.50 0.12 -0.16 1.05 0.37 0.00 0.00 175.52 177.40 3d7j h GLU 85 N 0.66 0.84 -0.23 6.66 9.09 -1.92 -1.26 114.58 128.43 3d7j h GLU 85 Ca 0.29 -0.31 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 3d7j h GLU 85 Cb 0.19 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 3d7j h GLU 85 CO -0.18 0.95 0.12 0.35 0.05 0.00 0.00 179.01 180.29 3d7j h PHE 86 N 0.75 0.32 -0.20 2.06 3.57 -1.76 -2.82 116.94 118.87 3d7j h PHE 86 Ca 0.11 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3d7j h PHE 86 Cb 0.68 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3d7j h PHE 86 CO 0.04 0.30 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.26 3d7j h LEU 87 N 0.24 0.29 -0.66 0.59 3.38 -0.93 -1.21 115.31 117.01 3d7j h LEU 87 Ca 0.08 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3d7j h LEU 87 Cb 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3d7j h LEU 87 CO -0.01 0.42 0.38 0.00 0.09 0.00 0.00 178.44 179.32 3d7j h ALA 88 N 1.62 0.87 -0.48 1.53 0.00 -1.08 -1.06 119.26 120.65 3d7j h ALA 88 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3d7j h ALA 88 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3d7j h ALA 88 CO 0.02 0.09 0.01 -0.22 0.00 0.00 0.00 179.25 179.15 3d7j h LYS 89 N 0.72 0.84 -0.35 0.00 3.64 -1.14 -0.27 116.57 120.02 3d7j h LYS 89 Ca 0.28 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3d7j h LYS 89 Cb 0.12 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3d7j h LYS 89 CO -0.15 0.88 0.09 0.28 -2.27 0.00 0.00 179.45 178.28 3d7j h VAL 90 N 0.70 0.86 -0.47 2.00 2.07 -0.82 0.95 116.25 121.54 3d7j h VAL 90 Ca 0.14 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 3d7j h VAL 90 Cb 0.49 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3d7j h VAL 90 CO 0.02 0.04 -0.20 0.40 0.02 0.00 0.00 177.57 177.85 3d7j h ILE 91 N 0.23 1.27 -0.55 4.57 2.04 -1.12 -1.84 117.51 122.11 3d7j h ILE 91 Ca 0.16 -1.36 0.03 0.00 1.00 0.00 0.00 64.86 64.69 3d7j h ILE 91 Cb 0.16 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3d7j h ILE 91 CO -0.19 0.47 0.33 0.00 0.00 0.00 0.00 178.15 178.75 3d7j h ALA 92 N 0.86 0.71 -0.51 1.87 0.00 -0.62 -0.95 119.26 120.62 3d7j h ALA 92 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3d7j h ALA 92 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3d7j h ALA 92 CO 0.06 0.03 -0.15 -0.44 0.00 0.00 0.00 179.25 178.76 3d7j h ASP 93 N 0.64 0.99 -0.14 0.00 3.32 -0.67 0.46 116.42 121.01 3d7j h ASP 93 Ca 0.23 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 3d7j h ASP 93 Cb 0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3d7j h ASP 93 CO -0.11 1.13 -0.35 0.03 -1.72 0.00 0.00 179.24 178.22 3d7j h ARG 94 N 0.86 0.65 -0.58 3.56 3.08 -1.16 -1.29 114.38 119.50 3d7j h ARG 94 Ca 0.13 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3d7j h ARG 94 Cb 0.71 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3d7j h ARG 94 CO 0.05 0.91 0.14 -0.07 -1.07 0.00 0.00 179.97 179.93 3d7j h LEU 95 N 0.55 0.89 -0.57 3.04 3.38 -1.02 -2.42 115.31 119.16 3d7j h LEU 95 Ca 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3d7j h LEU 95 Cb 0.86 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3d7j h LEU 95 CO 0.07 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.86 3d7j h ALA 96 N 1.03 0.73 -0.98 1.53 0.00 -0.54 -0.57 119.26 120.46 3d7j h ALA 96 Ca 0.18 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3d7j h ALA 96 Cb 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3d7j h ALA 96 CO 0.00 0.12 0.65 0.93 0.00 0.00 0.00 179.25 180.95 3d7j h GLU 97 N 0.73 1.23 -0.67 0.00 4.39 -1.12 -0.54 114.58 118.60 3d7j h GLU 97 Ca 0.22 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 3d7j h GLU 97 Cb -0.04 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 3d7j h GLU 97 CO -0.07 0.82 0.22 0.00 -1.16 0.00 0.00 179.01 178.82 3d7j h ARG 98 N 1.27 1.02 -0.22 2.33 3.08 -0.89 -1.26 114.38 119.71 3d7j h ARG 98 Ca 0.38 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3d7j h ARG 98 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3d7j h ARG 98 CO -0.11 0.86 0.13 0.28 -1.07 0.00 0.00 179.97 180.07 3d7j h VAL 99 N 0.99 1.07 0.00 2.04 2.07 -0.40 -0.86 116.25 121.17 3d7j h VAL 99 Ca 0.22 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3d7j h VAL 99 Cb 0.26 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3d7j h VAL 99 CO -0.01 0.07 -0.16 0.45 0.02 0.00 0.00 177.57 177.94 3d7j h HIS 100 N 0.27 0.00 -0.00 1.57 3.86 -0.75 -1.31 115.15 118.79 3d7j h HIS 100 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3d7j h HIS 100 Cb -0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3d7j h HIS 100 CO -0.05 0.16 -0.05 1.63 0.86 0.00 0.00 177.93 180.47 3d7j n LYS 101 N -4.33 0.55 -0.45 2.45 5.02 -0.51 -4.91 118.16 115.98 3d7j n LYS 101 Ca -0.03 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3d7j n LYS 101 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.28 0.76 0.29 0.72 0.00 -0.50 -4.97 105.19 102.77 3d7j n GLY 102 Ca 0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.51 4.61 0.00 -1.34 -1.16 119.26 121.86 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 -3.06 5.13 0.00 0.00 4.32 -1.26 -4.93 117.00 117.21 3d7j n LEU 104 Ca -0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 56.01 53.11 3d7j n LEU 104 Cb 0.24 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 3d7j n LEU 104 CO 0.25 0.67 0.00 0.61 -1.22 0.00 0.00 177.39 177.70 3d7j n GLY 105 N 0.42 0.19 0.32 -0.72 0.00 -0.44 -4.11 105.19 100.84 3d7j n GLY 105 Ca 0.26 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 0.28 -0.49 1.61 5.08 -1.96 -1.38 114.58 117.72 3d7j h GLU 106 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3d7j h GLU 106 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3d7j h GLU 106 CO 0.00 0.19 0.33 0.78 -1.00 0.00 0.00 179.01 179.30 3d7j h GLY 107 N 0.29 0.68 2.00 -3.84 0.00 -1.97 -2.72 103.07 97.52 3d7j h GLY 107 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3d7j h GLY 107 CO -0.03 0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.75 3d7j n ALA 108 N -2.47 1.81 0.28 3.60 0.00 -0.52 -1.90 120.51 121.32 3d7j n ALA 108 Ca 0.04 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3d7j n ALA 108 Cb 0.07 -1.40 0.84 0.00 0.00 0.00 0.00 19.45 18.96 3d7j n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d7j h ARG 109 N 0.00 0.00 -0.10 0.00 2.47 -1.58 -1.96 114.38 113.21 3d7j h ARG 109 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3d7j h ARG 109 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3d7j h ARG 109 CO 0.00 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.98 3d7j n GLY 110 N -1.14 -0.17 3.76 0.04 0.00 -0.80 -4.92 105.19 101.96 3d7j n GLY 110 Ca -0.03 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.61 4.00 0.01 0.99 1.43 -0.74 -4.71 118.68 118.04 3d7j s LEU 111 Ca 0.32 2.85 0.12 0.00 -1.03 0.00 0.00 54.13 56.38 3d7j s LEU 111 Cb 0.16 -4.09 -0.21 0.00 0.03 0.00 0.00 46.19 42.09 3d7j s LEU 111 CO 0.25 -1.35 0.82 0.00 0.23 0.00 0.00 176.35 176.30 3d7j h ALA 112 N 1.94 0.68 -1.85 4.21 0.00 -1.06 -3.42 119.26 119.76 3d7j h ALA 112 Ca -0.51 -1.27 0.34 0.00 0.00 0.00 0.00 54.91 53.47 3d7j h ALA 112 Cb 1.28 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 3d7j h ALA 112 CO 0.59 1.43 0.88 0.20 0.00 0.00 0.00 179.25 182.36 3d7j s GLY 113 N -4.98 -0.24 0.09 0.00 0.00 -1.19 -1.47 107.32 99.53 3d7j s GLY 113 Ca -0.03 0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.91 3d7j s GLY 113 CO 0.82 3.57 0.15 0.48 0.00 0.00 0.00 173.10 178.12 3d7j s LEU 114 N -3.50 1.59 -0.02 0.66 0.05 -0.31 -1.45 118.68 115.69 3d7j s LEU 114 Ca 0.24 -0.75 0.02 0.00 0.05 0.00 0.00 54.13 53.68 3d7j s LEU 114 Cb 0.02 0.88 0.00 0.00 -2.05 0.00 0.00 46.19 45.04 3d7j s LEU 114 CO -0.02 -0.72 -0.06 -0.89 -0.55 0.00 0.00 176.35 174.11 3d7j s THR 115 N -3.89 0.53 -0.13 5.48 2.01 -0.19 -1.05 115.64 118.40 3d7j s THR 115 Ca 0.07 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3d7j s THR 115 Cb 0.05 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 3d7j s THR 115 CO -0.09 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.16 3d7j s VAL 116 N 0.17 2.70 -0.13 3.82 1.01 -0.21 -0.24 120.40 127.52 3d7j s VAL 116 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3d7j s VAL 116 Cb -0.06 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3d7j s VAL 116 CO -0.00 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.54 3d7j s THR 117 N 0.50 2.31 -0.16 3.92 2.01 -0.07 -0.67 115.64 123.47 3d7j s THR 117 Ca -0.11 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 3d7j s THR 117 Cb -0.16 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 3d7j s THR 117 CO 0.05 0.54 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.67 3d7j s LEU 118 N 0.57 2.83 -0.34 4.42 1.02 0.38 -0.65 118.68 126.92 3d7j s LEU 118 Ca -0.12 -0.32 -0.10 0.00 0.02 0.00 0.00 54.13 53.61 3d7j s LEU 118 Cb -0.16 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.38 3d7j s LEU 118 CO 0.04 0.11 0.18 -1.00 0.02 0.00 0.00 176.35 175.69 3d7j s HIS 119 N 0.69 3.20 -0.11 0.29 3.76 -0.24 -0.53 115.29 122.36 3d7j s HIS 119 Ca -0.05 -0.69 0.15 0.00 -0.15 0.00 0.00 55.06 54.32 3d7j s HIS 119 Cb -0.15 -2.39 -0.06 0.00 1.11 0.00 0.00 32.58 31.08 3d7j s HIS 119 CO 0.02 -0.52 1.14 1.49 -0.85 0.00 0.00 174.74 176.02 3d7j h GLU 120 N 8.39 0.00 0.00 1.40 4.81 -1.45 -1.45 114.58 126.28 3d7j h GLU 120 Ca -0.30 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3d7j h GLU 120 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3d7j h GLU 120 CO 0.64 0.47 0.10 -1.13 -0.73 0.00 0.00 179.01 178.35 3d7j n SER 121 N -3.09 -0.86 0.00 1.04 3.41 -1.12 -4.50 113.62 108.49 3d7j n SER 121 Ca -0.04 -1.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.09 3d7j n SER 121 Cb 0.82 1.44 0.63 0.00 -0.26 0.00 0.00 64.21 66.84 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 -0.20 0.00 -0.30 7.33 1.44 -1.26 -3.75 115.22 118.47 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 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 29.98 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 -1.36 0.23 -3.74 0.61 0.24 -1.26 -5.03 118.33 108.02 3d7j n VAL 123 Ca 0.10 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3d7j n VAL 123 Cb 0.24 1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.23 -0.61 0.06 2.33 0.00 -1.25 -5.12 121.76 116.94 3d7j s ALA 124 Ca 0.00 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 3d7j s ALA 124 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3d7j s ALA 124 CO 0.00 -0.18 0.24 1.67 0.00 0.00 0.00 175.76 177.49 3d7j s TRP 125 N 0.90 0.01 0.09 0.00 -2.14 -1.26 -1.50 118.94 115.04 3d7j s TRP 125 Ca -0.06 -0.25 0.02 0.00 2.66 0.00 0.00 56.10 58.47 3d7j s TRP 125 Cb -0.07 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.28 3d7j s TRP 125 CO -0.06 -0.49 -0.07 0.00 -2.66 0.00 0.00 176.95 173.67 3d7j s ALA 126 N -2.89 0.92 0.05 2.67 0.00 0.31 -4.99 121.76 117.83 3d7j s ALA 126 Ca -0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3d7j s ALA 126 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3d7j s ALA 126 CO -0.06 -0.18 0.07 -1.54 0.00 0.00 0.00 175.76 174.06 3d7j s SER 127 N -2.72 0.27 -0.05 0.00 1.04 -1.26 -0.47 113.70 110.51 3d7j s SER 127 Ca 0.07 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3d7j s SER 127 Cb 0.02 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.40 3d7j s SER 127 CO -0.03 -0.58 -0.02 -0.47 0.98 0.00 0.00 173.24 173.12 3d7j s TYR 128 N -3.25 0.64 -0.04 5.02 5.04 0.15 -4.94 117.35 119.96 3d7j s TYR 128 Ca 0.01 -0.15 0.03 0.00 -2.44 0.00 0.00 57.07 54.51 3d7j s TYR 128 Cb 0.03 -0.66 -0.03 0.00 0.35 0.00 0.00 41.96 41.65 3d7j s TYR 128 CO -0.08 -0.22 -0.12 -2.00 -1.34 0.00 0.00 175.55 171.79 3d7j s GLU 129 N 1.28 2.52 0.09 4.97 2.12 -1.26 -1.05 118.70 127.36 3d7j s GLU 129 Ca -0.06 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 3d7j s GLU 129 Cb -0.13 -2.41 0.01 0.00 0.26 0.00 0.00 34.13 31.85 3d7j s GLU 129 CO -0.02 0.62 0.27 -0.98 -0.54 0.00 0.00 175.26 174.61 3d7j s ARG 130 N -0.86 0.89 0.71 4.30 1.70 -0.22 -5.00 118.95 120.47 3d7j s ARG 130 Ca 0.12 -0.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.49 3d7j s ARG 130 Cb -0.11 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.66 3d7j s ARG 130 CO 0.02 -0.30 1.09 0.00 -1.08 0.00 0.00 175.30 175.03 3d7j s ALA 131 N -3.50 2.86 0.00 7.88 0.00 -1.26 -1.16 121.76 126.58 3d7j s ALA 131 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3d7j s ALA 131 Cb 0.03 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3d7j s ALA 131 CO -0.09 -1.15 0.36 1.28 0.00 0.00 0.00 175.76 176.16