#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh8 s HIS 901 N 0.00 2.53 0.55 7.33 5.04 -1.26 -5.01 115.29 124.47 3dh8 s HIS 901 Ca 0.00 -0.94 0.28 0.00 -1.54 0.00 0.00 55.06 52.86 3dh8 s HIS 901 Cb 0.00 -1.68 1.46 0.00 0.04 0.00 0.00 32.58 32.40 3dh8 s HIS 901 CO 0.00 -0.35 1.97 0.00 -2.34 0.00 0.00 174.74 174.02 3dh8 h MET 1 N 6.51 0.00 -0.01 2.88 -0.00 -2.02 -1.34 114.93 120.95 3dh8 h MET 1 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 3dh8 h MET 1 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 3dh8 h MET 1 CO 0.47 0.00 -0.01 1.28 -0.00 0.00 0.00 176.91 178.66 3dh8 n LEU 2 N -4.13 0.52 -3.80 -0.10 4.77 -1.26 -4.74 117.00 108.26 3dh8 n LEU 2 Ca 0.10 -0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.69 3dh8 n LEU 2 Cb 0.65 -0.02 -0.17 0.00 -2.33 0.00 0.00 43.42 41.55 3dh8 n LEU 2 CO 0.34 0.09 -0.39 -0.60 -1.33 0.00 0.00 177.39 175.49 3dh8 s ARG 3 N -2.04 0.79 -0.25 3.23 3.52 -0.51 -0.83 118.95 122.86 3dh8 s ARG 3 Ca 0.43 0.03 -0.18 0.00 -0.13 0.00 0.00 55.73 55.88 3dh8 s ARG 3 Cb 0.22 -1.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.51 3dh8 s ARG 3 CO 0.37 -0.28 0.51 -0.51 -0.81 0.00 0.00 175.30 174.58 3dh8 s LEU 4 N 1.83 4.07 -0.15 -0.88 1.43 0.52 -4.52 118.68 120.99 3dh8 s LEU 4 Ca 0.04 0.56 0.21 0.00 -1.03 0.00 0.00 54.13 53.90 3dh8 s LEU 4 Cb -0.12 -2.67 0.42 0.00 0.03 0.00 0.00 46.19 43.85 3dh8 s LEU 4 CO -0.05 -0.26 1.17 -1.54 0.23 0.00 0.00 176.35 175.90 3dh8 n SER 5 N 5.35 0.81 -4.51 2.29 3.41 -1.26 -0.85 113.62 118.87 3dh8 n SER 5 Ca -0.04 -2.03 -0.32 0.00 -0.26 0.00 0.00 58.87 56.21 3dh8 n SER 5 Cb 0.50 -0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 3dh8 n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh8 s ALA 6 N -1.62 2.75 0.70 7.33 0.00 -1.26 -4.92 121.76 124.74 3dh8 s ALA 6 Ca 0.25 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 3dh8 s ALA 6 Cb 0.33 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.50 3dh8 s ALA 6 CO -0.09 0.57 1.25 -1.25 0.00 0.00 0.00 175.76 176.24 3dh8 s PRO 7 N -1.07 2.27 0.00 0.00 0.04 -1.26 -4.77 135.00 130.21 3dh8 s PRO 7 Ca 0.14 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3dh8 s PRO 7 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3dh8 s PRO 7 CO 0.03 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.71 3dh8 n GLY 8 N 0.67 0.25 3.72 0.56 0.00 -0.40 -4.92 105.19 105.07 3dh8 n GLY 8 Ca 0.15 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3dh8 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dh8 s GLN 9 N 0.00 4.42 -0.12 1.61 0.74 -1.26 -0.35 119.66 124.70 3dh8 s GLN 9 Ca 0.00 1.83 0.06 0.00 0.05 0.00 0.00 55.36 57.30 3dh8 s GLN 9 Cb 0.00 -3.32 -0.12 0.00 1.10 0.00 0.00 33.01 30.67 3dh8 s GLN 9 CO 0.00 -0.26 -0.03 1.28 -0.55 0.00 0.00 175.29 175.73 3dh8 n LEU 10 N 3.74 1.31 -3.92 3.68 4.77 0.94 -4.89 117.00 122.63 3dh8 n LEU 10 Ca 0.09 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 3dh8 n LEU 10 Cb 0.46 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 3dh8 n LEU 10 CO 0.56 0.48 0.36 -0.62 -1.33 0.00 0.00 177.39 176.84 3dh8 s ASP 11 N -4.82 0.15 0.44 -1.43 -1.08 -0.90 -4.98 116.67 104.06 3dh8 s ASP 11 Ca -0.12 -1.08 0.17 0.00 -0.52 0.00 0.00 52.55 51.00 3dh8 s ASP 11 Cb 0.04 0.73 1.10 0.00 -1.46 0.00 0.00 42.92 43.34 3dh8 s ASP 11 CO 0.40 -1.43 1.93 -2.24 0.52 0.00 0.00 175.17 174.36 3dh8 h ASP 12 N 2.08 0.33 -0.26 -0.34 3.04 -2.03 -2.53 116.42 116.72 3dh8 h ASP 12 Ca -0.28 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 3dh8 h ASP 12 Cb 1.25 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3dh8 h ASP 12 CO 0.36 0.17 0.00 -0.90 -2.04 0.00 0.00 179.24 176.83 3dh8 n ASP 13 N -4.46 2.74 -3.74 4.15 5.75 -1.26 -4.96 116.55 114.78 3dh8 n ASP 13 Ca 0.14 -2.05 -0.15 0.00 -0.01 0.00 0.00 54.79 52.71 3dh8 n ASP 13 Cb 0.55 -0.19 -0.16 0.00 -1.03 0.00 0.00 41.12 40.29 3dh8 n ASP 13 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3dh8 s LEU 14 N -1.09 0.68 0.13 -2.12 2.96 -0.95 -1.16 118.68 117.12 3dh8 s LEU 14 Ca 0.19 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 3dh8 s LEU 14 Cb 0.10 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.86 3dh8 s LEU 14 CO 0.12 -0.17 -0.15 0.00 -1.32 0.00 0.00 176.35 174.83 3dh8 s LEU 16 N -2.43 3.78 -0.09 0.00 0.20 0.52 -1.08 118.68 119.58 3dh8 s LEU 16 Ca 0.09 -0.15 -0.06 0.00 0.69 0.00 0.00 54.13 54.71 3dh8 s LEU 16 Cb -0.05 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 3dh8 s LEU 16 CO 0.04 -0.06 0.15 -0.76 -0.29 0.00 0.00 176.35 175.43 3dh8 s LEU 17 N 1.68 4.38 0.00 -0.68 1.43 0.58 -1.28 118.68 124.81 3dh8 s LEU 17 Ca 0.07 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3dh8 s LEU 17 Cb -0.16 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3dh8 s LEU 17 CO 0.07 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.63 3dh8 n GLY 18 N 1.67 -1.21 3.74 -3.19 0.00 -1.26 -2.10 105.19 102.83 3dh8 n GLY 18 Ca -0.17 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3dh8 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dh8 s ASP 19 N -4.00 7.42 0.59 1.61 -1.08 -1.26 -4.74 116.67 115.21 3dh8 s ASP 19 Ca 0.00 1.70 0.38 0.00 -0.52 0.00 0.00 52.55 54.11 3dh8 s ASP 19 Cb 0.00 -2.55 1.83 0.00 -1.46 0.00 0.00 42.92 40.74 3dh8 s ASP 19 CO 0.00 -0.03 2.14 -0.37 0.52 0.00 0.00 175.17 177.44 3dh8 h VAL 20 N 4.01 0.00 0.00 1.11 -1.51 -1.91 -0.68 116.25 117.26 3dh8 h VAL 20 Ca -0.43 -0.26 -0.07 0.00 -1.23 0.00 0.00 66.70 64.71 3dh8 h VAL 20 Cb 1.21 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 3dh8 h VAL 20 CO 0.71 0.00 -0.31 1.56 -1.23 0.00 0.00 177.57 178.30 3dh8 h GLN 21 N 0.00 0.00 -1.69 5.19 4.20 -1.92 0.17 115.11 121.05 3dh8 h GLN 21 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 3dh8 h GLN 21 Cb 0.27 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.69 3dh8 h GLN 21 CO 0.00 0.31 -1.06 1.33 -0.67 0.00 0.00 178.83 178.74 3dh8 n VAL 22 N -3.81 -0.29 -2.10 -0.54 0.24 -0.34 -4.09 118.33 107.40 3dh8 n VAL 22 Ca -0.01 -3.95 -0.33 0.00 -2.04 0.00 0.00 64.34 58.01 3dh8 n VAL 22 Cb 0.40 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3dh8 n VAL 22 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3dh8 s PRO 23 N -1.64 3.39 -0.13 7.34 0.04 -0.74 -4.44 135.00 138.81 3dh8 s PRO 23 Ca 0.36 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.61 3dh8 s PRO 23 Cb 0.29 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 3dh8 s PRO 23 CO -0.09 -0.76 -0.15 0.08 0.04 0.00 0.00 177.00 176.12 3dh8 s VAL 24 N -2.43 2.80 -0.06 -0.36 1.01 -0.89 -4.60 120.40 115.87 3dh8 s VAL 24 Ca 0.64 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3dh8 s VAL 24 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3dh8 s VAL 24 CO 0.35 0.53 0.20 -0.36 0.00 0.00 0.00 175.10 175.82 3dh8 s PHE 25 N 0.45 3.59 -0.19 5.22 0.40 0.05 -0.30 117.98 127.20 3dh8 s PHE 25 Ca -0.11 0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 56.76 3dh8 s PHE 25 Cb -0.16 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.42 3dh8 s PHE 25 CO 0.05 0.68 -0.15 -1.17 0.70 0.00 0.00 175.22 175.33 3dh8 s LEU 26 N -1.40 2.38 -0.16 -0.37 2.96 -0.25 -0.53 118.68 121.32 3dh8 s LEU 26 Ca 0.21 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3dh8 s LEU 26 Cb -0.13 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3dh8 s LEU 26 CO 0.11 0.00 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.36 3dh8 s LEU 27 N 1.29 3.32 -0.39 -0.68 1.43 0.05 -0.96 118.68 122.74 3dh8 s LEU 27 Ca 0.04 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 3dh8 s LEU 27 Cb -0.14 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dh8 s LEU 27 CO -0.09 0.16 0.67 -0.60 0.23 0.00 0.00 176.35 176.72 3dh8 s ARG 28 N 0.44 3.54 0.03 1.70 3.52 -0.31 -0.86 118.95 127.01 3dh8 s ARG 28 Ca -0.03 -0.06 0.21 0.00 -0.13 0.00 0.00 55.73 55.73 3dh8 s ARG 28 Cb -0.14 -3.86 -0.20 0.00 -1.56 0.00 0.00 34.95 29.18 3dh8 s ARG 28 CO 0.02 -0.87 0.65 1.28 -0.81 0.00 0.00 175.30 175.57 3dh8 n LEU 29 N 6.23 0.36 0.00 -0.88 4.77 0.81 -4.90 117.00 123.39 3dh8 n LEU 29 Ca -0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3dh8 n LEU 29 Cb 0.48 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3dh8 n LEU 29 CO 0.52 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3dh8 n GLY 30 N 1.30 0.71 0.37 -0.72 0.00 -0.83 -4.39 105.19 101.62 3dh8 n GLY 30 Ca -0.06 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.30 3dh8 n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dh8 h GLU 31 N 0.00 0.79 -0.33 1.61 5.08 -2.03 -3.20 114.58 116.50 3dh8 h GLU 31 Ca 0.00 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 3dh8 h GLU 31 Cb 0.00 -0.18 -0.34 0.00 0.50 0.00 0.00 28.75 28.73 3dh8 h GLU 31 CO 0.00 0.52 -0.94 0.00 -1.00 0.00 0.00 179.01 177.60 3dh8 n ALA 32 N -2.39 3.26 -3.48 3.43 0.00 -1.26 -5.05 120.51 115.01 3dh8 n ALA 32 Ca 0.18 -2.98 -0.13 0.00 0.00 0.00 0.00 53.44 50.52 3dh8 n ALA 32 Cb 0.43 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 3dh8 n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dh8 s SER 33 N -3.23 -0.58 0.06 0.00 0.15 -1.21 -4.72 113.70 104.17 3dh8 s SER 33 Ca 0.36 1.08 -0.04 0.00 0.70 0.00 0.00 55.95 58.05 3dh8 s SER 33 Cb 0.37 1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 65.72 3dh8 s SER 33 CO -0.06 -0.19 0.05 0.26 1.20 0.00 0.00 173.24 174.50 3dh8 s TRP 34 N 0.54 0.35 0.05 3.44 0.52 -0.20 -0.14 118.94 123.51 3dh8 s TRP 34 Ca -0.02 -0.81 0.03 0.00 0.02 0.00 0.00 56.10 55.32 3dh8 s TRP 34 Cb -0.04 -0.25 -0.03 0.00 -1.15 0.00 0.00 33.47 32.00 3dh8 s TRP 34 CO -0.03 -0.42 -0.10 0.00 0.02 0.00 0.00 176.95 176.43 3dh8 s ALA 35 N -3.58 0.80 0.10 0.98 0.00 -0.04 -0.71 121.76 119.30 3dh8 s ALA 35 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3dh8 s ALA 35 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3dh8 s ALA 35 CO -0.09 0.05 0.03 -0.51 0.00 0.00 0.00 175.76 175.24 3dh8 s LEU 36 N -1.64 3.58 -0.05 0.00 1.43 0.04 -0.77 118.68 121.26 3dh8 s LEU 36 Ca -0.07 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3dh8 s LEU 36 Cb -0.10 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3dh8 s LEU 36 CO 0.01 0.16 -0.03 -0.69 0.23 0.00 0.00 176.35 176.03 3dh8 s VAL 37 N -1.38 0.52 0.00 -1.59 1.01 0.31 -0.96 120.40 118.31 3dh8 s VAL 37 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3dh8 s VAL 37 Cb -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3dh8 s VAL 37 CO 0.20 0.24 0.00 -0.62 0.00 0.00 0.00 175.10 174.92 3dh8 n GLU 38 N 4.36 0.00 -0.01 2.72 -0.58 -0.41 -0.77 120.64 125.94 3dh8 n GLU 38 Ca -0.20 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.61 3dh8 n GLU 38 Cb 0.51 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.44 3dh8 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dh8 n GLY 39 N -0.79 0.07 7.00 0.62 0.00 -0.51 -4.66 105.19 106.91 3dh8 n GLY 39 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3dh8 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dh8 n GLY 40 N 0.81 0.51 3.52 -0.02 0.00 -1.23 -0.80 105.19 107.98 3dh8 n GLY 40 Ca 0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3dh8 n GLY 40 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dh8 s ILE 41 N 0.00 3.16 0.31 -0.61 -4.36 -1.26 -0.41 121.20 118.03 3dh8 s ILE 41 Ca 0.00 -0.99 0.01 0.00 -0.26 0.00 0.00 60.65 59.41 3dh8 s ILE 41 Cb 0.00 -2.35 0.27 0.00 1.25 0.00 0.00 42.46 41.64 3dh8 s ILE 41 CO 0.00 0.38 1.94 0.28 0.24 0.00 0.00 174.94 177.78 3dh8 h SER 42 N 4.58 0.88 0.51 4.36 0.02 -1.84 -1.84 113.55 120.22 3dh8 h SER 42 Ca -0.48 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3dh8 h SER 42 Cb 1.16 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3dh8 h SER 42 CO 0.50 0.60 0.00 -2.11 -1.14 0.00 0.00 176.83 174.68 3dh8 n ARG 43 N -4.45 0.13 -0.14 3.45 -4.01 -1.26 -1.72 116.66 108.65 3dh8 n ARG 43 Ca 0.11 0.42 0.07 0.00 -1.04 0.00 0.00 57.85 57.41 3dh8 n ARG 43 Cb 0.13 -1.77 0.21 0.00 -3.04 0.00 0.00 32.46 27.99 3dh8 n ARG 43 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3dh8 n ASP 44 N -2.01 1.66 -0.09 2.89 8.00 -0.69 -4.56 116.55 121.75 3dh8 n ASP 44 Ca 0.02 -1.91 -0.06 0.00 0.71 0.00 0.00 54.79 53.54 3dh8 n ASP 44 Cb 0.17 -0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 3dh8 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dh8 h ALA 45 N 3.70 0.33 -0.27 2.24 0.00 -1.49 -0.84 119.26 122.92 3dh8 h ALA 45 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3dh8 h ALA 45 Cb 0.43 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dh8 h ALA 45 CO 0.00 -0.37 -0.34 0.93 0.00 0.00 0.00 179.25 179.46 3dh8 h GLU 46 N 0.13 0.60 0.06 0.00 4.39 -1.86 -0.17 114.58 117.74 3dh8 h GLU 46 Ca 0.16 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3dh8 h GLU 46 Cb 0.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3dh8 h GLU 46 CO -0.24 0.86 -0.03 1.25 -1.16 0.00 0.00 179.01 179.69 3dh8 h LEU 47 N 0.51 -0.07 -0.74 1.33 5.85 -1.73 -1.13 115.31 119.33 3dh8 h LEU 47 Ca 0.05 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3dh8 h LEU 47 Cb 0.83 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3dh8 h LEU 47 CO 0.07 0.23 0.42 0.58 -0.34 0.00 0.00 178.44 179.40 3dh8 h VAL 48 N -0.37 1.22 -0.42 1.05 2.07 -1.13 -1.84 116.25 116.83 3dh8 h VAL 48 Ca -0.01 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3dh8 h VAL 48 Cb 0.33 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3dh8 h VAL 48 CO 0.01 0.23 0.12 -0.25 0.02 0.00 0.00 177.57 177.71 3dh8 h TRP 49 N 1.02 0.21 -0.40 1.57 2.91 -1.03 0.28 115.95 120.50 3dh8 h TRP 49 Ca 0.26 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.31 3dh8 h TRP 49 Cb 0.00 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 3dh8 h TRP 49 CO -0.01 0.06 0.25 0.00 -1.03 0.00 0.00 178.44 177.72 3dh8 h ALA 50 N 1.29 0.51 -0.54 2.65 0.00 -0.86 -1.44 119.26 120.87 3dh8 h ALA 50 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3dh8 h ALA 50 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dh8 h ALA 50 CO -0.23 -0.02 0.08 -0.44 0.00 0.00 0.00 179.25 178.65 3dh8 h ASP 51 N 0.53 0.86 -0.94 0.00 3.32 -1.07 -2.83 116.42 116.29 3dh8 h ASP 51 Ca 0.15 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.96 3dh8 h ASP 51 Cb -0.03 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 3dh8 h ASP 51 CO -0.03 0.91 0.62 0.25 -1.72 0.00 0.00 179.24 179.27 3dh8 h LEU 52 N 0.79 1.05 -0.52 1.55 5.85 0.14 -2.08 115.31 122.09 3dh8 h LEU 52 Ca 0.16 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3dh8 h LEU 52 Cb 0.41 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3dh8 h LEU 52 CO 0.01 0.74 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 3dh8 h ARG 54 N 0.00 0.00 0.00 0.00 3.08 -1.22 -3.33 114.38 112.91 3dh8 h ARG 54 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3dh8 h ARG 54 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3dh8 h ARG 54 CO 0.00 0.27 -1.98 0.91 -1.07 0.00 0.00 179.97 178.10 3dh8 n TRP 55 N -3.42 0.00 -3.92 3.04 7.02 -0.25 -4.89 117.44 115.03 3dh8 n TRP 55 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 3dh8 n TRP 55 Cb 0.47 -0.70 -0.14 0.00 -2.42 0.00 0.00 31.31 28.52 3dh8 n TRP 55 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3dh8 s VAL 56 N -2.35 2.72 0.28 -0.99 1.01 -0.20 -4.96 120.40 115.92 3dh8 s VAL 56 Ca -0.08 -2.10 -0.02 0.00 0.00 0.00 0.00 61.98 59.77 3dh8 s VAL 56 Cb 0.04 -2.88 0.18 0.00 0.00 0.00 0.00 36.38 33.73 3dh8 s VAL 56 CO 0.57 -0.55 1.86 0.00 0.00 0.00 0.00 175.10 176.98 3dh8 h ALA 57 N 7.82 1.26 -3.59 5.51 0.00 -1.87 -3.38 119.26 125.02 3dh8 h ALA 57 Ca -0.10 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 54.00 3dh8 h ALA 57 Cb 1.04 -0.25 -0.40 0.00 0.00 0.00 0.00 17.79 18.17 3dh8 h ALA 57 CO 0.58 0.54 -0.73 0.34 0.00 0.00 0.00 179.25 179.99 3dh8 s ASP 58 N -6.50 4.63 0.13 0.00 -1.08 -1.26 -4.99 116.67 107.60 3dh8 s ASP 58 Ca -0.10 -2.06 0.10 0.00 -0.52 0.00 0.00 52.55 49.97 3dh8 s ASP 58 Cb 0.16 -1.49 0.51 0.00 -1.46 0.00 0.00 42.92 40.65 3dh8 s ASP 58 CO 0.80 -0.39 1.30 -2.65 0.52 0.00 0.00 175.17 174.76 3dh8 n PRO 59 N 4.36 0.06 0.01 4.34 -0.02 -1.26 -1.05 135.00 141.44 3dh8 n PRO 59 Ca 0.03 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 3dh8 n PRO 59 Cb 0.42 -1.69 0.25 0.00 -0.02 0.00 0.00 33.50 32.46 3dh8 n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dh8 n SER 60 N -1.81 0.04 -0.49 2.55 3.41 -1.26 -2.19 113.62 113.87 3dh8 n SER 60 Ca -0.00 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 3dh8 n SER 60 Cb 0.03 -0.52 0.52 0.00 -0.26 0.00 0.00 64.21 63.98 3dh8 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh8 n GLN 61 N -1.55 1.68 -2.66 4.33 6.02 -0.21 -4.48 117.38 120.50 3dh8 n GLN 61 Ca 0.02 -0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 55.61 3dh8 n GLN 61 Cb 0.13 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 3dh8 n GLN 61 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dh8 s VAL 62 N -2.00 4.10 -0.14 5.09 1.01 -0.93 -1.03 120.40 126.50 3dh8 s VAL 62 Ca 0.38 0.64 0.18 0.00 0.00 0.00 0.00 61.98 63.17 3dh8 s VAL 62 Cb 0.21 -4.69 -0.25 0.00 0.00 0.00 0.00 36.38 31.65 3dh8 s VAL 62 CO 0.33 -1.33 0.31 1.41 0.00 0.00 0.00 175.10 175.82 3dh8 n HIS 63 N 8.23 0.26 -4.08 5.22 8.25 0.11 -2.92 115.22 130.30 3dh8 n HIS 63 Ca 0.06 0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 3dh8 n HIS 63 Cb 0.48 -0.96 -0.11 0.00 1.12 0.00 0.00 29.99 30.52 3dh8 n HIS 63 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3dh8 s TYR 64 N -2.72 0.73 -0.18 4.41 1.51 -1.22 -1.41 117.35 118.46 3dh8 s TYR 64 Ca -0.08 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.41 3dh8 s TYR 64 Cb 0.08 -0.43 0.06 0.00 -0.11 0.00 0.00 41.96 41.56 3dh8 s TYR 64 CO 0.84 -0.08 0.08 -0.46 -1.11 0.00 0.00 175.55 174.82 3dh8 s TRP 65 N -1.54 0.39 -0.08 2.71 -0.11 -0.15 -0.78 118.94 119.38 3dh8 s TRP 65 Ca -0.08 -0.47 -0.18 0.00 1.22 0.00 0.00 56.10 56.60 3dh8 s TRP 65 Cb -0.09 -0.78 -0.05 0.00 -1.50 0.00 0.00 33.47 31.05 3dh8 s TRP 65 CO 0.00 -0.55 0.48 -0.51 -4.62 0.00 0.00 176.95 171.75 3dh8 s LEU 66 N 2.07 4.34 -0.09 5.86 1.02 -0.14 -0.08 118.68 131.66 3dh8 s LEU 66 Ca 0.02 0.89 0.02 0.00 0.02 0.00 0.00 54.13 55.08 3dh8 s LEU 66 Cb -0.16 -2.70 0.01 0.00 0.02 0.00 0.00 46.19 43.36 3dh8 s LEU 66 CO -0.10 0.09 -0.15 -0.63 0.02 0.00 0.00 176.35 175.57 3dh8 s ILE 67 N 0.15 1.45 0.02 -0.59 -1.09 -0.44 -1.29 121.20 119.40 3dh8 s ILE 67 Ca 0.26 -0.63 -0.09 0.00 -2.23 0.00 0.00 60.65 57.96 3dh8 s ILE 67 Cb -0.16 -1.31 -0.31 0.00 -1.58 0.00 0.00 42.46 39.10 3dh8 s ILE 67 CO 0.12 0.43 0.95 0.71 -1.23 0.00 0.00 174.94 175.91 3dh8 h THR 68 N 5.93 1.25 -2.23 2.92 1.35 -1.84 -3.41 112.91 116.87 3dh8 h THR 68 Ca -0.29 -2.79 0.17 0.00 -0.55 0.00 0.00 66.41 62.94 3dh8 h THR 68 Cb 1.19 2.90 -0.11 0.00 -1.73 0.00 0.00 68.15 70.40 3dh8 h THR 68 CO 0.48 0.84 0.52 -1.38 -0.25 0.00 0.00 175.52 175.73 3dh8 s HIS 69 N -2.62 -0.20 -2.07 4.73 -3.43 -1.26 -1.40 115.29 109.05 3dh8 s HIS 69 Ca -0.09 -0.02 0.28 0.00 -0.80 0.00 0.00 55.06 54.43 3dh8 s HIS 69 Cb 0.06 0.59 1.59 0.00 -1.43 0.00 0.00 32.58 33.40 3dh8 s HIS 69 CO 0.89 -0.67 2.04 0.36 -2.00 0.00 0.00 174.74 175.36 3dh8 n LYS 70 N -0.38 1.11 -1.74 -0.38 2.85 -1.26 -4.50 118.16 113.85 3dh8 n LYS 70 Ca -0.07 -0.15 -0.40 0.00 -1.05 0.00 0.00 58.31 56.64 3dh8 n LYS 70 Cb 0.61 -1.45 0.02 0.00 -0.65 0.00 0.00 35.03 33.57 3dh8 n LYS 70 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3dh8 n HIS 71 N -0.77 2.42 0.08 5.58 8.25 -1.26 -4.83 115.22 124.69 3dh8 n HIS 71 Ca 0.21 0.45 0.19 0.00 -0.26 0.00 0.00 57.72 58.31 3dh8 n HIS 71 Cb 0.14 -2.41 0.74 0.00 1.12 0.00 0.00 29.99 29.58 3dh8 n HIS 71 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 3dh8 h TYR 72 N 1.97 0.00 -0.15 4.41 -0.00 -1.91 -0.28 116.97 121.01 3dh8 h TYR 72 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.23 3dh8 h TYR 72 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 3dh8 h TYR 72 CO 0.48 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.24 3dh8 n ASP 73 N -4.07 1.29 0.00 0.10 5.75 -1.26 -2.51 116.55 115.85 3dh8 n ASP 73 Ca 0.07 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 3dh8 n ASP 73 Cb 0.52 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3dh8 n ASP 73 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3dh8 n HIS 74 N 0.10 0.00 -1.42 2.11 8.25 -0.12 -3.53 115.22 120.61 3dh8 n HIS 74 Ca 0.14 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3dh8 n HIS 74 Cb 0.26 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3dh8 n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dh8 h GLY 76 N 0.00 0.00 1.38 0.00 0.00 -0.43 -2.53 103.07 101.49 3dh8 h GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dh8 h GLY 76 CO 0.00 0.00 -0.47 1.41 0.00 0.00 0.00 176.54 177.48 3dh8 h LEU 77 N 0.00 0.00 -0.25 3.11 3.38 -1.08 -3.28 115.31 117.19 3dh8 h LEU 77 Ca -0.00 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3dh8 h LEU 77 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dh8 h LEU 77 CO 0.01 0.07 0.16 -0.07 0.09 0.00 0.00 178.44 178.70 3dh8 h LEU 78 N 0.00 0.26 -1.86 1.67 3.38 -1.64 -1.08 115.31 116.04 3dh8 h LEU 78 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3dh8 h LEU 78 Cb 0.76 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dh8 h LEU 78 CO 0.00 0.19 -0.12 -0.65 0.09 0.00 0.00 178.44 177.95 3dh8 h PRO 79 N 0.32 0.00 0.06 1.13 0.11 -1.82 -1.06 132.00 130.74 3dh8 h PRO 79 Ca 0.09 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.89 3dh8 h PRO 79 Cb -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 3dh8 h PRO 79 CO -0.03 0.12 -1.74 1.88 -0.21 0.00 0.00 178.00 178.03 3dh8 h TYR 80 N 0.00 0.23 0.00 0.65 -1.99 -1.62 0.15 116.97 114.39 3dh8 h TYR 80 Ca -0.00 -0.16 -0.35 0.00 2.00 0.00 0.00 58.73 60.22 3dh8 h TYR 80 Cb 0.36 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 3dh8 h TYR 80 CO 0.00 1.30 -2.26 1.28 -0.00 0.00 0.00 178.16 178.48 3dh8 n LEU 81 N -3.26 0.15 -0.24 3.88 4.77 -0.48 -4.45 117.00 117.36 3dh8 n LEU 81 Ca -0.21 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3dh8 n LEU 81 Cb 1.04 0.43 0.39 0.00 -2.33 0.00 0.00 43.42 42.96 3dh8 n LEU 81 CO 0.45 0.47 1.22 0.00 -1.33 0.00 0.00 177.39 178.20 3dh8 h PRO 83 N 0.66 0.00 -0.10 0.00 0.11 -1.78 -1.88 132.00 129.00 3dh8 h PRO 83 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3dh8 h PRO 83 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3dh8 h PRO 83 CO -0.18 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.17 3dh8 n ARG 84 N -3.16 1.78 -3.50 1.05 1.74 -0.24 -4.58 116.66 109.76 3dh8 n ARG 84 Ca -0.01 -1.16 -0.27 0.00 -0.77 0.00 0.00 57.85 55.64 3dh8 n ARG 84 Cb 0.20 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.10 3dh8 n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dh8 n LEU 85 N 0.39 1.66 0.29 0.55 4.77 -0.71 -4.76 117.00 119.19 3dh8 n LEU 85 Ca 0.17 -4.93 0.15 0.00 -0.03 0.00 0.00 56.01 51.37 3dh8 n LEU 85 Cb 0.37 -0.09 0.89 0.00 -2.33 0.00 0.00 43.42 42.26 3dh8 n LEU 85 CO 0.15 1.92 1.12 1.55 -1.33 0.00 0.00 177.39 180.81 3dh8 h PRO 86 N 4.86 0.00 -0.51 3.23 0.13 -1.81 -2.50 132.00 135.40 3dh8 h PRO 86 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dh8 h PRO 86 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3dh8 h PRO 86 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 3dh8 n ASN 87 N -3.91 3.45 -4.80 1.44 3.02 -1.26 -5.01 115.26 108.20 3dh8 n ASN 87 Ca -0.03 -2.05 -0.36 0.00 -0.03 0.00 0.00 54.58 52.11 3dh8 n ASN 87 Cb 0.10 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 3dh8 n ASN 87 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dh8 s VAL 88 N -1.09 4.37 -0.15 2.41 0.11 -0.95 -4.54 120.40 120.57 3dh8 s VAL 88 Ca 0.35 1.56 0.02 0.00 -2.93 0.00 0.00 61.98 60.98 3dh8 s VAL 88 Cb 0.19 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 31.16 3dh8 s VAL 88 CO 0.23 0.09 -0.21 -1.58 -3.33 0.00 0.00 175.10 170.30 3dh8 s GLN 89 N -2.21 3.04 -0.11 1.54 0.74 -0.50 -4.81 119.66 117.34 3dh8 s GLN 89 Ca 0.49 -0.84 -0.23 0.00 0.05 0.00 0.00 55.36 54.83 3dh8 s GLN 89 Cb -0.16 -2.48 -0.03 0.00 1.10 0.00 0.00 33.01 31.43 3dh8 s GLN 89 CO 0.21 -0.05 0.72 0.08 -0.55 0.00 0.00 175.29 175.71 3dh8 s VAL 90 N 0.90 5.00 -0.25 1.34 1.01 0.46 -0.97 120.40 127.89 3dh8 s VAL 90 Ca -0.05 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.32 3dh8 s VAL 90 Cb -0.15 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3dh8 s VAL 90 CO -0.04 0.18 0.03 -0.76 0.00 0.00 0.00 175.10 174.51 3dh8 s LEU 91 N 1.27 3.32 0.12 3.92 1.43 0.88 0.11 118.68 129.73 3dh8 s LEU 91 Ca 0.36 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 3dh8 s LEU 91 Cb -0.17 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dh8 s LEU 91 CO 0.16 -0.06 0.26 0.00 0.23 0.00 0.00 176.35 176.94 3dh8 s ALA 92 N 1.55 -0.30 0.90 4.21 0.00 -1.17 -1.33 121.76 125.62 3dh8 s ALA 92 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 3dh8 s ALA 92 Cb -0.15 0.63 0.13 0.00 0.00 0.00 0.00 23.12 23.73 3dh8 s ALA 92 CO 0.01 -0.58 1.11 -1.54 0.00 0.00 0.00 175.76 174.76 3dh8 s SER 93 N -2.88 3.28 0.22 0.00 1.04 -1.26 -0.15 113.70 113.94 3dh8 s SER 93 Ca 0.08 1.86 -0.09 0.00 0.48 0.00 0.00 55.95 58.27 3dh8 s SER 93 Cb 0.04 -2.44 0.18 0.00 0.10 0.00 0.00 66.02 63.90 3dh8 s SER 93 CO -0.08 -2.82 1.89 -0.33 0.98 0.00 0.00 173.24 172.88 3dh8 h GLU 94 N -1.67 1.05 -0.63 4.02 5.08 -1.92 -0.34 114.58 120.17 3dh8 h GLU 94 Ca -0.47 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.74 3dh8 h GLU 94 Cb 1.27 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3dh8 h GLU 94 CO 0.48 0.70 0.05 0.00 -1.00 0.00 0.00 179.01 179.23 3dh8 h ARG 95 N 1.08 1.08 -0.45 2.33 3.08 -1.92 0.64 114.38 120.22 3dh8 h ARG 95 Ca 0.30 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3dh8 h ARG 95 Cb -0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3dh8 h ARG 95 CO -0.07 1.02 0.07 1.15 -1.07 0.00 0.00 179.97 181.08 3dh8 h THR 96 N 0.98 1.25 -0.68 2.04 2.02 -1.68 -2.72 112.91 114.13 3dh8 h THR 96 Ca 0.18 -0.89 0.10 0.00 0.77 0.00 0.00 66.41 66.56 3dh8 h THR 96 Cb 0.51 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 3dh8 h THR 96 CO 0.02 0.31 0.31 0.00 0.37 0.00 0.00 175.52 176.54 3dh8 h GLN 98 N 0.53 0.88 -0.57 0.00 4.20 -0.66 -1.76 115.11 117.73 3dh8 h GLN 98 Ca 0.34 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3dh8 h GLN 98 Cb 0.38 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3dh8 h GLN 98 CO -0.29 0.58 0.35 0.00 -0.67 0.00 0.00 178.83 178.81 3dh8 h ALA 99 N 1.55 1.54 0.00 3.87 0.00 -1.02 -0.36 119.26 124.85 3dh8 h ALA 99 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3dh8 h ALA 99 Cb 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dh8 h ALA 99 CO -0.23 0.41 0.00 0.91 0.00 0.00 0.00 179.25 180.33 3dh8 n TRP 100 N -4.42 0.09 0.48 0.00 8.01 -0.67 -2.10 117.44 118.83 3dh8 n TRP 100 Ca 0.05 0.03 0.11 0.00 -1.31 0.00 0.00 57.50 56.38 3dh8 n TRP 100 Cb 0.07 -0.55 0.16 0.00 -2.01 0.00 0.00 31.31 28.98 3dh8 n TRP 100 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3dh8 n LYS 101 N -1.58 2.29 -3.75 -0.99 5.02 -0.18 -3.59 118.16 115.39 3dh8 n LYS 101 Ca 0.06 -2.08 -0.36 0.00 -2.02 0.00 0.00 58.31 53.91 3dh8 n LYS 101 Cb 0.30 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 3dh8 n LYS 101 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dh8 s SER 102 N -1.54 5.96 0.15 4.39 0.15 -0.89 -5.01 113.70 116.91 3dh8 s SER 102 Ca 0.33 0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.91 3dh8 s SER 102 Cb 0.20 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 3dh8 s SER 102 CO 0.29 0.10 1.81 -0.33 1.20 0.00 0.00 173.24 176.30 3dh8 h GLU 103 N 7.28 0.49 -0.40 5.44 5.08 -1.91 -1.31 114.58 129.25 3dh8 h GLU 103 Ca -0.38 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.85 3dh8 h GLU 103 Cb 1.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3dh8 h GLU 103 CO 0.67 0.32 -0.17 0.66 -1.00 0.00 0.00 179.01 179.50 3dh8 h SER 104 N 0.50 0.75 0.08 1.42 4.64 -1.95 -0.94 113.55 118.05 3dh8 h SER 104 Ca 0.15 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dh8 h SER 104 Cb -0.03 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3dh8 h SER 104 CO -0.05 0.92 -0.04 0.00 -0.87 0.00 0.00 176.83 176.79 3dh8 h ALA 105 N 1.14 -0.10 -0.96 5.18 0.00 -1.79 -2.76 119.26 119.97 3dh8 h ALA 105 Ca 0.10 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dh8 h ALA 105 Cb 0.66 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3dh8 h ALA 105 CO 0.05 -0.45 0.63 0.28 0.00 0.00 0.00 179.25 179.75 3dh8 h VAL 106 N -0.32 1.13 -0.57 0.00 2.07 -1.12 -2.25 116.25 115.18 3dh8 h VAL 106 Ca -0.01 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.19 3dh8 h VAL 106 Cb 0.28 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.84 3dh8 h VAL 106 CO 0.02 0.21 0.21 -0.09 0.02 0.00 0.00 177.57 177.94 3dh8 h ARG 107 N 1.16 0.38 -0.14 1.57 2.43 -1.00 -0.17 114.38 118.62 3dh8 h ARG 107 Ca 0.40 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 3dh8 h ARG 107 Cb 0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3dh8 h ARG 107 CO -0.14 0.25 0.06 0.28 -1.51 0.00 0.00 179.97 178.91 3dh8 h VAL 108 N 0.39 1.14 -0.50 0.20 2.07 -1.20 0.09 116.25 118.44 3dh8 h VAL 108 Ca 0.28 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3dh8 h VAL 108 Cb 0.33 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3dh8 h VAL 108 CO -0.28 0.13 0.29 0.58 0.02 0.00 0.00 177.57 178.30 3dh8 h VAL 109 N 0.08 1.03 -0.58 2.57 2.07 -1.03 -0.58 116.25 119.81 3dh8 h VAL 109 Ca 0.05 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3dh8 h VAL 109 Cb 0.15 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3dh8 h VAL 109 CO -0.00 0.10 0.22 -0.33 0.02 0.00 0.00 177.57 177.58 3dh8 h GLU 110 N 0.57 0.87 -0.43 1.57 5.08 -0.90 -1.01 114.58 120.33 3dh8 h GLU 110 Ca 0.20 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3dh8 h GLU 110 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3dh8 h GLU 110 CO -0.10 0.76 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.56 3dh8 h ARG 111 N 0.80 0.77 -0.23 2.33 2.43 -0.62 0.13 114.38 120.00 3dh8 h ARG 111 Ca 0.19 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 3dh8 h ARG 111 Cb 0.22 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3dh8 h ARG 111 CO -0.01 0.85 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.86 3dh8 h LEU 112 N 0.61 0.55 -0.53 3.80 3.38 -1.06 -2.64 115.31 119.41 3dh8 h LEU 112 Ca 0.12 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3dh8 h LEU 112 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3dh8 h LEU 112 CO 0.03 0.87 -0.09 0.78 0.09 0.00 0.00 178.44 180.11 3dh8 h ASN 113 N 0.44 1.00 0.08 -0.43 2.35 -1.03 -2.95 115.58 115.05 3dh8 h ASN 113 Ca 0.04 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3dh8 h ASN 113 Cb 0.85 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 3dh8 h ASN 113 CO 0.07 1.11 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.80 3dh8 h ARG 114 N 0.87 0.00 0.00 0.81 2.43 -0.50 -2.47 114.38 115.52 3dh8 h ARG 114 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3dh8 h ARG 114 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3dh8 h ARG 114 CO 0.05 0.08 0.00 1.96 -1.51 0.00 0.00 179.97 180.54 3dh8 h GLN 115 N 0.00 0.00 -0.14 0.20 4.20 -1.29 -2.53 115.11 115.55 3dh8 h GLN 115 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dh8 h GLN 115 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3dh8 h GLN 115 CO 0.01 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 3dh8 n LEU 116 N -2.32 2.91 -4.76 1.46 4.77 -0.93 -4.95 117.00 113.18 3dh8 n LEU 116 Ca 0.01 -1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 54.40 3dh8 n LEU 116 Cb 0.16 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3dh8 n LEU 116 CO 0.16 0.55 0.89 -0.76 -1.33 0.00 0.00 177.39 176.90 3dh8 s LEU 117 N -1.60 4.49 0.53 2.23 1.43 -0.96 -4.88 118.68 119.92 3dh8 s LEU 117 Ca 0.28 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 3dh8 s LEU 117 Cb 0.18 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 3dh8 s LEU 117 CO 0.27 -0.35 0.93 -0.13 0.23 0.00 0.00 176.35 177.30 3dh8 s ARG 118 N -1.50 3.74 0.29 1.70 1.81 -1.26 -4.96 118.95 118.77 3dh8 s ARG 118 Ca 0.47 0.69 0.01 0.00 -1.72 0.00 0.00 55.73 55.18 3dh8 s ARG 118 Cb -0.36 -2.20 0.69 0.00 -0.45 0.00 0.00 34.95 32.64 3dh8 s ARG 118 CO 0.46 -0.32 1.46 0.00 -0.68 0.00 0.00 175.30 176.22 3dh8 n ALA 119 N -2.02 0.46 0.07 2.13 0.00 -1.26 -2.19 120.51 117.69 3dh8 n ALA 119 Ca 0.05 1.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.36 3dh8 n ALA 119 Cb 0.54 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 3dh8 n ALA 119 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3dh8 h GLU 120 N 0.00 -0.14 -7.07 0.00 9.09 -2.03 -3.48 114.58 110.94 3dh8 h GLU 120 Ca 0.56 0.01 -0.45 0.00 0.05 0.00 0.00 59.36 59.52 3dh8 h GLU 120 Cb 1.13 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 3dh8 h GLU 120 CO -0.88 0.13 0.33 1.14 0.05 0.00 0.00 179.01 179.77 3dh8 s GLN 121 N -5.11 4.13 -0.03 1.06 -2.07 -0.93 -5.06 119.66 111.65 3dh8 s GLN 121 Ca -0.15 1.04 0.04 0.00 -1.82 0.00 0.00 55.36 54.48 3dh8 s GLN 121 Cb 0.03 -2.19 -0.03 0.00 -1.09 0.00 0.00 33.01 29.74 3dh8 s GLN 121 CO 0.63 -0.08 -0.16 1.03 -1.32 0.00 0.00 175.29 175.39 3dh8 s ARG 122 N -3.42 2.41 0.44 9.60 3.00 -1.26 -4.86 118.95 124.86 3dh8 s ARG 122 Ca 0.61 -0.75 -0.22 0.00 0.00 0.00 0.00 55.73 55.36 3dh8 s ARG 122 Cb -0.09 -2.32 -0.09 0.00 0.00 0.00 0.00 34.95 32.44 3dh8 s ARG 122 CO 0.18 0.61 1.02 -0.51 0.00 0.00 0.00 175.30 176.60 3dh8 s LEU 123 N -0.82 3.98 1.18 2.53 1.43 -1.26 -5.05 118.68 120.67 3dh8 s LEU 123 Ca 0.12 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 54.98 3dh8 s LEU 123 Cb -0.11 -4.40 0.28 0.00 0.03 0.00 0.00 46.19 41.99 3dh8 s LEU 123 CO 0.01 -0.58 1.04 -2.16 0.23 0.00 0.00 176.35 174.89 3dh8 s PRO 124 N -2.92 -1.00 0.43 1.29 0.04 -1.26 -4.94 135.00 126.65 3dh8 s PRO 124 Ca 0.62 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.86 3dh8 s PRO 124 Cb -0.17 -1.58 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 3dh8 s PRO 124 CO 0.21 -3.67 1.17 -1.21 0.04 0.00 0.00 177.00 173.54 3dh8 s GLU 125 N -4.88 3.90 -0.03 4.56 0.41 -1.26 -4.93 118.70 116.47 3dh8 s GLU 125 Ca 0.68 1.81 0.02 0.00 -0.41 0.00 0.00 54.97 57.07 3dh8 s GLU 125 Cb -0.18 -2.54 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 3dh8 s GLU 125 CO 0.60 -0.44 -0.06 0.00 -0.49 0.00 0.00 175.26 174.87 3dh8 s ALA 126 N -1.48 3.03 0.50 5.21 0.00 -1.26 -4.61 121.76 123.14 3dh8 s ALA 126 Ca 0.60 -0.95 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 3dh8 s ALA 126 Cb -0.30 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.56 3dh8 s ALA 126 CO 0.37 0.60 1.33 0.00 0.00 0.00 0.00 175.76 178.06 3dh8 s ALA 128 N -1.32 3.59 0.32 0.00 0.00 -1.26 -4.71 121.76 118.38 3dh8 s ALA 128 Ca 0.67 1.48 0.04 0.00 0.00 0.00 0.00 51.96 54.14 3dh8 s ALA 128 Cb -0.39 -3.58 0.63 0.00 0.00 0.00 0.00 23.12 19.78 3dh8 s ALA 128 CO 0.47 -0.92 1.88 -1.49 0.00 0.00 0.00 175.76 175.71 3dh8 h TRP 129 N 3.65 0.99 -0.02 0.00 4.06 -1.96 -0.56 115.95 122.12 3dh8 h TRP 129 Ca -0.49 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.49 3dh8 h TRP 129 Cb 1.23 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 3dh8 h TRP 129 CO 0.56 0.44 0.00 -0.40 -3.56 0.00 0.00 178.44 175.48 3dh8 n ASP 130 N -4.55 0.49 -0.79 -3.49 5.75 -1.24 -3.18 116.55 109.54 3dh8 n ASP 130 Ca 0.16 -1.30 0.08 0.00 -0.01 0.00 0.00 54.79 53.73 3dh8 n ASP 130 Cb 0.32 -0.01 0.14 0.00 -1.03 0.00 0.00 41.12 40.54 3dh8 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dh8 n ALA 131 N -0.56 2.38 -1.73 2.12 0.00 -0.23 -5.03 120.51 117.47 3dh8 n ALA 131 Ca 0.19 -0.88 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 3dh8 n ALA 131 Cb 0.17 -0.60 0.03 0.00 0.00 0.00 0.00 19.45 19.05 3dh8 n ALA 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dh8 s LEU 132 N -1.23 3.65 -1.35 0.00 1.43 -1.16 -4.87 118.68 115.15 3dh8 s LEU 132 Ca 0.26 2.36 -0.16 0.00 -1.03 0.00 0.00 54.13 55.56 3dh8 s LEU 132 Cb 0.16 -4.60 0.07 0.00 0.03 0.00 0.00 46.19 41.85 3dh8 s LEU 132 CO 0.22 -1.60 1.91 -0.81 0.23 0.00 0.00 176.35 176.30 3dh8 n PRO 133 N -1.65 3.11 -3.87 1.29 -0.04 -1.26 -4.96 135.00 127.61 3dh8 n PRO 133 Ca 0.13 -3.08 -0.34 0.00 -0.04 0.00 0.00 63.50 60.18 3dh8 n PRO 133 Cb 0.50 -3.35 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 3dh8 n PRO 133 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dh8 s VAL 134 N 3.41 5.41 -0.15 0.52 -7.23 -1.26 -0.41 120.40 120.69 3dh8 s VAL 134 Ca 0.50 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.59 3dh8 s VAL 134 Cb 0.08 -3.54 0.02 0.00 0.56 0.00 0.00 36.38 33.50 3dh8 s VAL 134 CO 0.01 0.34 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.40 3dh8 s ARG 135 N -1.88 2.19 0.33 4.82 3.52 0.12 -4.89 118.95 123.16 3dh8 s ARG 135 Ca 0.27 -0.54 -0.28 0.00 -0.13 0.00 0.00 55.73 55.05 3dh8 s ARG 135 Cb -0.13 -2.06 -0.10 0.00 -1.56 0.00 0.00 34.95 31.11 3dh8 s ARG 135 CO 0.18 -0.25 1.21 0.00 -0.81 0.00 0.00 175.30 175.63 3dh8 s ALA 136 N 1.51 3.39 0.17 6.12 0.00 -1.26 -3.01 121.76 128.68 3dh8 s ALA 136 Ca 0.05 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.19 3dh8 s ALA 136 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3dh8 s ALA 136 CO -0.10 -0.47 -0.21 0.14 0.00 0.00 0.00 175.76 175.12 3dh8 s VAL 137 N -1.21 2.55 0.14 0.00 -7.23 0.78 -4.90 120.40 110.52 3dh8 s VAL 137 Ca 0.49 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 3dh8 s VAL 137 Cb -0.35 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3dh8 s VAL 137 CO 0.46 -0.05 0.23 0.00 -0.31 0.00 0.00 175.10 175.43 3dh8 s ALA 138 N -1.49 3.85 0.11 1.32 0.00 -1.26 -3.88 121.76 120.41 3dh8 s ALA 138 Ca 0.20 -1.05 -0.35 0.00 0.00 0.00 0.00 51.96 50.76 3dh8 s ALA 138 Cb -0.09 -1.66 -0.14 0.00 0.00 0.00 0.00 23.12 21.23 3dh8 s ALA 138 CO 0.10 0.58 1.55 -3.47 0.00 0.00 0.00 175.76 174.52 3dh8 n ASP 139 N -0.34 2.76 0.00 0.00 2.03 -1.26 -1.68 116.55 118.06 3dh8 n ASP 139 Ca -0.07 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.32 3dh8 n ASP 139 Cb 0.54 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 3dh8 n ASP 139 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dh8 n GLY 140 N 3.31 1.50 3.76 0.27 0.00 0.57 -4.99 105.19 109.61 3dh8 n GLY 140 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3dh8 n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dh8 s GLU 141 N -0.25 4.29 -0.12 1.61 2.12 -0.67 -4.70 118.70 120.97 3dh8 s GLU 141 Ca 0.00 2.28 -0.24 0.00 0.36 0.00 0.00 54.97 57.38 3dh8 s GLU 141 Cb 0.00 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3dh8 s GLU 141 CO 0.00 -0.33 0.74 -1.58 -0.54 0.00 0.00 175.26 173.55 3dh8 s TRP 142 N -0.54 3.49 -0.45 5.30 0.52 -1.26 -0.79 118.94 125.21 3dh8 s TRP 142 Ca 0.55 1.21 -0.11 0.00 0.02 0.00 0.00 56.10 57.77 3dh8 s TRP 142 Cb -0.41 -2.89 0.10 0.00 -1.15 0.00 0.00 33.47 29.12 3dh8 s TRP 142 CO 0.49 -0.07 0.33 -0.51 0.02 0.00 0.00 176.95 177.20 3dh8 s LEU 143 N 1.46 5.49 -1.15 2.99 1.43 0.12 -4.96 118.68 124.06 3dh8 s LEU 143 Ca 0.37 -1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 51.65 3dh8 s LEU 143 Cb -0.17 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.11 3dh8 s LEU 143 CO 0.15 -0.63 1.48 -1.61 0.23 0.00 0.00 176.35 175.97 3dh8 s GLU 144 N 1.45 3.86 0.06 1.70 0.41 -1.26 -1.46 118.70 123.45 3dh8 s GLU 144 Ca 0.04 -1.91 -0.14 0.00 -0.41 0.00 0.00 54.97 52.55 3dh8 s GLU 144 Cb -0.25 -5.26 -0.29 0.00 -1.78 0.00 0.00 34.13 26.55 3dh8 s GLU 144 CO 0.02 -2.03 1.10 -0.07 -0.49 0.00 0.00 175.26 173.79 3dh8 h LEU 145 N 11.49 0.84 -8.03 1.80 3.38 -1.73 -3.49 115.31 119.57 3dh8 h LEU 145 Ca 0.31 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3dh8 h LEU 145 Cb 0.93 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dh8 h LEU 145 CO 1.33 1.60 0.24 -0.83 0.09 0.00 0.00 178.44 180.88 3dh8 s GLY 146 N -4.47 0.44 0.55 0.83 0.00 -0.87 -4.97 107.32 98.84 3dh8 s GLY 146 Ca -0.09 -0.80 0.25 0.00 0.00 0.00 0.00 44.72 44.08 3dh8 s GLY 146 CO 0.93 -0.35 2.07 -2.55 0.00 0.00 0.00 173.10 173.19 3dh8 h PRO 147 N 2.01 0.00 0.00 2.90 0.11 -1.94 -1.78 132.00 133.29 3dh8 h PRO 147 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3dh8 h PRO 147 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3dh8 h PRO 147 CO 0.40 0.00 -0.29 0.54 -0.21 0.00 0.00 178.00 178.44 3dh8 n ARG 148 N -4.15 1.14 -3.68 1.05 1.74 -1.26 -4.97 116.66 106.54 3dh8 n ARG 148 Ca 0.04 -2.59 -0.28 0.00 -0.77 0.00 0.00 57.85 54.25 3dh8 n ARG 148 Cb 0.39 -1.32 -0.16 0.00 -1.02 0.00 0.00 32.46 30.35 3dh8 n ARG 148 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3dh8 s HIS 149 N -2.47 0.85 -0.14 -1.55 3.76 -0.67 -5.03 115.29 110.04 3dh8 s HIS 149 Ca 0.30 -0.88 -0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3dh8 s HIS 149 Cb 0.29 -1.04 0.04 0.00 1.11 0.00 0.00 32.58 32.97 3dh8 s HIS 149 CO -0.02 -0.66 -0.05 0.50 -0.85 0.00 0.00 174.74 173.66 3dh8 s ARG 150 N 1.92 1.29 -0.05 1.40 3.52 -1.26 -1.74 118.95 124.03 3dh8 s ARG 150 Ca 0.03 -0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.35 3dh8 s ARG 150 Cb -0.17 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.48 3dh8 s ARG 150 CO -0.15 -0.37 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.22 3dh8 s LEU 151 N 1.72 2.19 -0.16 -0.88 1.02 -0.54 -4.33 118.68 117.71 3dh8 s LEU 151 Ca 0.03 -0.45 -0.10 0.00 0.02 0.00 0.00 54.13 53.63 3dh8 s LEU 151 Cb -0.14 -1.40 -0.05 0.00 0.02 0.00 0.00 46.19 44.62 3dh8 s LEU 151 CO -0.08 0.28 0.16 -1.58 0.02 0.00 0.00 176.35 175.15 3dh8 s GLN 152 N -0.35 3.94 -0.03 1.70 0.74 0.21 0.13 119.66 126.00 3dh8 s GLN 152 Ca 0.02 -0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 3dh8 s GLN 152 Cb -0.12 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 3dh8 s GLN 152 CO 0.02 0.46 1.05 0.08 -0.55 0.00 0.00 175.29 176.35 3dh8 s VAL 153 N -0.14 4.64 -0.12 1.34 1.01 0.03 -1.12 120.40 126.04 3dh8 s VAL 153 Ca 0.12 1.91 0.01 0.00 0.00 0.00 0.00 61.98 64.01 3dh8 s VAL 153 Cb -0.12 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3dh8 s VAL 153 CO 0.01 0.08 -0.13 -0.63 0.00 0.00 0.00 175.10 174.43 3dh8 s ILE 154 N 1.51 1.40 0.26 2.22 1.01 -0.23 -0.32 121.20 127.07 3dh8 s ILE 154 Ca 0.52 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 3dh8 s ILE 154 Cb -0.22 -1.32 -0.10 0.00 0.01 0.00 0.00 42.46 40.83 3dh8 s ILE 154 CO 0.24 0.43 1.42 -0.70 0.00 0.00 0.00 174.94 176.33 3dh8 s GLU 155 N 1.32 4.27 -0.40 2.79 2.12 -1.26 -1.22 118.70 126.32 3dh8 s GLU 155 Ca 0.00 2.30 0.10 0.00 0.36 0.00 0.00 54.97 57.73 3dh8 s GLU 155 Cb -0.14 -3.10 0.33 0.00 0.26 0.00 0.00 34.13 31.48 3dh8 s GLU 155 CO -0.06 -0.39 0.82 0.00 -0.54 0.00 0.00 175.26 175.08 3dh8 n ALA 156 N 2.06 1.17 -1.52 6.30 0.00 0.24 -4.87 120.51 123.90 3dh8 n ALA 156 Ca 0.06 -2.81 -0.29 0.00 0.00 0.00 0.00 53.44 50.39 3dh8 n ALA 156 Cb 0.40 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 18.98 3dh8 n ALA 156 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3dh8 s HIS 157 N -1.47 2.58 0.00 0.00 3.76 -1.21 -4.48 115.29 114.48 3dh8 s HIS 157 Ca 0.34 0.95 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 3dh8 s HIS 157 Cb 0.31 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.70 3dh8 s HIS 157 CO -0.08 -2.22 0.00 0.41 -0.85 0.00 0.00 174.74 172.00 3dh8 n GLY 158 N -2.12 3.15 0.13 -2.22 0.00 -1.26 -3.15 105.19 99.72 3dh8 n GLY 158 Ca 0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 3dh8 n GLY 158 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dh8 h HIS 159 N 0.00 0.04 -4.12 1.61 -0.00 -1.80 -0.87 115.15 110.01 3dh8 h HIS 159 Ca 0.00 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.27 3dh8 h HIS 159 Cb 0.00 0.02 -0.14 0.00 -0.00 0.00 0.00 27.41 27.29 3dh8 h HIS 159 CO 0.00 -0.01 -0.55 -1.54 -0.00 0.00 0.00 177.93 175.83 3dh8 s SER 160 N -5.27 0.30 0.00 3.26 1.04 -1.26 -2.86 113.70 108.91 3dh8 s SER 160 Ca -0.13 -0.94 0.26 0.00 0.48 0.00 0.00 55.95 55.63 3dh8 s SER 160 Cb 0.11 0.29 1.41 0.00 0.10 0.00 0.00 66.02 67.93 3dh8 s SER 160 CO 0.70 -0.70 1.93 -0.90 0.98 0.00 0.00 173.24 175.25 3dh8 n ASP 161 N -0.02 0.45 0.00 7.02 5.68 -1.26 -3.27 116.55 125.15 3dh8 n ASP 161 Ca -0.12 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 3dh8 n ASP 161 Cb 0.62 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 3dh8 n ASP 161 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3dh8 n ASP 162 N -0.59 0.85 -4.74 -1.12 5.75 -1.26 -4.92 116.55 110.52 3dh8 n ASP 162 Ca 0.19 -1.06 -0.41 0.00 -0.01 0.00 0.00 54.79 53.50 3dh8 n ASP 162 Cb 0.16 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 3dh8 n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3dh8 s HIS 163 N -0.06 3.12 0.21 2.11 2.46 -1.20 -4.62 115.29 117.30 3dh8 s HIS 163 Ca 0.00 1.14 0.06 0.00 0.47 0.00 0.00 55.06 56.73 3dh8 s HIS 163 Cb 0.00 -3.72 -0.05 0.00 -0.13 0.00 0.00 32.58 28.68 3dh8 s HIS 163 CO 0.00 -2.28 -0.10 0.14 -2.47 0.00 0.00 174.74 170.03 3dh8 s VAL 164 N -0.07 1.50 0.29 0.89 -7.23 -0.49 -0.59 120.40 114.70 3dh8 s VAL 164 Ca 0.57 -2.14 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 3dh8 s VAL 164 Cb -0.40 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 3dh8 s VAL 164 CO 0.42 -0.55 -0.08 0.68 -0.31 0.00 0.00 175.10 175.26 3dh8 s VAL 165 N -3.12 1.83 -0.09 1.32 -7.23 -0.36 -4.62 120.40 108.14 3dh8 s VAL 165 Ca 0.23 -2.17 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3dh8 s VAL 165 Cb 0.02 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.53 3dh8 s VAL 165 CO 0.06 -0.31 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.13 3dh8 s PHE 166 N -2.89 1.17 -0.16 2.82 0.40 -0.77 -1.06 117.98 117.48 3dh8 s PHE 166 Ca 0.30 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 3dh8 s PHE 166 Cb 0.03 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 3dh8 s PHE 166 CO 0.13 -0.39 -0.10 -0.47 0.70 0.00 0.00 175.22 175.08 3dh8 s TYR 167 N 1.53 2.87 -0.60 0.36 5.04 -0.28 -1.08 117.35 125.20 3dh8 s TYR 167 Ca 0.00 -0.78 -0.13 0.00 -2.44 0.00 0.00 57.07 53.72 3dh8 s TYR 167 Cb -0.13 -1.94 0.15 0.00 0.35 0.00 0.00 41.96 40.39 3dh8 s TYR 167 CO -0.05 -0.35 0.52 0.34 -1.34 0.00 0.00 175.55 174.68 3dh8 s ASP 168 N 0.76 6.15 0.33 4.32 -1.08 0.85 -0.62 116.67 127.39 3dh8 s ASP 168 Ca -0.04 -2.11 0.16 0.00 -0.52 0.00 0.00 52.55 50.04 3dh8 s ASP 168 Cb -0.15 -2.14 0.52 0.00 -1.46 0.00 0.00 42.92 39.69 3dh8 s ASP 168 CO 0.01 -0.72 1.66 1.62 0.52 0.00 0.00 175.17 178.27 3dh8 h VAL 169 N 5.64 1.04 -0.97 1.11 3.04 -1.83 -0.80 116.25 123.49 3dh8 h VAL 169 Ca -0.16 -1.79 0.07 0.00 -1.01 0.00 0.00 66.70 63.82 3dh8 h VAL 169 Cb 1.07 2.05 -0.07 0.00 -2.01 0.00 0.00 31.29 32.34 3dh8 h VAL 169 CO 0.90 0.45 0.63 -0.09 -1.01 0.00 0.00 177.57 178.45 3dh8 h ARG 170 N 0.00 1.06 -0.11 4.17 2.43 -1.92 -1.92 114.38 118.09 3dh8 h ARG 170 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3dh8 h ARG 170 Cb 1.02 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3dh8 h ARG 170 CO 0.06 0.70 0.00 0.54 -1.51 0.00 0.00 179.97 179.76 3dh8 n ARG 171 N -4.51 1.95 -3.96 0.20 1.74 -1.02 -4.97 116.66 106.09 3dh8 n ARG 171 Ca 0.15 -1.82 -0.27 0.00 -0.77 0.00 0.00 57.85 55.15 3dh8 n ARG 171 Cb 0.22 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 3dh8 n ARG 171 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dh8 n ARG 172 N 1.17 -2.88 -4.68 5.56 5.12 -0.41 -4.48 116.66 116.06 3dh8 n ARG 172 Ca 0.13 0.37 -0.32 0.00 -1.93 0.00 0.00 57.85 56.10 3dh8 n ARG 172 Cb 0.52 -4.37 -0.17 0.00 -1.16 0.00 0.00 32.46 27.28 3dh8 n ARG 172 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3dh8 s ARG 173 N -6.60 2.97 -0.19 5.56 3.52 -0.56 -0.38 118.95 123.27 3dh8 s ARG 173 Ca 0.05 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 3dh8 s ARG 173 Cb -0.02 -2.39 0.02 0.00 -1.56 0.00 0.00 34.95 31.00 3dh8 s ARG 173 CO 0.90 -0.01 -0.19 -1.17 -0.81 0.00 0.00 175.30 174.02 3dh8 s LEU 174 N 0.81 2.22 -0.63 -0.88 2.96 -0.50 -0.10 118.68 122.54 3dh8 s LEU 174 Ca -0.07 -0.71 -0.23 0.00 -0.22 0.00 0.00 54.13 52.90 3dh8 s LEU 174 Cb -0.16 -1.47 0.06 0.00 0.50 0.00 0.00 46.19 45.13 3dh8 s LEU 174 CO -0.02 -0.02 0.99 -0.36 -1.32 0.00 0.00 176.35 175.62 3dh8 s PHE 175 N 1.29 2.67 -2.82 5.38 0.40 -0.24 -0.64 117.98 124.02 3dh8 s PHE 175 Ca 0.04 -0.34 0.25 0.00 -0.60 0.00 0.00 56.93 56.27 3dh8 s PHE 175 Cb -0.14 -4.26 0.33 0.00 0.51 0.00 0.00 43.02 39.46 3dh8 s PHE 175 CO -0.12 -1.60 1.33 0.00 0.70 0.00 0.00 175.22 175.53 3dh8 n GLY 177 N 1.33 2.83 1.25 0.00 0.00 -1.26 -1.71 105.19 107.63 3dh8 n GLY 177 Ca 0.14 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3dh8 n GLY 177 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dh8 n ASP 178 N 1.46 4.27 0.25 1.61 8.00 -1.26 0.07 116.55 130.95 3dh8 n ASP 178 Ca 0.00 -2.56 0.16 0.00 0.71 0.00 0.00 54.79 53.10 3dh8 n ASP 178 Cb 0.00 -0.51 0.61 0.00 -0.02 0.00 0.00 41.12 41.20 3dh8 n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dh8 h ALA 179 N 3.06 1.00 -0.01 2.24 0.00 -1.67 -1.82 119.26 122.06 3dh8 h ALA 179 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dh8 h ALA 179 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dh8 h ALA 179 CO 0.21 0.00 -0.41 1.28 0.00 0.00 0.00 179.25 180.33 3dh8 n LEU 180 N -2.96 1.58 0.00 0.00 4.32 -1.26 -4.88 117.00 113.80 3dh8 n LEU 180 Ca 0.01 -0.54 0.00 0.00 -0.02 0.00 0.00 56.01 55.46 3dh8 n LEU 180 Cb 0.32 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3dh8 n LEU 180 CO 0.27 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 3dh8 n GLY 181 N 1.39 -1.12 3.47 -0.72 0.00 -0.69 -4.67 105.19 102.86 3dh8 n GLY 181 Ca 0.10 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 3dh8 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh8 s ALA 182 N -1.87 3.01 -0.09 4.61 0.00 -0.18 -4.74 121.76 122.52 3dh8 s ALA 182 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3dh8 s ALA 182 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3dh8 s ALA 182 CO 0.00 0.05 1.24 0.12 0.00 0.00 0.00 175.76 177.16 3dh8 s PHE 183 N 0.66 3.05 -0.60 0.00 5.36 -1.26 -0.75 117.98 124.43 3dh8 s PHE 183 Ca -0.01 1.11 -0.26 0.00 -0.96 0.00 0.00 56.93 56.81 3dh8 s PHE 183 Cb -0.14 -3.47 0.04 0.00 -0.34 0.00 0.00 43.02 39.11 3dh8 s PHE 183 CO 0.02 -1.53 1.12 0.34 -1.46 0.00 0.00 175.22 173.71 3dh8 s ASP 184 N 1.68 6.35 0.46 6.13 -1.08 0.65 -4.91 116.67 125.94 3dh8 s ASP 184 Ca 0.56 -0.19 0.14 0.00 -0.52 0.00 0.00 52.55 52.55 3dh8 s ASP 184 Cb -0.24 -2.51 1.03 0.00 -1.46 0.00 0.00 42.92 39.74 3dh8 s ASP 184 CO 0.20 -1.46 2.02 -0.33 0.52 0.00 0.00 175.17 176.12 3dh8 h GLU 185 N 9.55 0.04 -0.01 4.34 5.08 -1.93 0.31 114.58 131.97 3dh8 h GLU 185 Ca -0.26 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 57.87 3dh8 h GLU 185 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3dh8 h GLU 185 CO 1.17 0.17 -0.94 0.00 -1.00 0.00 0.00 179.01 178.42 3dh8 h ALA 186 N 1.84 0.36 0.00 3.43 0.00 -1.96 -3.38 119.26 119.54 3dh8 h ALA 186 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3dh8 h ALA 186 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dh8 h ALA 186 CO 0.02 0.81 -0.73 0.39 0.00 0.00 0.00 179.25 179.73 3dh8 n GLU 187 N -3.76 2.91 -1.77 0.00 -0.58 -1.12 -5.03 120.64 111.30 3dh8 n GLU 187 Ca -0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 57.16 56.63 3dh8 n GLU 187 Cb 0.83 -0.98 -0.00 0.00 -0.57 0.00 0.00 31.44 30.72 3dh8 n GLU 187 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dh8 n GLY 188 N 1.50 0.36 3.26 0.62 0.00 0.08 -5.04 105.19 105.97 3dh8 n GLY 188 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 3dh8 n GLY 188 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dh8 s VAL 189 N -2.08 1.12 0.15 1.61 -7.23 -1.23 -4.95 120.40 107.80 3dh8 s VAL 189 Ca 0.00 -2.05 -0.22 0.00 -1.81 0.00 0.00 61.98 57.89 3dh8 s VAL 189 Cb 0.00 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 3dh8 s VAL 189 CO 0.00 -0.67 0.71 0.26 -0.31 0.00 0.00 175.10 175.08 3dh8 s TRP 190 N -3.36 3.82 -0.22 2.82 0.52 -1.26 -0.26 118.94 121.00 3dh8 s TRP 190 Ca 0.19 1.48 -0.06 0.00 0.02 0.00 0.00 56.10 57.73 3dh8 s TRP 190 Cb 0.03 -2.66 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 3dh8 s TRP 190 CO 0.02 0.50 0.02 1.03 0.02 0.00 0.00 176.95 178.54 3dh8 s ARG 191 N -1.32 3.59 0.37 4.98 1.81 0.07 -4.85 118.95 123.60 3dh8 s ARG 191 Ca 0.35 -0.52 -0.28 0.00 -1.72 0.00 0.00 55.73 53.57 3dh8 s ARG 191 Cb -0.21 -3.16 -0.10 0.00 -0.45 0.00 0.00 34.95 31.02 3dh8 s ARG 191 CO 0.23 -0.10 1.41 -2.14 -0.68 0.00 0.00 175.30 174.02 3dh8 s PRO 192 N 1.32 4.13 -0.62 3.54 0.02 -1.26 -1.01 135.00 141.13 3dh8 s PRO 192 Ca 0.04 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.54 3dh8 s PRO 192 Cb -0.15 -2.95 0.18 0.00 0.02 0.00 0.00 34.50 31.60 3dh8 s PRO 192 CO 0.01 -0.46 0.47 1.28 -0.33 0.00 0.00 177.00 177.98 3dh8 n LEU 193 N 0.47 2.06 -4.30 -5.54 4.77 -1.26 -4.81 117.00 108.39 3dh8 n LEU 193 Ca 0.01 -4.99 -0.46 0.00 -0.03 0.00 0.00 56.01 50.55 3dh8 n LEU 193 Cb 0.41 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3dh8 n LEU 193 CO 0.61 1.82 0.40 -0.69 -1.33 0.00 0.00 177.39 178.19 3dh8 s VAL 194 N -1.13 5.40 -1.52 4.08 1.01 -1.26 -4.32 120.40 122.67 3dh8 s VAL 194 Ca 0.28 -2.58 0.14 0.00 0.00 0.00 0.00 61.98 59.82 3dh8 s VAL 194 Cb -0.00 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 32.09 3dh8 s VAL 194 CO -0.17 -1.02 0.86 0.49 0.00 0.00 0.00 175.10 175.27 3dh8 n PHE 195 N 3.85 0.00 0.00 5.22 0.99 -1.16 -4.16 117.46 122.20 3dh8 n PHE 195 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 3dh8 n PHE 195 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.94 3dh8 n PHE 195 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3dh8 n ASP 196 N 0.38 0.00 -3.48 4.37 2.03 -0.44 -4.89 116.55 114.51 3dh8 n ASP 196 Ca 0.07 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.39 3dh8 n ASP 196 Cb 0.32 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 3dh8 n ASP 196 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dh8 s ASP 197 N -5.00 -1.23 0.13 1.67 -1.08 -0.55 -5.05 116.67 105.57 3dh8 s ASP 197 Ca 0.00 1.35 -0.14 0.00 -0.52 0.00 0.00 52.55 53.24 3dh8 s ASP 197 Cb 0.00 2.26 -0.03 0.00 -1.46 0.00 0.00 42.92 43.70 3dh8 s ASP 197 CO 0.00 -0.23 1.53 -0.03 0.52 0.00 0.00 175.17 176.96 3dh8 h MET 198 N 8.00 0.77 -0.65 4.34 1.85 -1.89 -1.80 114.93 125.55 3dh8 h MET 198 Ca -0.20 -0.29 -0.07 0.00 -0.61 0.00 0.00 59.70 58.53 3dh8 h MET 198 Cb 1.12 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 33.08 3dh8 h MET 198 CO 0.15 0.90 0.14 1.49 -0.40 0.00 0.00 176.91 179.20 3dh8 h GLU 199 N 0.59 1.05 -0.44 0.39 4.81 -1.97 -1.27 114.58 117.75 3dh8 h GLU 199 Ca 0.10 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3dh8 h GLU 199 Cb 0.62 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3dh8 h GLU 199 CO 0.04 0.94 -0.11 0.00 -0.73 0.00 0.00 179.01 179.15 3dh8 h ALA 200 N 1.16 0.60 -0.24 2.92 0.00 -1.84 0.02 119.26 121.88 3dh8 h ALA 200 Ca 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dh8 h ALA 200 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dh8 h ALA 200 CO 0.00 0.49 0.13 -0.92 0.00 0.00 0.00 179.25 178.96 3dh8 h TYR 201 N 0.67 0.33 -0.48 0.00 3.20 -0.79 0.05 116.97 119.95 3dh8 h TYR 201 Ca 0.11 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3dh8 h TYR 201 Cb 0.64 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3dh8 h TYR 201 CO 0.05 0.28 0.02 -0.07 -1.64 0.00 0.00 178.16 176.80 3dh8 h LEU 202 N 0.28 0.81 -1.23 2.82 3.38 -1.19 -2.34 115.31 117.84 3dh8 h LEU 202 Ca 0.08 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3dh8 h LEU 202 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3dh8 h LEU 202 CO -0.01 0.91 0.06 -0.08 0.09 0.00 0.00 178.44 179.40 3dh8 h GLU 203 N 0.69 0.58 -0.56 1.13 4.22 -0.73 -0.31 114.58 119.60 3dh8 h GLU 203 Ca 0.14 -0.11 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 3dh8 h GLU 203 Cb 0.48 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3dh8 h GLU 203 CO 0.02 0.57 0.10 0.77 -2.18 0.00 0.00 179.01 178.29 3dh8 h SER 204 N 0.57 0.88 -0.14 1.04 0.02 -0.85 -1.41 113.55 113.66 3dh8 h SER 204 Ca 0.13 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.69 3dh8 h SER 204 Cb 0.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3dh8 h SER 204 CO 0.00 0.91 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.17 3dh8 h LEU 205 N 0.81 0.68 -0.63 5.07 3.38 -0.83 0.09 115.31 123.89 3dh8 h LEU 205 Ca 0.17 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.97 3dh8 h LEU 205 Cb 0.40 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 3dh8 h LEU 205 CO 0.01 0.98 0.14 -0.33 0.09 0.00 0.00 178.44 179.33 3dh8 h GLU 206 N 0.54 0.26 -0.31 1.13 5.08 -0.79 -0.84 114.58 119.66 3dh8 h GLU 206 Ca 0.05 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3dh8 h GLU 206 Cb 0.87 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 3dh8 h GLU 206 CO 0.08 0.18 -0.36 0.00 -1.00 0.00 0.00 179.01 177.90 3dh8 h ARG 207 N 0.27 0.79 -0.01 2.33 3.08 -0.79 -2.98 114.38 117.07 3dh8 h ARG 207 Ca 0.33 -0.43 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3dh8 h ARG 207 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3dh8 h ARG 207 CO -0.42 1.06 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.19 3dh8 h LEU 208 N 0.55 0.02 -2.39 3.04 3.38 -0.74 -1.01 115.31 118.17 3dh8 h LEU 208 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dh8 h LEU 208 Cb 0.94 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3dh8 h LEU 208 CO 0.09 0.31 -0.01 1.56 0.09 0.00 0.00 178.44 180.47 3dh8 h GLN 209 N 0.02 0.00 -0.00 1.13 4.20 -0.99 -2.48 115.11 116.99 3dh8 h GLN 209 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dh8 h GLN 209 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3dh8 h GLN 209 CO 0.04 0.01 -0.05 0.54 -0.67 0.00 0.00 178.83 178.70 3dh8 n ARG 210 N -3.86 0.39 -1.43 1.46 1.74 -0.38 -4.88 116.66 109.69 3dh8 n ARG 210 Ca -0.03 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 3dh8 n ARG 210 Cb 0.10 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.14 3dh8 n ARG 210 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dh8 n LEU 211 N -1.26 5.15 -4.59 0.55 4.77 -0.94 -4.93 117.00 115.75 3dh8 n LEU 211 Ca 0.13 0.71 -0.41 0.00 -0.03 0.00 0.00 56.01 56.40 3dh8 n LEU 211 Cb 0.27 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 39.85 3dh8 n LEU 211 CO 0.25 -1.38 0.53 -2.65 -1.33 0.00 0.00 177.39 172.81 3dh8 n PRO 212 N -2.49 1.26 -1.59 3.23 -0.02 -1.26 -4.73 135.00 129.39 3dh8 n PRO 212 Ca 0.15 0.45 -0.61 0.00 -2.02 0.00 0.00 63.50 61.47 3dh8 n PRO 212 Cb 0.49 -1.98 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 3dh8 n PRO 212 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3dh8 n THR 213 N -0.53 0.01 -2.72 3.45 -1.04 -1.26 -4.88 114.28 107.31 3dh8 n THR 213 Ca 0.10 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.71 3dh8 n THR 213 Cb 0.39 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.60 3dh8 n THR 213 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dh8 s LEU 214 N 1.04 4.54 -0.22 -4.42 1.43 -1.26 -4.85 118.68 114.94 3dh8 s LEU 214 Ca 0.95 1.96 0.13 0.00 -1.03 0.00 0.00 54.13 56.13 3dh8 s LEU 214 Cb -1.31 -3.74 -0.22 0.00 0.03 0.00 0.00 46.19 40.95 3dh8 s LEU 214 CO 0.64 0.04 -0.03 0.18 0.23 0.00 0.00 176.35 177.42 3dh8 n LEU 215 N 1.16 1.02 -3.86 1.79 4.77 0.49 -3.51 117.00 118.85 3dh8 n LEU 215 Ca -0.01 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.73 3dh8 n LEU 215 Cb 0.48 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 3dh8 n LEU 215 CO 0.49 0.65 -0.40 -1.10 -1.33 0.00 0.00 177.39 175.70 3dh8 s GLN 216 N -2.50 0.71 -0.14 3.23 -0.21 -0.77 -3.87 119.66 116.11 3dh8 s GLN 216 Ca -0.18 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.15 3dh8 s GLN 216 Cb 0.07 -0.80 0.03 0.00 1.00 0.00 0.00 33.01 33.31 3dh8 s GLN 216 CO 0.75 -0.12 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.52 3dh8 s LEU 217 N 1.08 1.53 -0.48 2.90 2.96 0.40 -1.42 118.68 125.64 3dh8 s LEU 217 Ca -0.09 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 3dh8 s LEU 217 Cb -0.14 -1.05 0.13 0.00 0.50 0.00 0.00 46.19 45.64 3dh8 s LEU 217 CO -0.01 -0.09 0.24 -0.63 -1.32 0.00 0.00 176.35 174.54 3dh8 s ILE 218 N 1.57 2.16 0.56 6.68 1.01 0.19 -0.38 121.20 132.99 3dh8 s ILE 218 Ca 0.04 -3.01 -0.09 0.00 0.00 0.00 0.00 60.65 57.59 3dh8 s ILE 218 Cb -0.13 -2.51 0.13 0.00 0.01 0.00 0.00 42.46 39.97 3dh8 s ILE 218 CO -0.10 -0.82 0.66 -0.81 0.00 0.00 0.00 174.94 173.87 3dh8 n PRO 219 N 3.31 -1.19 0.14 2.79 -0.04 -1.26 -1.42 135.00 137.34 3dh8 n PRO 219 Ca 0.06 -1.03 0.13 0.00 -0.04 0.00 0.00 63.50 62.62 3dh8 n PRO 219 Cb 0.33 -0.77 0.47 0.00 -0.04 0.00 0.00 33.50 33.49 3dh8 n PRO 219 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3dh8 h GLY 220 N -1.18 0.00 -5.65 0.55 0.00 -0.67 -3.43 103.07 92.69 3dh8 h GLY 220 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.88 3dh8 h GLY 220 CO 0.15 0.00 -0.64 0.30 0.00 0.00 0.00 176.54 176.35 3dh8 s HIS 221 N -3.28 -0.07 0.00 5.60 3.76 -1.26 -4.27 115.29 115.77 3dh8 s HIS 221 Ca 0.06 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3dh8 s HIS 221 Cb 0.10 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.78 3dh8 s HIS 221 CO 0.49 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.74 3dh8 n GLY 222 N 3.24 0.12 0.00 -2.22 0.00 0.58 -4.66 105.19 102.25 3dh8 n GLY 222 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3dh8 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dh8 n GLY 223 N -1.90 -0.33 3.56 -0.02 0.00 -1.25 -4.68 105.19 100.57 3dh8 n GLY 223 Ca 0.00 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 3dh8 n GLY 223 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dh8 s LEU 224 N 0.00 3.50 -0.08 0.99 0.20 -0.03 -4.01 118.68 119.25 3dh8 s LEU 224 Ca 0.00 -0.03 -0.01 0.00 0.69 0.00 0.00 54.13 54.78 3dh8 s LEU 224 Cb 0.00 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3dh8 s LEU 224 CO 0.00 0.19 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.46 3dh8 s LEU 225 N 0.28 3.40 0.36 -0.68 1.43 0.49 -0.36 118.68 123.61 3dh8 s LEU 225 Ca -0.00 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3dh8 s LEU 225 Cb -0.13 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3dh8 s LEU 225 CO 0.02 0.36 0.25 0.00 0.23 0.00 0.00 176.35 177.21 3dh8 s ARG 226 N -0.81 1.83 4.80 1.70 1.70 -0.01 -0.46 118.95 127.70 3dh8 s ARG 226 Ca 0.12 -2.08 0.00 0.00 -0.47 0.00 0.00 55.73 53.30 3dh8 s ARG 226 Cb -0.11 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 3dh8 s ARG 226 CO 0.02 -0.63 0.00 0.41 -1.08 0.00 0.00 175.30 174.02 3dh8 n GLY 227 N -0.72 1.80 0.31 3.88 0.00 -1.25 -1.96 105.19 107.25 3dh8 n GLY 227 Ca 0.04 -0.53 0.16 0.00 0.00 0.00 0.00 46.02 45.70 3dh8 n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dh8 h ARG 228 N 0.00 0.00 -0.15 1.61 0.11 -1.95 -1.83 114.38 112.17 3dh8 h ARG 228 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 3dh8 h ARG 228 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3dh8 h ARG 228 CO 0.00 0.00 -0.35 -0.07 0.10 0.00 0.00 179.97 179.65 3dh8 h LEU 229 N 0.00 0.33 0.10 0.08 3.38 -1.74 -0.39 115.31 117.07 3dh8 h LEU 229 Ca 0.02 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 3dh8 h LEU 229 Cb 0.12 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.80 3dh8 h LEU 229 CO -0.00 0.66 -0.75 0.00 0.09 0.00 0.00 178.44 178.44 3dh8 h ALA 230 N 1.36 -0.04 -0.89 1.53 0.00 -1.30 -2.65 119.26 117.28 3dh8 h ALA 230 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3dh8 h ALA 230 Cb 0.75 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3dh8 h ALA 230 CO 0.06 0.37 0.53 0.00 0.00 0.00 0.00 179.25 180.21 3dh8 h ALA 231 N 0.16 1.26 -0.32 0.00 0.00 -1.19 -2.78 119.26 116.39 3dh8 h ALA 231 Ca -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dh8 h ALA 231 Cb 1.54 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3dh8 h ALA 231 CO 0.14 0.63 0.00 -0.25 0.00 0.00 0.00 179.25 179.77 3dh8 n ASP 232 N -4.36 3.33 0.16 0.00 8.00 -0.17 -4.67 116.55 118.83 3dh8 n ASP 232 Ca 0.10 -1.97 -0.14 0.00 0.71 0.00 0.00 54.79 53.49 3dh8 n ASP 232 Cb 0.06 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 3dh8 n ASP 232 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3dh8 h GLY 233 N 4.33 -0.48 1.08 0.44 0.00 -1.17 0.32 103.07 107.60 3dh8 h GLY 233 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3dh8 h GLY 233 CO 0.00 -0.21 0.28 0.00 0.00 0.00 0.00 176.54 176.62 3dh8 h ALA 234 N 0.24 1.05 -0.29 3.60 0.00 -1.85 0.35 119.26 122.36 3dh8 h ALA 234 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3dh8 h ALA 234 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dh8 h ALA 234 CO -0.05 0.66 0.05 1.49 0.00 0.00 0.00 179.25 181.40 3dh8 h GLU 235 N 1.12 0.48 -0.66 0.00 4.81 -1.81 -1.74 114.58 116.78 3dh8 h GLU 235 Ca 0.25 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3dh8 h GLU 235 Cb 0.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3dh8 h GLU 235 CO -0.02 0.57 0.24 0.77 -0.73 0.00 0.00 179.01 179.85 3dh8 h SER 236 N 0.30 0.93 -0.78 1.04 0.02 -0.61 -1.04 113.55 113.41 3dh8 h SER 236 Ca 0.09 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3dh8 h SER 236 Cb 0.32 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 3dh8 h SER 236 CO 0.00 0.87 0.48 0.00 -1.14 0.00 0.00 176.83 177.04 3dh8 h ALA 237 N 1.10 1.06 -0.09 3.77 0.00 -0.83 0.44 119.26 124.70 3dh8 h ALA 237 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dh8 h ALA 237 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dh8 h ALA 237 CO -0.01 0.21 0.04 -0.92 0.00 0.00 0.00 179.25 178.57 3dh8 h TYR 238 N 0.88 0.14 -0.42 0.00 3.20 -0.84 -1.96 116.97 117.96 3dh8 h TYR 238 Ca 0.34 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.26 3dh8 h TYR 238 Cb 0.14 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3dh8 h TYR 238 CO -0.05 0.24 0.12 1.15 -1.64 0.00 0.00 178.16 177.99 3dh8 h THR 239 N 0.00 0.83 -0.08 1.81 2.02 -0.88 -2.36 112.91 114.25 3dh8 h THR 239 Ca 0.03 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 3dh8 h THR 239 Cb 0.16 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3dh8 h THR 239 CO -0.00 0.05 -0.27 -0.33 0.37 0.00 0.00 175.52 175.34 3dh8 h GLU 240 N 0.27 0.14 -0.36 6.66 4.39 -0.84 -1.61 114.58 123.24 3dh8 h GLU 240 Ca 0.20 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3dh8 h GLU 240 Cb 0.21 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3dh8 h GLU 240 CO -0.23 0.41 0.14 0.00 -1.16 0.00 0.00 179.01 178.17 3dh8 h LEU 242 N 0.43 0.52 -0.68 0.00 3.38 -1.31 -1.30 115.31 116.35 3dh8 h LEU 242 Ca 0.12 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3dh8 h LEU 242 Cb 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dh8 h LEU 242 CO -0.01 0.61 -0.09 -0.09 0.09 0.00 0.00 178.44 178.95 3dh8 h ARG 243 N 0.52 0.92 -0.53 1.13 2.43 -1.11 -1.59 114.38 116.15 3dh8 h ARG 243 Ca 0.11 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 3dh8 h ARG 243 Cb 0.39 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3dh8 h ARG 243 CO 0.02 0.97 -0.09 1.25 -1.51 0.00 0.00 179.97 180.61 3dh8 h LEU 244 N 0.83 1.00 -0.22 3.80 5.85 -0.93 -1.34 115.31 124.30 3dh8 h LEU 244 Ca 0.14 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3dh8 h LEU 244 Cb 0.62 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3dh8 h LEU 244 CO 0.04 1.11 0.00 0.00 -0.34 0.00 0.00 178.44 179.26 3dh8 h ARG 246 N 0.07 0.43 -0.28 0.00 3.08 -1.08 -1.11 114.38 115.50 3dh8 h ARG 246 Ca 0.11 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3dh8 h ARG 246 Cb 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3dh8 h ARG 246 CO -0.18 0.61 0.10 -0.09 -1.07 0.00 0.00 179.97 179.34 3dh8 h ARG 247 N 0.39 0.42 -0.35 0.04 2.43 -0.80 -0.01 114.38 116.51 3dh8 h ARG 247 Ca 0.07 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3dh8 h ARG 247 Cb 0.56 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3dh8 h ARG 247 CO 0.04 0.46 0.05 1.25 -1.51 0.00 0.00 179.97 180.26 3dh8 h LEU 248 N 0.30 -0.03 -0.64 3.80 5.85 -0.91 -1.29 115.31 122.38 3dh8 h LEU 248 Ca 0.09 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3dh8 h LEU 248 Cb 0.20 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3dh8 h LEU 248 CO -0.01 0.02 0.42 0.25 -0.34 0.00 0.00 178.44 178.78 3dh8 h LEU 249 N 0.16 0.75 -0.12 2.25 5.85 -0.88 -0.31 115.31 123.00 3dh8 h LEU 249 Ca 0.17 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3dh8 h LEU 249 Cb 0.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3dh8 h LEU 249 CO -0.23 0.55 -0.09 -0.25 -0.34 0.00 0.00 178.44 178.08 3dh8 h TRP 250 N 0.87 -0.21 -0.03 1.25 2.91 -0.74 0.19 115.95 120.20 3dh8 h TRP 250 Ca 0.23 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.24 3dh8 h TRP 250 Cb -0.08 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3dh8 h TRP 250 CO -0.03 -0.13 -0.10 0.00 -1.03 0.00 0.00 178.44 177.15 3dh8 h ARG 251 N -0.09 0.12 -1.00 2.65 3.08 -0.94 -1.98 114.38 116.22 3dh8 h ARG 251 Ca 0.08 -0.09 0.17 0.00 0.07 0.00 0.00 59.98 60.21 3dh8 h ARG 251 Cb 0.20 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.17 3dh8 h ARG 251 CO -0.18 0.71 0.62 1.96 -1.07 0.00 0.00 179.97 182.01 3dh8 h GLN 252 N -0.44 0.81 0.00 0.04 4.20 -1.09 0.59 115.11 119.22 3dh8 h GLN 252 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dh8 h GLN 252 Cb 0.72 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3dh8 h GLN 252 CO 0.02 0.54 0.00 0.77 -0.67 0.00 0.00 178.83 179.49 3dh8 h SER 253 N 0.83 0.00 -0.52 1.46 0.02 -0.47 0.19 113.55 115.07 3dh8 h SER 253 Ca 0.56 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.39 3dh8 h SER 253 Cb 0.77 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 3dh8 h SER 253 CO -0.35 0.00 0.14 0.23 -1.14 0.00 0.00 176.83 175.71 3dh8 n MET 254 N -2.51 3.36 -1.61 3.45 2.81 0.10 -4.92 117.12 117.80 3dh8 n MET 254 Ca 0.00 -2.32 -0.16 0.00 -1.81 0.00 0.00 57.70 53.41 3dh8 n MET 254 Cb 0.17 -2.02 -0.06 0.00 -0.71 0.00 0.00 33.22 30.60 3dh8 n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dh8 n GLY 255 N 0.13 1.29 3.84 3.03 0.00 0.67 -5.01 105.19 109.14 3dh8 n GLY 255 Ca 0.28 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3dh8 n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dh8 s GLU 256 N -3.60 3.69 0.49 1.61 2.02 -0.60 -4.97 118.70 117.34 3dh8 s GLU 256 Ca 0.00 0.97 -0.04 0.00 0.02 0.00 0.00 54.97 55.92 3dh8 s GLU 256 Cb 0.00 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 3dh8 s GLU 256 CO 0.00 -0.49 0.78 -1.54 0.02 0.00 0.00 175.26 174.03 3dh8 s SER 257 N -3.26 6.03 0.66 -0.19 1.04 -1.26 -4.37 113.70 112.35 3dh8 s SER 257 Ca 0.59 0.74 0.20 0.00 0.48 0.00 0.00 55.95 57.96 3dh8 s SER 257 Cb -0.12 -1.99 1.07 0.00 0.10 0.00 0.00 66.02 65.09 3dh8 s SER 257 CO 0.38 -0.70 1.60 -0.07 0.98 0.00 0.00 173.24 175.43 3dh8 h LEU 258 N 0.19 0.00 0.00 2.42 3.38 -2.00 -2.67 115.31 116.64 3dh8 h LEU 258 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3dh8 h LEU 258 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3dh8 h LEU 258 CO 0.61 0.00 -0.69 0.44 0.09 0.00 0.00 178.44 178.89 3dh8 h ASP 259 N 0.00 0.00 -0.37 -0.43 3.32 -1.99 -2.89 116.42 114.07 3dh8 h ASP 259 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3dh8 h ASP 259 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3dh8 h ASP 259 CO -0.00 0.32 0.00 -0.33 -1.72 0.00 0.00 179.24 177.51 3dh8 h GLU 260 N 0.00 0.64 -0.00 3.56 5.08 -1.86 0.10 114.58 122.11 3dh8 h GLU 260 Ca -0.04 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 3dh8 h GLU 260 Cb 1.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3dh8 h GLU 260 CO 0.03 0.75 -0.80 1.25 -1.00 0.00 0.00 179.01 179.24 3dh8 h LEU 261 N 0.46 0.05 0.18 1.33 5.85 -1.71 -0.37 115.31 121.10 3dh8 h LEU 261 Ca 0.10 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3dh8 h LEU 261 Cb 0.45 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3dh8 h LEU 261 CO 0.02 0.82 -0.09 0.28 -0.34 0.00 0.00 178.44 179.13 3dh8 h SER 262 N 0.02 -0.21 -0.73 1.25 0.02 -1.25 0.65 113.55 113.29 3dh8 h SER 262 Ca -0.01 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3dh8 h SER 262 Cb 1.41 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 3dh8 h SER 262 CO 0.11 0.07 0.48 -0.33 -1.14 0.00 0.00 176.83 176.02 3dh8 h GLU 263 N -0.50 0.94 -0.53 3.45 3.07 -0.79 0.99 114.58 121.20 3dh8 h GLU 263 Ca -0.03 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3dh8 h GLU 263 Cb 0.38 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 3dh8 h GLU 263 CO 0.04 0.62 0.29 1.49 -1.40 0.00 0.00 179.01 180.06 3dh8 h GLU 264 N 0.96 0.56 -0.36 2.33 4.57 -0.56 0.13 114.58 122.22 3dh8 h GLU 264 Ca 0.28 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.32 3dh8 h GLU 264 Cb -0.07 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 3dh8 h GLU 264 CO -0.08 0.37 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.88 3dh8 h LEU 265 N 0.58 0.77 -1.12 1.64 3.38 0.12 0.12 115.31 120.80 3dh8 h LEU 265 Ca 0.22 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3dh8 h LEU 265 Cb 0.08 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3dh8 h LEU 265 CO -0.13 1.01 0.60 -0.74 0.09 0.00 0.00 178.44 179.27 3dh8 h HIS 266 N 0.54 1.08 -0.13 1.13 2.76 0.12 0.61 115.15 121.27 3dh8 h HIS 266 Ca 0.08 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 58.05 3dh8 h HIS 266 Cb 0.72 -0.36 0.01 0.00 1.55 0.00 0.00 27.41 29.33 3dh8 h HIS 266 CO 0.06 0.57 -0.82 0.00 -1.30 0.00 0.00 177.93 176.44 3dh8 h ARG 267 N 1.07 0.79 -0.01 5.26 -0.00 -0.65 0.33 114.38 121.17 3dh8 h ARG 267 Ca 0.40 -0.67 -0.16 0.00 -0.50 0.00 0.00 59.98 59.04 3dh8 h ARG 267 Cb 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.27 3dh8 h ARG 267 CO -0.15 1.27 -0.75 0.00 0.00 0.00 0.00 179.97 180.34 3dh8 h ALA 268 N 0.53 0.74 0.00 0.04 0.00 -0.42 -3.38 119.26 116.76 3dh8 h ALA 268 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3dh8 h ALA 268 Cb 1.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3dh8 h ALA 268 CO 0.17 0.90 -0.18 0.91 0.00 0.00 0.00 179.25 181.05 3dh8 n TRP 269 N -3.68 0.00 0.29 0.00 8.01 0.18 -4.79 117.44 117.44 3dh8 n TRP 269 Ca -0.01 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.36 3dh8 n TRP 269 Cb 0.72 0.00 0.76 0.00 -2.01 0.00 0.00 31.31 30.78 3dh8 n TRP 269 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 3dh8 h GLY 270 N 0.00 0.00 2.00 6.99 0.00 -0.45 -3.14 103.07 108.47 3dh8 h GLY 270 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3dh8 h GLY 270 CO 0.00 0.00 -0.59 -1.33 0.00 0.00 0.00 176.54 174.62 3dh8 h GLY 271 N 1.77 0.00 1.61 4.60 0.00 -1.84 -3.06 103.07 106.16 3dh8 h GLY 271 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3dh8 h GLY 271 CO 0.00 0.00 -0.13 -1.61 0.00 0.00 0.00 176.54 174.80 3dh8 h GLN 272 N 0.00 0.47 -0.32 4.80 4.15 -1.92 -3.24 115.11 119.05 3dh8 h GLN 272 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3dh8 h GLN 272 Cb 1.06 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3dh8 h GLN 272 CO 0.08 0.60 0.00 -1.13 -1.93 0.00 0.00 178.83 176.44 3dh8 n SER 273 N -4.21 2.99 0.30 -0.69 3.41 -1.16 -4.62 113.62 109.64 3dh8 n SER 273 Ca 0.00 -1.88 0.17 0.00 -0.26 0.00 0.00 58.87 56.91 3dh8 n SER 273 Cb 0.32 -0.20 0.97 0.00 -0.26 0.00 0.00 64.21 65.04 3dh8 n SER 273 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3dh8 h VAL 274 N 3.17 0.37 0.00 -3.33 3.04 -1.57 0.10 116.25 118.04 3dh8 h VAL 274 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3dh8 h VAL 274 Cb 0.79 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3dh8 h VAL 274 CO 0.00 0.02 -0.18 -0.67 -1.01 0.00 0.00 177.57 175.72 3dh8 n ASP 275 N -3.58 0.76 0.00 3.17 2.03 -1.26 -4.17 116.55 113.49 3dh8 n ASP 275 Ca -0.03 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.72 3dh8 n ASP 275 Cb 0.11 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 3dh8 n ASP 275 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 3dh8 n PHE 276 N -2.19 0.00 -4.07 -0.67 1.16 0.08 -4.99 117.46 106.78 3dh8 n PHE 276 Ca 0.05 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.30 3dh8 n PHE 276 Cb 0.43 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.15 3dh8 n PHE 276 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3dh8 s LEU 277 N -0.72 3.00 0.30 5.98 1.02 0.12 -5.00 118.68 123.38 3dh8 s LEU 277 Ca 0.00 -1.09 -0.27 0.00 0.02 0.00 0.00 54.13 52.78 3dh8 s LEU 277 Cb 0.00 -1.54 -0.14 0.00 0.02 0.00 0.00 46.19 44.53 3dh8 s LEU 277 CO 0.00 -0.12 0.95 -2.65 0.02 0.00 0.00 176.35 174.54 3dh8 n PRO 278 N 4.52 1.21 -0.31 1.29 -0.02 -1.26 -4.58 135.00 135.86 3dh8 n PRO 278 Ca -0.17 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 3dh8 n PRO 278 Cb 0.45 -1.78 0.12 0.00 -0.02 0.00 0.00 33.50 32.27 3dh8 n PRO 278 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dh8 h GLY 279 N 1.80 1.25 1.72 -1.23 0.00 -1.96 0.36 103.07 105.02 3dh8 h GLY 279 Ca -0.39 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.54 3dh8 h GLY 279 CO 0.59 0.32 0.17 0.83 0.00 0.00 0.00 176.54 178.46 3dh8 h GLU 280 N 1.03 0.31 -0.21 4.80 4.39 -2.00 -1.90 114.58 121.00 3dh8 h GLU 280 Ca 0.35 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.82 3dh8 h GLU 280 Cb 0.07 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3dh8 h GLU 280 CO -0.14 0.21 -0.68 1.25 -1.16 0.00 0.00 179.01 178.49 3dh8 h LEU 281 N 0.32 0.97 0.10 1.33 5.85 -0.65 -1.99 115.31 121.25 3dh8 h LEU 281 Ca 0.10 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3dh8 h LEU 281 Cb 0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 3dh8 h LEU 281 CO -0.02 1.39 -0.05 -0.74 -0.34 0.00 0.00 178.44 178.68 3dh8 h HIS 282 N 0.60 -0.13 -0.80 1.25 2.76 -0.80 0.54 115.15 118.57 3dh8 h HIS 282 Ca -0.02 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3dh8 h HIS 282 Cb 1.30 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.26 3dh8 h HIS 282 CO 0.08 0.07 0.53 1.25 -1.30 0.00 0.00 177.93 178.56 3dh8 h LEU 283 N -0.31 0.88 -0.40 0.26 5.85 -1.45 0.15 115.31 120.29 3dh8 h LEU 283 Ca -0.01 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.51 3dh8 h LEU 283 Cb 0.25 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3dh8 h LEU 283 CO 0.02 0.62 -0.70 1.23 -0.34 0.00 0.00 178.44 179.28 3dh8 h GLY 284 N 1.03 0.53 0.99 3.75 0.00 -1.07 -1.15 103.07 107.16 3dh8 h GLY 284 Ca 0.31 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3dh8 h GLY 284 CO -0.08 0.64 0.28 1.76 0.00 0.00 0.00 176.54 179.14 3dh8 h SER 285 N 0.34 0.80 -0.35 0.19 0.02 0.11 -0.99 113.55 113.67 3dh8 h SER 285 Ca -0.02 -0.14 0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3dh8 h SER 285 Cb 1.27 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 3dh8 h SER 285 CO 0.12 0.71 -0.06 0.24 -1.14 0.00 0.00 176.83 176.71 3dh8 h MET 286 N 0.83 0.03 -0.46 3.45 2.07 -0.46 -0.84 114.93 119.55 3dh8 h MET 286 Ca 0.21 -0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.84 3dh8 h MET 286 Cb 0.14 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.84 3dh8 h MET 286 CO -0.02 0.02 0.30 -0.09 1.07 0.00 0.00 176.91 178.18 3dh8 h ARG 287 N 0.03 0.59 -0.71 1.72 9.65 -1.07 -0.38 114.38 124.20 3dh8 h ARG 287 Ca 0.17 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3dh8 h ARG 287 Cb 0.25 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 3dh8 h ARG 287 CO -0.34 0.39 0.30 -0.09 2.80 0.00 0.00 179.97 183.03 3dh8 h ARG 288 N 0.60 1.06 -0.68 0.20 2.43 -0.90 0.15 114.38 117.23 3dh8 h ARG 288 Ca 0.17 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3dh8 h ARG 288 Cb -0.05 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 3dh8 h ARG 288 CO -0.05 0.86 0.24 1.98 -1.51 0.00 0.00 179.97 181.48 3dh8 h MET 289 N 1.01 1.05 -0.08 0.20 4.05 -0.68 -1.16 114.93 119.32 3dh8 h MET 289 Ca 0.24 -0.21 -0.15 0.00 -0.28 0.00 0.00 59.70 59.30 3dh8 h MET 289 Cb 0.18 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3dh8 h MET 289 CO -0.02 0.89 -0.60 -0.07 0.23 0.00 0.00 176.91 177.34 3dh8 h LEU 290 N 0.99 0.31 -0.50 3.39 3.38 -0.31 -0.90 115.31 121.67 3dh8 h LEU 290 Ca 0.22 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dh8 h LEU 290 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dh8 h LEU 290 CO -0.01 0.84 0.30 -0.33 0.09 0.00 0.00 178.44 179.33 3dh8 h GLU 291 N 0.20 0.59 0.06 1.13 5.08 -0.75 0.21 114.58 121.11 3dh8 h GLU 291 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dh8 h GLU 291 Cb 1.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3dh8 h GLU 291 CO 0.10 0.39 -0.03 0.82 -1.00 0.00 0.00 179.01 179.29 3dh8 h ILE 292 N 0.61 1.00 -0.86 3.13 2.04 -0.68 -0.96 117.51 121.80 3dh8 h ILE 292 Ca 0.20 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3dh8 h ILE 292 Cb -0.00 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3dh8 h ILE 292 CO -0.08 0.05 0.49 -0.07 0.00 0.00 0.00 178.15 178.54 3dh8 h LEU 293 N -0.18 1.05 -0.20 1.44 3.38 -1.11 -1.98 115.31 117.71 3dh8 h LEU 293 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3dh8 h LEU 293 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dh8 h LEU 293 CO 0.01 0.83 0.08 0.28 0.09 0.00 0.00 178.44 179.74 3dh8 h SER 294 N 1.19 0.28 -0.90 -0.43 0.02 -0.73 -2.94 113.55 110.05 3dh8 h SER 294 Ca 0.31 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3dh8 h SER 294 Cb -0.00 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3dh8 h SER 294 CO -0.05 0.36 0.52 0.03 -1.14 0.00 0.00 176.83 176.55 3dh8 h ARG 295 N 0.18 1.23 -1.02 3.45 3.08 -0.86 -2.93 114.38 117.50 3dh8 h ARG 295 Ca 0.07 -0.12 -0.68 0.00 0.07 0.00 0.00 59.98 59.31 3dh8 h ARG 295 Cb 0.17 -0.25 -0.29 0.00 0.08 0.00 0.00 29.97 29.68 3dh8 h ARG 295 CO -0.01 0.88 0.86 1.04 -1.07 0.00 0.00 179.97 181.67 3dh8 n GLN 296 N -4.35 2.70 0.00 0.04 6.02 -0.77 -5.11 117.38 115.91 3dh8 n GLN 296 Ca 0.10 -3.31 0.00 0.00 -0.01 0.00 0.00 57.00 53.78 3dh8 n GLN 296 Cb 0.08 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.05 3dh8 n GLN 296 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05