#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m61 n SER 902 N 0.00 -2.52 -1.34 1.61 3.41 -1.26 -4.76 113.62 108.76 1m61 n SER 902 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1m61 n SER 902 Cb 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1m61 n SER 902 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1m61 n HIS 903 N -4.30 -1.94 -4.23 7.33 -0.00 -1.21 -4.96 115.22 105.89 1m61 n HIS 903 Ca 0.00 1.16 -0.26 0.00 0.46 0.00 0.00 57.72 59.09 1m61 n HIS 903 Cb 0.63 -2.70 -0.08 0.00 -0.12 0.00 0.00 29.99 27.72 1m61 n HIS 903 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1m61 s MET 1 N -1.75 2.36 0.33 1.57 -2.45 0.64 -4.90 119.30 115.11 1m61 s MET 1 Ca 0.00 -1.19 -0.27 0.00 -1.25 0.00 0.00 55.69 52.99 1m61 s MET 1 Cb 0.00 -2.30 -0.09 0.00 1.25 0.00 0.00 34.83 33.68 1m61 s MET 1 CO 0.00 0.43 1.04 -1.25 1.05 0.00 0.00 175.02 176.30 1m61 s PRO 2 N -3.11 4.45 0.24 4.11 0.04 -1.26 -4.75 135.00 134.72 1m61 s PRO 2 Ca 0.28 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1m61 s PRO 2 Cb -0.09 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 1m61 s PRO 2 CO 0.19 0.10 1.04 0.34 0.04 0.00 0.00 177.00 178.70 1m61 s ASP 3 N -1.29 7.41 0.00 6.66 -1.08 -1.26 -4.92 116.67 122.19 1m61 s ASP 3 Ca 0.51 2.10 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 1m61 s ASP 3 Cb -0.25 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.59 1m61 s ASP 3 CO 0.32 -0.05 0.75 -2.65 0.52 0.00 0.00 175.17 174.06 1m61 n PRO 4 N 1.60 0.00 -0.48 4.34 -0.02 -1.26 -0.42 135.00 138.75 1m61 n PRO 4 Ca -0.01 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1m61 n PRO 4 Cb 0.46 -1.70 0.27 0.00 -0.02 0.00 0.00 33.50 32.51 1m61 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m61 n ALA 5 N -1.25 3.03 0.09 3.55 0.00 -1.26 -4.71 120.51 119.97 1m61 n ALA 5 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 53.44 51.21 1m61 n ALA 5 Cb 0.20 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1m61 n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m61 h ALA 6 N 2.22 -0.30 -0.54 0.00 0.00 -1.12 -2.69 119.26 116.82 1m61 h ALA 6 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1m61 h ALA 6 Cb 1.44 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1m61 h ALA 6 CO 0.24 -0.71 0.59 1.12 0.00 0.00 0.00 179.25 180.49 1m61 h HIS 7 N -0.35 0.00 -3.10 0.00 2.07 -1.84 -3.42 115.15 108.50 1m61 h HIS 7 Ca 0.03 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.03 1m61 h HIS 7 Cb 0.39 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.42 1m61 h HIS 7 CO -0.20 0.00 0.82 -0.51 -3.07 0.00 0.00 177.93 174.97 1m61 s LEU 8 N -7.25 4.37 0.33 6.12 1.43 -1.01 -4.91 118.68 117.76 1m61 s LEU 8 Ca -0.04 2.66 0.09 0.00 -1.03 0.00 0.00 54.13 55.80 1m61 s LEU 8 Cb 0.15 -3.61 0.58 0.00 0.03 0.00 0.00 46.19 43.35 1m61 s LEU 8 CO 0.54 -0.77 1.77 -0.65 0.23 0.00 0.00 176.35 177.46 1m61 h PRO 9 N 5.90 0.17 -0.75 1.29 0.11 -1.89 -3.15 132.00 133.68 1m61 h PRO 9 Ca -0.44 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1m61 h PRO 9 Cb 1.21 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1m61 h PRO 9 CO 0.85 0.51 0.20 1.97 -0.21 0.00 0.00 178.00 181.31 1m61 n PHE 10 N -4.09 2.20 -3.66 0.65 1.16 -1.26 -1.51 117.46 110.96 1m61 n PHE 10 Ca -0.01 -1.02 -0.38 0.00 -1.87 0.00 0.00 57.45 54.17 1m61 n PHE 10 Cb 0.42 -0.62 -0.12 0.00 -1.61 0.00 0.00 39.48 37.56 1m61 n PHE 10 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1m61 s PHE 11 N -2.73 3.17 -1.59 2.97 5.36 -1.19 0.05 117.98 124.02 1m61 s PHE 11 Ca 0.50 -0.45 0.24 0.00 -0.96 0.00 0.00 56.93 56.26 1m61 s PHE 11 Cb 0.40 -2.34 0.31 0.00 -0.34 0.00 0.00 43.02 41.05 1m61 s PHE 11 CO 0.13 -0.40 1.28 0.66 -1.46 0.00 0.00 175.22 175.43 1m61 n TYR 12 N 4.99 0.00 -4.13 10.12 4.02 0.85 -4.26 117.16 128.75 1m61 n TYR 12 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1m61 n TYR 12 Cb 0.50 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1m61 n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1m61 n GLY 13 N 1.42 -1.13 3.53 2.72 0.00 -1.26 -2.51 105.19 107.96 1m61 n GLY 13 Ca 0.09 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1m61 n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m61 n SER 14 N -0.33 3.77 -3.42 1.61 2.88 -0.06 -1.51 113.62 116.57 1m61 n SER 14 Ca 0.00 -2.79 -0.15 0.00 -1.33 0.00 0.00 58.87 54.61 1m61 n SER 14 Cb 0.00 -1.71 -0.01 0.00 -0.75 0.00 0.00 64.21 61.73 1m61 n SER 14 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1m61 n ILE 15 N 7.10 0.00 -3.98 2.46 -5.35 -1.26 -4.65 119.36 113.68 1m61 n ILE 15 Ca 0.47 -1.17 -0.21 0.00 -0.27 0.00 0.00 62.75 61.57 1m61 n ILE 15 Cb 0.46 -0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.29 1m61 n ILE 15 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1m61 s SER 16 N -2.56 5.98 0.23 7.28 1.04 -1.26 -4.89 113.70 119.52 1m61 s SER 16 Ca 0.09 -0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 1m61 s SER 16 Cb -0.01 -1.63 0.38 0.00 0.10 0.00 0.00 66.02 64.86 1m61 s SER 16 CO 0.06 -0.09 1.73 -0.09 0.98 0.00 0.00 173.24 175.82 1m61 h ARG 17 N 1.27 0.40 0.05 4.02 2.43 -1.99 -1.58 114.38 118.97 1m61 h ARG 17 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1m61 h ARG 17 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1m61 h ARG 17 CO 0.60 0.26 -0.22 0.00 -1.51 0.00 0.00 179.97 179.10 1m61 h ALA 18 N 1.50 -0.75 -0.97 2.80 0.00 -1.97 1.22 119.26 121.09 1m61 h ALA 18 Ca 0.37 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.44 1m61 h ALA 18 Cb 0.52 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1m61 h ALA 18 CO -0.37 -0.80 0.62 0.93 0.00 0.00 0.00 179.25 179.63 1m61 h GLU 19 N -0.32 0.49 -0.23 0.00 5.08 -1.90 0.26 114.58 117.97 1m61 h GLU 19 Ca -0.00 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1m61 h GLU 19 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1m61 h GLU 19 CO -0.12 0.33 -0.57 0.00 -1.00 0.00 0.00 179.01 177.64 1m61 h ALA 20 N 1.62 0.38 0.00 3.43 0.00 -0.51 -1.24 119.26 122.94 1m61 h ALA 20 Ca 0.53 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1m61 h ALA 20 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1m61 h ALA 20 CO -0.26 0.61 -0.19 0.93 0.00 0.00 0.00 179.25 180.34 1m61 h GLU 21 N 0.55 0.00 0.05 0.00 5.08 0.45 -2.68 114.58 118.02 1m61 h GLU 21 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1m61 h GLU 21 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1m61 h GLU 21 CO 0.13 0.19 -0.02 1.49 -1.00 0.00 0.00 179.01 179.79 1m61 h GLU 22 N 0.00 -0.06 -1.12 2.33 4.81 -0.38 -2.51 114.58 117.64 1m61 h GLU 22 Ca -0.00 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.55 1m61 h GLU 22 Cb 0.38 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.68 1m61 h GLU 22 CO 0.02 0.57 0.73 0.45 -0.73 0.00 0.00 179.01 180.05 1m61 h HIS 23 N -0.84 0.58 0.00 0.92 3.86 -1.07 1.03 115.15 119.63 1m61 h HIS 23 Ca -0.01 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 1m61 h HIS 23 Cb 0.66 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1m61 h HIS 23 CO 0.16 -0.01 -0.65 -0.07 0.86 0.00 0.00 177.93 178.22 1m61 h LEU 24 N 0.29 0.00 -0.61 2.43 3.38 -1.52 -3.15 115.31 116.12 1m61 h LEU 24 Ca 0.65 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.47 1m61 h LEU 24 Cb 1.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1m61 h LEU 24 CO -0.31 0.65 -0.60 0.11 0.09 0.00 0.00 178.44 178.38 1m61 h LYS 25 N 0.00 0.30 -1.00 1.13 1.57 0.15 -2.83 116.57 115.88 1m61 h LYS 25 Ca -0.01 -0.21 -0.38 0.00 -1.87 0.00 0.00 60.65 58.18 1m61 h LYS 25 Cb 1.43 0.03 -0.23 0.00 0.08 0.00 0.00 32.23 33.55 1m61 h LYS 25 CO 0.08 0.81 0.49 1.28 -0.57 0.00 0.00 179.45 181.54 1m61 n LEU 26 N -3.88 5.77 0.00 2.94 4.77 0.19 -3.99 117.00 122.80 1m61 n LEU 26 Ca -0.03 -3.06 0.00 0.00 -0.03 0.00 0.00 56.01 52.90 1m61 n LEU 26 Cb 0.62 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1m61 n LEU 26 CO 0.45 0.91 0.17 0.00 -1.33 0.00 0.00 177.39 177.59 1m61 n ALA 27 N -0.70 0.90 0.00 -1.18 0.00 -1.07 -5.01 120.51 113.45 1m61 n ALA 27 Ca 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1m61 n ALA 27 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.80 1m61 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m61 n GLY 28 N -0.05 3.38 2.08 0.00 0.00 -1.24 -4.83 105.19 104.53 1m61 n GLY 28 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 1m61 n GLY 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1m61 n MET 29 N 0.00 -0.25 -2.84 1.61 2.81 -1.23 -5.04 117.12 112.18 1m61 n MET 29 Ca 0.00 0.39 -0.28 0.00 -1.81 0.00 0.00 57.70 56.00 1m61 n MET 29 Cb 0.00 -4.06 -0.01 0.00 -0.71 0.00 0.00 33.22 28.44 1m61 n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1m61 s ALA 30 N -2.15 3.43 0.27 3.04 0.00 -1.26 -4.25 121.76 120.85 1m61 s ALA 30 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1m61 s ALA 30 Cb 0.00 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.43 1m61 s ALA 30 CO 0.00 -0.15 1.36 -0.25 0.00 0.00 0.00 175.76 176.72 1m61 n ASP 31 N -1.77 2.72 0.00 0.00 9.92 -1.26 -2.80 116.55 123.36 1m61 n ASP 31 Ca 0.00 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 1m61 n ASP 31 Cb 0.55 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1m61 n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m61 n GLY 32 N 1.69 3.02 3.58 0.44 0.00 -0.09 -4.78 105.19 109.06 1m61 n GLY 32 Ca 0.09 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1m61 n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m61 n LEU 33 N 0.00 2.58 -3.68 0.99 7.94 -1.08 -1.71 117.00 122.05 1m61 n LEU 33 Ca 0.00 0.91 -0.05 0.00 -1.11 0.00 0.00 56.01 55.75 1m61 n LEU 33 Cb 0.00 -1.33 -0.02 0.00 0.53 0.00 0.00 43.42 42.61 1m61 n LEU 33 CO 0.00 -1.90 0.68 0.72 -1.11 0.00 0.00 177.39 175.78 1m61 s PHE 34 N -1.43 -0.21 0.25 1.96 -0.12 -1.19 -1.68 117.98 115.55 1m61 s PHE 34 Ca 0.68 -0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 57.41 1m61 s PHE 34 Cb -0.49 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.50 1m61 s PHE 34 CO 0.53 -0.78 0.42 -0.48 -0.05 0.00 0.00 175.22 174.86 1m61 s LEU 35 N -2.81 0.52 -0.05 -1.99 0.05 -0.44 0.25 118.68 114.22 1m61 s LEU 35 Ca 0.10 -1.06 0.03 0.00 0.05 0.00 0.00 54.13 53.25 1m61 s LEU 35 Cb -0.02 1.50 0.00 0.00 -2.05 0.00 0.00 46.19 45.63 1m61 s LEU 35 CO -0.01 -1.10 -0.15 -0.22 -0.55 0.00 0.00 176.35 174.32 1m61 s LEU 36 N -3.06 1.83 0.14 1.48 2.96 0.11 -2.15 118.68 119.98 1m61 s LEU 36 Ca 0.26 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1m61 s LEU 36 Cb 0.01 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1m61 s LEU 36 CO 0.10 0.11 -0.02 0.00 -1.32 0.00 0.00 176.35 175.22 1m61 s ARG 37 N 0.23 0.98 0.27 1.98 1.70 -0.94 -0.10 118.95 123.07 1m61 s ARG 37 Ca -0.07 -1.45 -0.30 0.00 -0.47 0.00 0.00 55.73 53.45 1m61 s ARG 37 Cb -0.12 -0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 33.97 1m61 s ARG 37 CO 0.02 -0.10 1.08 -1.14 -1.08 0.00 0.00 175.30 174.08 1m61 s GLN 38 N -3.90 4.67 0.06 3.89 0.74 -0.57 -0.69 119.66 123.86 1m61 s GLN 38 Ca 0.19 1.76 -0.31 0.00 0.05 0.00 0.00 55.36 57.06 1m61 s GLN 38 Cb 0.06 -3.20 -0.06 0.00 1.10 0.00 0.00 33.01 30.91 1m61 s GLN 38 CO 0.00 0.25 1.18 0.00 -0.55 0.00 0.00 175.29 176.18 1m61 n LEU 40 N 3.88 0.00 0.00 0.00 4.77 -1.26 -4.15 117.00 120.24 1m61 n LEU 40 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1m61 n LEU 40 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1m61 n LEU 40 CO 0.55 0.00 -0.34 0.54 -1.33 0.00 0.00 177.39 176.81 1m61 n ARG 41 N -0.94 0.00 -3.19 3.23 1.74 -1.26 -5.03 116.66 111.21 1m61 n ARG 41 Ca 0.17 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 1m61 n ARG 41 Cb 0.08 -0.42 -0.07 0.00 -1.02 0.00 0.00 32.46 31.02 1m61 n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1m61 s SER 42 N -4.78 6.25 0.15 0.55 0.15 -1.26 -4.09 113.70 110.67 1m61 s SER 42 Ca 0.00 -0.60 -0.34 0.00 0.70 0.00 0.00 55.95 55.70 1m61 s SER 42 Cb 0.00 -2.28 -0.15 0.00 -1.71 0.00 0.00 66.02 61.88 1m61 s SER 42 CO 0.00 -0.75 1.42 -0.11 1.20 0.00 0.00 173.24 175.00 1m61 n LEU 43 N 6.02 2.40 0.00 3.45 7.94 -1.26 0.80 117.00 136.36 1m61 n LEU 43 Ca -0.05 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1m61 n LEU 43 Cb 0.47 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1m61 n LEU 43 CO 0.51 -0.71 0.00 0.61 -1.11 0.00 0.00 177.39 176.69 1m61 n GLY 44 N 2.73 0.96 3.95 -3.96 0.00 -1.26 -4.79 105.19 102.82 1m61 n GLY 44 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1m61 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1m61 s GLY 45 N -1.79 1.70 0.26 -0.02 0.00 0.24 -4.46 107.32 103.24 1m61 s GLY 45 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1m61 s GLY 45 CO 0.00 -0.75 0.18 -0.19 0.00 0.00 0.00 173.10 172.34 1m61 s TYR 46 N -2.90 1.45 -0.08 1.90 2.02 -0.60 -0.70 117.35 118.45 1m61 s TYR 46 Ca 0.56 -1.46 -0.03 0.00 -0.37 0.00 0.00 57.07 55.76 1m61 s TYR 46 Cb -0.10 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1m61 s TYR 46 CO 0.41 -0.68 0.16 0.08 -1.57 0.00 0.00 175.55 173.95 1m61 s VAL 47 N -3.81 -0.12 -0.38 0.71 1.01 0.13 0.20 120.40 118.14 1m61 s VAL 47 Ca 0.39 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 1m61 s VAL 47 Cb 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.17 1m61 s VAL 47 CO 0.18 0.10 0.50 -0.22 0.00 0.00 0.00 175.10 175.65 1m61 s LEU 48 N 1.53 4.51 -0.36 3.92 2.96 0.73 -2.23 118.68 129.75 1m61 s LEU 48 Ca -0.06 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 1m61 s LEU 48 Cb -0.12 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.07 1m61 s LEU 48 CO -0.06 -0.54 0.18 -0.44 -1.32 0.00 0.00 176.35 174.17 1m61 s SER 49 N 1.81 5.62 0.18 3.68 0.01 -0.91 -0.34 113.70 123.74 1m61 s SER 49 Ca 0.17 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 56.58 1m61 s SER 49 Cb -0.16 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1m61 s SER 49 CO 0.14 -0.34 -0.16 -1.48 0.41 0.00 0.00 173.24 171.81 1m61 s LEU 50 N 1.54 2.49 -0.07 2.44 0.05 0.17 -1.32 118.68 123.98 1m61 s LEU 50 Ca 0.02 -0.93 0.01 0.00 0.05 0.00 0.00 54.13 53.28 1m61 s LEU 50 Cb -0.19 -0.72 -0.03 0.00 -2.05 0.00 0.00 46.19 43.21 1m61 s LEU 50 CO 0.06 -0.11 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.97 1m61 s VAL 51 N -2.50 3.57 -0.25 1.48 1.01 -0.68 -0.34 120.40 122.70 1m61 s VAL 51 Ca 0.18 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1m61 s VAL 51 Cb -0.03 -2.45 0.10 0.00 0.00 0.00 0.00 36.38 33.99 1m61 s VAL 51 CO 0.06 0.59 0.57 -2.28 0.00 0.00 0.00 175.10 174.05 1m61 s HIS 52 N -0.74 -1.05 -0.95 5.22 5.04 -0.72 -0.91 115.29 121.18 1m61 s HIS 52 Ca 0.11 1.95 0.00 0.00 -1.54 0.00 0.00 55.06 55.58 1m61 s HIS 52 Cb -0.11 0.57 0.00 0.00 0.04 0.00 0.00 32.58 33.08 1m61 s HIS 52 CO 0.01 -0.55 0.00 -0.25 -2.34 0.00 0.00 174.74 171.62 1m61 n ASP 53 N 5.01 -3.88 0.00 9.88 8.00 -1.26 -2.12 116.55 132.18 1m61 n ASP 53 Ca -0.15 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1m61 n ASP 53 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 1m61 n ASP 53 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1m61 n VAL 54 N -3.10 0.00 -3.85 2.53 0.31 -1.26 -5.00 118.33 107.96 1m61 n VAL 54 Ca -0.10 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.89 1m61 n VAL 54 Cb 0.39 -0.10 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 1m61 n VAL 54 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1m61 s ARG 55 N -0.20 3.49 0.04 5.55 0.52 -0.90 -5.09 118.95 122.35 1m61 s ARG 55 Ca 0.00 -0.23 -0.18 0.00 -0.52 0.00 0.00 55.73 54.80 1m61 s ARG 55 Cb 0.00 -3.09 -0.06 0.00 0.52 0.00 0.00 34.95 32.32 1m61 s ARG 55 CO 0.00 0.67 0.51 -0.06 0.02 0.00 0.00 175.30 176.44 1m61 s PHE 56 N -1.31 3.77 -0.07 -0.53 0.40 -1.26 -1.76 117.98 117.21 1m61 s PHE 56 Ca 0.27 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.79 1m61 s PHE 56 Cb -0.13 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 40.99 1m61 s PHE 56 CO 0.17 0.59 -0.15 -1.01 0.70 0.00 0.00 175.22 175.52 1m61 s HIS 57 N -1.02 1.71 -0.23 0.36 3.76 0.54 -4.99 115.29 115.42 1m61 s HIS 57 Ca 0.27 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1m61 s HIS 57 Cb -0.18 -1.22 0.06 0.00 1.11 0.00 0.00 32.58 32.35 1m61 s HIS 57 CO 0.17 -0.31 -0.08 -1.01 -0.85 0.00 0.00 174.74 172.66 1m61 s HIS 58 N 0.59 2.61 -0.33 1.40 3.76 -1.26 -0.66 115.29 121.40 1m61 s HIS 58 Ca -0.16 -1.86 -0.06 0.00 -0.15 0.00 0.00 55.06 52.83 1m61 s HIS 58 Cb -0.16 -1.68 0.04 0.00 1.11 0.00 0.00 32.58 31.89 1m61 s HIS 58 CO 0.05 -0.79 0.10 -0.06 -0.85 0.00 0.00 174.74 173.18 1m61 s PHE 59 N 1.32 3.24 0.46 1.40 0.40 0.54 -4.93 117.98 120.42 1m61 s PHE 59 Ca -0.06 -1.39 -0.24 0.00 -0.60 0.00 0.00 56.93 54.64 1m61 s PHE 59 Cb -0.19 -2.27 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 1m61 s PHE 59 CO -0.06 -0.72 1.32 -2.14 0.70 0.00 0.00 175.22 174.32 1m61 s PRO 60 N 1.41 3.66 -0.25 0.24 0.02 -1.26 -0.19 135.00 138.62 1m61 s PRO 60 Ca -0.01 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.16 1m61 s PRO 60 Cb -0.19 -2.55 0.02 0.00 0.02 0.00 0.00 34.50 31.80 1m61 s PRO 60 CO 0.03 -0.76 -0.05 0.42 -0.33 0.00 0.00 177.00 176.31 1m61 s ILE 61 N -1.30 2.98 -0.01 2.83 -1.09 0.54 -4.18 121.20 120.97 1m61 s ILE 61 Ca 0.63 -0.98 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 1m61 s ILE 61 Cb -0.38 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.93 1m61 s ILE 61 CO 0.48 0.20 0.60 -0.70 -1.23 0.00 0.00 174.94 174.28 1m61 s GLU 62 N 1.35 4.32 -0.55 2.79 2.56 0.19 -1.56 118.70 127.79 1m61 s GLU 62 Ca 0.01 0.73 -0.21 0.00 0.00 0.00 0.00 54.97 55.49 1m61 s GLU 62 Cb -0.17 -3.35 0.06 0.00 2.00 0.00 0.00 34.13 32.67 1m61 s GLU 62 CO -0.04 0.35 0.80 0.50 -0.56 0.00 0.00 175.26 176.31 1m61 s ARG 63 N -0.13 3.19 0.71 4.30 6.06 -1.26 -1.55 118.95 130.26 1m61 s ARG 63 Ca 0.31 -0.70 -0.12 0.00 -2.50 0.00 0.00 55.73 52.73 1m61 s ARG 63 Cb -0.18 -4.12 0.02 0.00 0.06 0.00 0.00 34.95 30.73 1m61 s ARG 63 CO 0.17 -1.44 1.08 -0.65 -2.50 0.00 0.00 175.30 171.96 1m61 s GLN 64 N 3.33 2.66 0.55 5.12 -1.52 -0.03 -4.93 119.66 124.84 1m61 s GLN 64 Ca 0.21 1.14 0.25 0.00 -1.95 0.00 0.00 55.36 55.01 1m61 s GLN 64 Cb -0.17 -1.95 1.45 0.00 -0.22 0.00 0.00 33.01 32.13 1m61 s GLN 64 CO 0.14 -1.33 2.04 -0.07 -0.25 0.00 0.00 175.29 175.82 1m61 h LEU 65 N -0.66 0.00 -1.26 2.90 3.38 -1.87 -0.34 115.31 117.45 1m61 h LEU 65 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1m61 h LEU 65 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1m61 h LEU 65 CO 0.54 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.61 1m61 n ASN 66 N -4.20 1.83 0.00 -0.43 6.94 -1.26 -4.92 115.26 113.23 1m61 n ASN 66 Ca 0.06 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 1m61 n ASN 66 Cb 0.47 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1m61 n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1m61 n GLY 67 N 1.05 0.84 3.94 4.83 0.00 -0.14 -5.07 105.19 110.64 1m61 n GLY 67 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1m61 n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m61 s THR 68 N -2.53 3.72 0.05 2.61 -4.23 -1.26 -4.73 115.64 109.27 1m61 s THR 68 Ca 0.00 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.33 1m61 s THR 68 Cb 0.00 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 1m61 s THR 68 CO 0.00 -0.37 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.16 1m61 s TYR 69 N -2.79 2.13 -0.08 3.99 1.51 0.52 -0.85 117.35 121.78 1m61 s TYR 69 Ca 0.52 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 1m61 s TYR 69 Cb -0.10 -1.27 0.08 0.00 -0.11 0.00 0.00 41.96 40.57 1m61 s TYR 69 CO 0.41 0.13 0.76 0.00 -1.11 0.00 0.00 175.55 175.74 1m61 s ALA 70 N -0.82 -1.81 0.36 3.71 0.00 -0.60 -1.81 121.76 120.79 1m61 s ALA 70 Ca 0.10 1.41 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 1m61 s ALA 70 Cb -0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 1m61 s ALA 70 CO 0.02 -0.35 0.92 0.42 0.00 0.00 0.00 175.76 176.77 1m61 s ILE 71 N -1.11 4.33 0.01 0.00 1.01 -1.26 0.55 121.20 124.72 1m61 s ILE 71 Ca -0.08 1.61 -0.36 0.00 0.00 0.00 0.00 60.65 61.82 1m61 s ILE 71 Cb -0.00 -3.81 -0.15 0.00 0.01 0.00 0.00 42.46 38.51 1m61 s ILE 71 CO 0.08 -0.07 1.59 0.00 0.00 0.00 0.00 174.94 176.54 1m61 n ALA 72 N 0.02 0.23 -0.95 9.38 0.00 -1.26 0.39 120.51 128.32 1m61 n ALA 72 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1m61 n ALA 72 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1m61 n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m61 n GLY 73 N 3.45 0.68 4.03 0.00 0.00 -1.26 -5.01 105.19 107.07 1m61 n GLY 73 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 1m61 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1m61 s GLY 74 N -2.00 1.80 0.60 -0.02 0.00 0.16 -5.10 107.32 102.75 1m61 s GLY 74 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 44.72 42.60 1m61 s GLY 74 CO 0.00 -1.60 1.02 0.54 0.00 0.00 0.00 173.10 173.06 1m61 s LYS 75 N -4.59 3.56 0.27 2.90 1.02 -1.26 -4.72 119.74 116.92 1m61 s LYS 75 Ca 0.60 0.92 -0.16 0.00 0.02 0.00 0.00 55.97 57.35 1m61 s LYS 75 Cb -0.07 -2.08 -0.08 0.00 -0.52 0.00 0.00 37.83 35.08 1m61 s LYS 75 CO 0.37 -0.60 0.70 0.00 -0.92 0.00 0.00 175.35 174.90 1m61 s ALA 76 N -2.87 3.39 0.11 5.17 0.00 -1.26 -4.54 121.76 121.76 1m61 s ALA 76 Ca 0.58 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1m61 s ALA 76 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1m61 s ALA 76 CO 0.44 0.36 -0.10 -1.01 0.00 0.00 0.00 175.76 175.45 1m61 s HIS 77 N -1.78 1.11 -0.47 0.00 0.09 -0.75 -4.92 115.29 108.57 1m61 s HIS 77 Ca 0.49 -0.68 0.26 0.00 -0.00 0.00 0.00 55.06 55.12 1m61 s HIS 77 Cb -0.13 -0.60 0.71 0.00 -0.00 0.00 0.00 32.58 32.56 1m61 s HIS 77 CO 0.19 0.02 1.73 0.00 -0.00 0.00 0.00 174.74 176.68 1m61 s GLY 79 N -3.92 -0.22 0.34 0.00 0.00 -1.26 -4.72 107.32 97.54 1m61 s GLY 79 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.92 1m61 s GLY 79 CO 0.60 -0.00 1.90 -0.56 0.00 0.00 0.00 173.10 175.04 1m61 h PRO 80 N 2.00 0.62 0.14 2.90 0.13 -1.96 -1.31 132.00 134.52 1m61 h PRO 80 Ca -0.23 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1m61 h PRO 80 Cb 1.23 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1m61 h PRO 80 CO 0.25 0.57 -0.09 0.00 -0.23 0.00 0.00 178.00 178.50 1m61 h ALA 81 N 1.51 -0.21 -0.88 -0.56 0.00 -1.97 0.13 119.26 117.29 1m61 h ALA 81 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1m61 h ALA 81 Cb 0.22 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1m61 h ALA 81 CO -0.00 -0.62 0.57 0.93 0.00 0.00 0.00 179.25 180.13 1m61 h GLU 82 N -0.22 1.12 -0.28 0.00 3.07 -1.91 0.26 114.58 116.61 1m61 h GLU 82 Ca -0.01 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1m61 h GLU 82 Cb 0.19 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1m61 h GLU 82 CO 0.01 0.74 0.15 1.25 -1.40 0.00 0.00 179.01 179.76 1m61 h LEU 83 N 1.15 0.36 -0.58 1.33 6.46 -0.76 0.19 115.31 123.47 1m61 h LEU 83 Ca 0.33 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.94 1m61 h LEU 83 Cb -0.08 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 1m61 h LEU 83 CO -0.09 0.35 0.14 0.00 -0.62 0.00 0.00 178.44 178.22 1m61 h GLU 85 N 0.83 1.31 0.43 0.00 5.08 -0.22 -1.32 114.58 120.70 1m61 h GLU 85 Ca 0.18 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1m61 h GLU 85 Cb 0.35 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1m61 h GLU 85 CO 0.00 0.89 -0.21 0.35 -1.00 0.00 0.00 179.01 179.04 1m61 h PHE 86 N 1.35 -0.54 0.00 4.33 3.57 -0.16 -2.96 116.94 122.53 1m61 h PHE 86 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1m61 h PHE 86 Cb -0.13 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1m61 h PHE 86 CO 0.00 -0.27 -0.07 1.88 -2.23 0.00 0.00 178.31 177.62 1m61 h TYR 87 N -0.70 0.00 -0.55 0.41 -1.99 -1.21 -1.32 116.97 111.61 1m61 h TYR 87 Ca -0.06 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1m61 h TYR 87 Cb 0.51 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 1m61 h TYR 87 CO -0.02 0.07 0.27 0.77 -0.00 0.00 0.00 178.16 179.25 1m61 h SER 88 N 0.00 0.68 -0.20 3.88 0.02 -1.07 -2.31 113.55 114.55 1m61 h SER 88 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1m61 h SER 88 Cb 0.27 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1m61 h SER 88 CO 0.01 0.58 0.00 -2.11 -1.14 0.00 0.00 176.83 174.17 1m61 n ARG 89 N -4.38 1.99 -3.29 3.45 1.85 -0.62 -4.08 116.66 111.57 1m61 n ARG 89 Ca 0.05 -1.88 0.03 0.00 -1.00 0.00 0.00 57.85 55.05 1m61 n ARG 89 Cb 0.12 -1.39 -0.03 0.00 -1.05 0.00 0.00 32.46 30.11 1m61 n ARG 89 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1m61 s ASP 90 N -1.38 -0.82 0.56 2.89 3.68 -0.59 -5.04 116.67 115.97 1m61 s ASP 90 Ca 0.27 0.77 0.28 0.00 2.13 0.00 0.00 52.55 56.00 1m61 s ASP 90 Cb 0.17 1.79 1.66 0.00 -1.45 0.00 0.00 42.92 45.10 1m61 s ASP 90 CO 0.24 -0.16 2.19 -0.65 0.13 0.00 0.00 175.17 176.93 1m61 h PRO 91 N 7.84 0.00 -5.28 4.34 0.11 -1.86 -3.35 132.00 133.80 1m61 h PRO 91 Ca -0.17 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.79 1m61 h PRO 91 Cb 1.14 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1m61 h PRO 91 CO 0.08 0.04 -0.23 -3.47 -0.21 0.00 0.00 178.00 174.20 1m61 n ASP 92 N -3.86 0.13 0.00 -2.05 4.64 -1.26 0.13 116.55 114.27 1m61 n ASP 92 Ca -0.03 -0.31 0.00 0.00 -1.38 0.00 0.00 54.79 53.07 1m61 n ASP 92 Cb 0.13 -0.39 0.00 0.00 -1.04 0.00 0.00 41.12 39.82 1m61 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1m61 n GLY 93 N -1.27 2.48 3.81 0.27 0.00 -1.26 -5.01 105.19 104.21 1m61 n GLY 93 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1m61 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m61 s LEU 94 N 0.00 2.83 0.44 0.99 1.43 0.34 -4.92 118.68 119.78 1m61 s LEU 94 Ca 0.00 1.46 0.14 0.00 -1.03 0.00 0.00 54.13 54.70 1m61 s LEU 94 Cb 0.00 -4.18 1.03 0.00 0.03 0.00 0.00 46.19 43.07 1m61 s LEU 94 CO 0.00 -1.77 1.99 1.55 0.23 0.00 0.00 176.35 178.35 1m61 h PRO 95 N -0.95 0.39 -2.28 1.29 0.13 -1.99 -3.45 132.00 125.15 1m61 h PRO 95 Ca -0.46 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1m61 h PRO 95 Cb 1.24 -0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1m61 h PRO 95 CO 0.58 0.26 0.48 0.00 -0.23 0.00 0.00 178.00 179.09 1m61 n ASN 97 N -0.21 -3.21 -4.68 0.00 6.94 -1.26 -4.80 115.26 108.04 1m61 n ASN 97 Ca -0.09 -0.57 -0.38 0.00 -0.02 0.00 0.00 54.58 53.52 1m61 n ASN 97 Cb 0.62 -1.07 -0.07 0.00 -2.36 0.00 0.00 39.78 36.89 1m61 n ASN 97 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1m61 s LEU 98 N -6.78 4.18 -0.20 -4.53 1.43 -0.89 -4.49 118.68 107.40 1m61 s LEU 98 Ca 0.65 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.24 1m61 s LEU 98 Cb -0.17 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.64 1m61 s LEU 98 CO 0.59 -0.03 0.02 -0.13 0.23 0.00 0.00 176.35 177.03 1m61 s ARG 99 N 1.09 0.83 0.06 1.70 0.52 -0.69 -4.44 118.95 118.01 1m61 s ARG 99 Ca 0.18 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1m61 s ARG 99 Cb -0.14 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1m61 s ARG 99 CO 0.07 -0.62 0.00 1.17 0.02 0.00 0.00 175.30 175.94 1m61 n LYS 100 N 4.99 -2.36 -2.29 3.54 3.00 -1.26 -2.62 118.16 121.16 1m61 n LYS 100 Ca -0.09 1.97 -0.28 0.00 -0.00 0.00 0.00 58.31 59.91 1m61 n LYS 100 Cb 0.47 -2.06 0.03 0.00 0.00 0.00 0.00 35.03 33.47 1m61 n LYS 100 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1m61 s PRO 101 N -1.73 3.02 -1.00 1.64 0.04 -1.26 -3.18 135.00 132.53 1m61 s PRO 101 Ca 0.00 0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 1m61 s PRO 101 Cb 0.00 -2.22 0.30 0.00 0.04 0.00 0.00 34.50 32.62 1m61 s PRO 101 CO 0.00 -0.70 1.41 0.00 0.04 0.00 0.00 177.00 177.75 1m61 n ASN 103 N 1.06 0.81 -4.71 0.00 3.02 -1.26 -4.67 115.26 109.51 1m61 n ASN 103 Ca 0.29 1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 55.58 1m61 n ASN 103 Cb 0.34 -1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 1m61 n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m61 s ARG 104 N -1.03 4.20 0.33 3.52 1.70 -0.57 -4.89 118.95 122.22 1m61 s ARG 104 Ca 0.65 2.36 -0.19 0.00 -0.47 0.00 0.00 55.73 58.08 1m61 s ARG 104 Cb -0.81 -3.35 -0.14 0.00 -0.57 0.00 0.00 34.95 30.09 1m61 s ARG 104 CO 0.57 -0.67 0.12 -0.35 -1.08 0.00 0.00 175.30 173.89 1m61 n PRO 105 N 4.68 0.00 -1.56 3.89 -0.04 -1.26 -4.70 135.00 136.01 1m61 n PRO 105 Ca 0.15 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.12 1m61 n PRO 105 Cb 0.39 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.96 1m61 n PRO 105 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1m61 n SER 106 N 1.98 1.01 0.00 3.54 7.64 -1.26 -1.81 113.62 124.72 1m61 n SER 106 Ca 0.10 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1m61 n SER 106 Cb 0.33 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1m61 n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m61 n GLY 107 N 1.83 2.76 3.89 0.23 0.00 -1.26 -5.03 105.19 107.61 1m61 n GLY 107 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1m61 n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1m61 s LEU 108 N 0.00 4.12 0.09 0.99 2.96 -0.75 -5.11 118.68 120.99 1m61 s LEU 108 Ca 0.00 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1m61 s LEU 108 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1m61 s LEU 108 CO 0.00 -0.12 0.09 -1.61 -1.32 0.00 0.00 176.35 173.39 1m61 s GLU 109 N -3.13 0.79 0.37 1.98 2.02 -1.26 -4.87 118.70 114.60 1m61 s GLU 109 Ca 0.45 -1.16 -0.26 0.00 0.02 0.00 0.00 54.97 54.02 1m61 s GLU 109 Cb -0.11 0.28 -0.12 0.00 0.10 0.00 0.00 34.13 34.28 1m61 s GLU 109 CO 0.25 -0.21 1.06 -0.35 0.02 0.00 0.00 175.26 176.03 1m61 n PRO 110 N -0.01 1.50 -4.16 0.39 -0.04 -1.26 -4.94 135.00 126.48 1m61 n PRO 110 Ca -0.12 0.53 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 1m61 n PRO 110 Cb 0.62 -2.04 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 1m61 n PRO 110 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1m61 s GLN 111 N -1.87 3.41 -0.28 0.54 -2.07 -1.04 -4.89 119.66 113.46 1m61 s GLN 111 Ca 0.60 -0.33 -0.29 0.00 -1.82 0.00 0.00 55.36 53.52 1m61 s GLN 111 Cb -0.60 -3.01 -0.02 0.00 -1.09 0.00 0.00 33.01 28.29 1m61 s GLN 111 CO 0.59 0.57 1.78 -2.14 -1.32 0.00 0.00 175.29 174.77 1m61 s PRO 112 N -0.48 3.48 0.00 9.60 0.02 -1.26 -0.88 135.00 145.47 1m61 s PRO 112 Ca 0.10 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1m61 s PRO 112 Cb -0.12 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1m61 s PRO 112 CO 0.02 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 1m61 n GLY 113 N 5.22 -0.06 0.25 0.52 0.00 -1.26 -4.92 105.19 104.94 1m61 n GLY 113 Ca 0.22 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 1m61 n GLY 113 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1m61 h VAL 114 N -0.29 1.28 -0.29 1.61 2.07 -1.96 -3.07 116.25 115.61 1m61 h VAL 114 Ca 0.00 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 65.98 1m61 h VAL 114 Cb 0.00 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1m61 h VAL 114 CO 0.00 0.54 0.26 -0.26 0.02 0.00 0.00 177.57 178.13 1m61 h PHE 115 N 0.69 0.00 0.00 1.57 0.05 -1.96 0.29 116.94 117.57 1m61 h PHE 115 Ca 0.04 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.75 1m61 h PHE 115 Cb 1.05 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.99 1m61 h PHE 115 CO 0.07 0.00 -0.36 -0.44 -0.18 0.00 0.00 178.31 177.40 1m61 h ASP 116 N 0.00 0.00 0.16 2.17 3.32 -1.83 -2.37 116.42 117.87 1m61 h ASP 116 Ca 0.14 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.88 1m61 h ASP 116 Cb 0.65 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.23 1m61 h ASP 116 CO -0.00 0.36 -1.29 0.00 -1.72 0.00 0.00 179.24 176.58 1m61 h LEU 118 N 0.26 -0.03 -0.64 0.00 5.85 -1.24 0.15 115.31 119.66 1m61 h LEU 118 Ca -0.20 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1m61 h LEU 118 Cb 1.96 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.98 1m61 h LEU 118 CO 0.25 0.00 0.39 0.03 -0.34 0.00 0.00 178.44 178.77 1m61 h ARG 119 N 0.04 0.74 -0.25 1.25 3.08 -1.49 0.14 114.38 117.89 1m61 h ARG 119 Ca 0.05 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1m61 h ARG 119 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1m61 h ARG 119 CO -0.07 0.49 -0.12 0.22 -1.07 0.00 0.00 179.97 179.42 1m61 h ASP 120 N 0.76 0.54 -0.00 7.04 3.58 -1.38 -2.21 116.42 124.74 1m61 h ASP 120 Ca 0.26 -0.41 0.03 0.00 0.42 0.00 0.00 57.03 57.33 1m61 h ASP 120 Cb 0.04 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1m61 h ASP 120 CO -0.11 0.83 -0.16 0.00 -2.88 0.00 0.00 179.24 176.91 1m61 h ALA 121 N 0.73 -0.19 0.00 -0.78 0.00 -0.23 0.74 119.26 119.52 1m61 h ALA 121 Ca 0.06 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1m61 h ALA 121 Cb 0.62 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1m61 h ALA 121 CO 0.04 -0.66 -0.55 0.00 0.00 0.00 0.00 179.25 178.08 1m61 h MET 122 N -0.27 0.00 -0.10 0.00 -0.00 -0.76 0.11 114.93 113.92 1m61 h MET 122 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.60 1m61 h MET 122 Cb 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.94 1m61 h MET 122 CO -0.16 0.55 -0.56 -0.24 -0.00 0.00 0.00 176.91 176.51 1m61 h VAL 123 N 0.00 1.36 -0.12 -0.10 3.04 -1.13 -2.08 116.25 117.22 1m61 h VAL 123 Ca -0.01 -1.88 0.02 0.00 -1.01 0.00 0.00 66.70 63.83 1m61 h VAL 123 Cb 0.99 2.22 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 1m61 h VAL 123 CO 0.07 0.57 -0.03 -0.09 -1.01 0.00 0.00 177.57 177.07 1m61 h ARG 124 N 0.15 -0.01 0.38 4.17 2.43 0.73 -2.38 114.38 119.85 1m61 h ARG 124 Ca -0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1m61 h ARG 124 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1m61 h ARG 124 CO 0.11 -0.00 -0.26 0.22 -1.51 0.00 0.00 179.97 178.53 1m61 h ASP 125 N -0.01 -0.68 -0.44 -3.80 -0.00 -0.81 -1.95 116.42 108.74 1m61 h ASP 125 Ca 0.06 0.05 0.09 0.00 -0.00 0.00 0.00 57.03 57.23 1m61 h ASP 125 Cb 0.10 0.21 -0.09 0.00 -0.00 0.00 0.00 39.33 39.55 1m61 h ASP 125 CO -0.13 -0.41 -0.21 0.22 -0.00 0.00 0.00 179.24 178.71 1m61 h TYR 126 N -0.63 -0.53 0.58 0.28 3.20 -1.25 0.45 116.97 119.07 1m61 h TYR 126 Ca -0.04 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1m61 h TYR 126 Cb 0.54 0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.11 1m61 h TYR 126 CO -0.12 -0.29 -0.28 0.28 -1.64 0.00 0.00 178.16 176.11 1m61 h VAL 127 N -0.12 0.00 -1.20 1.81 2.07 -1.39 0.40 116.25 117.82 1m61 h VAL 127 Ca 0.21 -0.08 0.35 0.00 0.82 0.00 0.00 66.70 68.00 1m61 h VAL 127 Cb 0.45 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 1m61 h VAL 127 CO -0.52 0.00 0.80 -0.09 0.02 0.00 0.00 177.57 177.78 1m61 h ARG 128 N -0.86 0.20 0.00 1.57 2.43 -1.25 0.61 114.38 117.08 1m61 h ARG 128 Ca -0.08 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 1m61 h ARG 128 Cb 0.60 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1m61 h ARG 128 CO 0.13 0.13 -1.20 0.37 -1.51 0.00 0.00 179.97 177.89 1m61 h GLN 129 N 0.20 0.00 0.08 0.20 5.75 -0.78 -1.40 115.11 119.16 1m61 h GLN 129 Ca 0.67 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.87 1m61 h GLN 129 Cb 2.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.62 1m61 h GLN 129 CO -0.26 0.56 -1.63 1.15 -2.65 0.00 0.00 178.83 175.99 1m61 h THR 130 N 0.00 1.00 0.00 2.39 2.02 0.41 -3.40 112.91 115.32 1m61 h THR 130 Ca -0.12 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1m61 h THR 130 Cb 1.70 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.73 1m61 h THR 130 CO 0.08 0.75 0.00 0.79 0.37 0.00 0.00 175.52 177.51 1m61 n TRP 131 N -3.33 0.00 -1.69 3.16 8.01 0.17 -5.00 117.44 118.75 1m61 n TRP 131 Ca -0.18 -0.13 -0.20 0.00 -1.31 0.00 0.00 57.50 55.67 1m61 n TRP 131 Cb 1.04 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.31 30.25 1m61 n TRP 131 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1m61 n LYS 132 N -0.13 -1.48 -1.53 -0.99 5.02 -0.53 -4.95 118.16 113.58 1m61 n LYS 132 Ca 0.00 1.18 -0.34 0.00 -2.02 0.00 0.00 58.31 57.13 1m61 n LYS 132 Cb 0.19 -5.59 0.08 0.00 -0.02 0.00 0.00 35.03 29.69 1m61 n LYS 132 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1m61 s LEU 133 N -4.86 3.32 0.27 -0.35 1.02 -1.26 -4.98 118.68 111.85 1m61 s LEU 133 Ca 0.00 2.20 -0.17 0.00 0.02 0.00 0.00 54.13 56.18 1m61 s LEU 133 Cb 0.00 -4.57 0.01 0.00 0.02 0.00 0.00 46.19 41.65 1m61 s LEU 133 CO 0.00 -2.05 0.62 -0.70 0.02 0.00 0.00 176.35 174.24 1m61 s GLU 134 N -4.02 1.72 4.66 1.70 2.56 -1.26 -4.53 118.70 119.53 1m61 s GLU 134 Ca 0.71 -1.13 0.00 0.00 0.00 0.00 0.00 54.97 54.55 1m61 s GLU 134 Cb -0.25 0.55 0.00 0.00 2.00 0.00 0.00 34.13 36.43 1m61 s GLU 134 CO 0.44 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 1m61 n GLY 135 N -0.44 1.67 0.36 -1.50 0.00 -1.26 -2.25 105.19 101.78 1m61 n GLY 135 Ca -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1m61 n GLY 135 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1m61 h GLU 136 N 0.00 1.23 -0.76 1.61 4.57 -2.00 -2.01 114.58 117.22 1m61 h GLU 136 Ca 0.00 -0.11 0.15 0.00 -1.18 0.00 0.00 59.36 58.22 1m61 h GLU 136 Cb 0.00 -0.26 -0.10 0.00 -0.16 0.00 0.00 28.75 28.23 1m61 h GLU 136 CO 0.00 0.86 0.28 0.00 -1.18 0.00 0.00 179.01 178.97 1m61 h ALA 137 N 1.35 1.06 -0.00 2.92 0.00 -1.96 -1.67 119.26 120.96 1m61 h ALA 137 Ca 0.33 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1m61 h ALA 137 Cb -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1m61 h ALA 137 CO -0.06 -0.24 0.00 1.25 0.00 0.00 0.00 179.25 180.20 1m61 h LEU 138 N 0.41 0.00 -1.35 0.00 5.85 -0.92 -2.87 115.31 116.42 1m61 h LEU 138 Ca 0.42 -0.20 0.21 0.00 0.84 0.00 0.00 57.88 59.15 1m61 h LEU 138 Cb 0.66 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 1m61 h LEU 138 CO -0.43 0.20 0.61 -0.33 -0.34 0.00 0.00 178.44 178.15 1m61 h GLU 139 N -0.20 0.50 0.07 1.25 3.07 -0.90 -1.92 114.58 116.46 1m61 h GLU 139 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1m61 h GLU 139 Cb 0.20 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1m61 h GLU 139 CO -0.00 0.33 -0.03 1.96 -1.40 0.00 0.00 179.01 179.87 1m61 h GLN 140 N 0.52 -0.09 -0.06 2.33 1.08 -1.35 -3.06 115.11 114.47 1m61 h GLN 140 Ca 0.51 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.74 1m61 h GLN 140 Cb 1.12 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1m61 h GLN 140 CO -0.25 0.43 0.21 0.00 -0.95 0.00 0.00 178.83 178.27 1m61 h ALA 141 N 0.13 1.37 0.19 3.87 0.00 -1.24 0.12 119.26 123.70 1m61 h ALA 141 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1m61 h ALA 141 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1m61 h ALA 141 CO 0.02 -0.24 -0.09 0.82 0.00 0.00 0.00 179.25 179.76 1m61 h ILE 142 N 0.00 0.88 -0.74 0.00 2.04 -1.27 0.94 117.51 119.35 1m61 h ILE 142 Ca 0.03 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1m61 h ILE 142 Cb 0.44 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1m61 h ILE 142 CO -0.00 0.19 0.38 0.40 0.00 0.00 0.00 178.15 179.12 1m61 h ILE 143 N -0.75 1.23 0.09 -0.67 5.03 -0.96 0.61 117.51 122.08 1m61 h ILE 143 Ca -0.03 -0.61 -0.26 0.00 -0.12 0.00 0.00 64.86 63.84 1m61 h ILE 143 Cb 0.51 0.25 0.01 0.00 -3.03 0.00 0.00 36.82 34.56 1m61 h ILE 143 CO 0.04 0.27 -1.14 -1.28 -0.68 0.00 0.00 178.15 175.36 1m61 h SER 144 N 1.05 0.53 0.62 1.72 0.87 -0.81 -3.35 113.55 114.18 1m61 h SER 144 Ca 0.26 -0.50 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1m61 h SER 144 Cb 0.07 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1m61 h SER 144 CO -0.04 1.35 -1.46 0.00 -0.53 0.00 0.00 176.83 176.15 1m61 n GLN 145 N -3.65 0.63 -0.37 2.24 1.13 0.32 -4.37 117.38 113.31 1m61 n GLN 145 Ca -0.09 0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 54.99 1m61 n GLN 145 Cb 0.95 -1.74 -0.07 0.00 0.11 0.00 0.00 30.24 29.49 1m61 n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1m61 n ALA 146 N -2.33 -0.49 -0.32 -1.58 0.00 0.21 0.99 120.51 116.99 1m61 n ALA 146 Ca -0.07 0.78 0.12 0.00 0.00 0.00 0.00 53.44 54.26 1m61 n ALA 146 Cb 0.72 -0.17 0.30 0.00 0.00 0.00 0.00 19.45 20.30 1m61 n ALA 146 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1m61 h PRO 147 N 0.00 0.53 0.07 0.00 0.13 -1.80 0.31 132.00 131.24 1m61 h PRO 147 Ca 0.17 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1m61 h PRO 147 Cb 0.39 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1m61 h PRO 147 CO -0.84 0.35 -0.03 0.37 -0.23 0.00 0.00 178.00 177.62 1m61 h GLN 148 N 0.55 -0.09 -0.78 0.86 4.15 0.05 -2.79 115.11 117.06 1m61 h GLN 148 Ca 0.55 0.01 0.18 0.00 0.77 0.00 0.00 58.65 60.16 1m61 h GLN 148 Cb 0.94 0.02 -0.13 0.00 0.21 0.00 0.00 27.48 28.52 1m61 h GLN 148 CO -0.45 0.48 0.12 0.28 -1.93 0.00 0.00 178.83 177.33 1m61 h VAL 149 N -0.90 0.38 0.67 2.39 2.07 0.10 0.40 116.25 121.36 1m61 h VAL 149 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1m61 h VAL 149 Cb 0.60 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1m61 h VAL 149 CO 0.01 0.03 -0.45 -0.33 0.02 0.00 0.00 177.57 176.85 1m61 h GLU 150 N 0.18 -1.02 -1.02 1.57 4.39 -0.47 1.01 114.58 119.22 1m61 h GLU 150 Ca 0.45 0.07 0.29 0.00 0.34 0.00 0.00 59.36 60.51 1m61 h GLU 150 Cb 0.82 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 1m61 h GLU 150 CO -0.62 -0.68 0.73 -0.22 -1.16 0.00 0.00 179.01 177.06 1m61 h LYS 151 N -1.06 0.05 0.00 2.33 1.63 -0.80 0.10 116.57 118.81 1m61 h LYS 151 Ca -0.09 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1m61 h LYS 151 Cb 0.86 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1m61 h LYS 151 CO 0.06 0.03 -0.11 1.25 -3.45 0.00 0.00 179.45 177.24 1m61 h LEU 152 N 0.05 0.00 -1.38 5.20 5.85 0.65 -3.29 115.31 122.39 1m61 h LEU 152 Ca 0.50 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1m61 h LEU 152 Cb 1.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 1m61 h LEU 152 CO -0.04 0.75 -0.27 0.16 -0.34 0.00 0.00 178.44 178.71 1m61 h ILE 153 N -1.00 0.85 -0.46 4.05 -0.00 0.16 0.20 117.51 121.30 1m61 h ILE 153 Ca -0.02 -1.06 0.00 0.00 -0.00 0.00 0.00 64.86 63.78 1m61 h ILE 153 Cb 0.47 1.64 0.00 0.00 -0.00 0.00 0.00 36.82 38.93 1m61 h ILE 153 CO -0.01 0.26 0.00 0.00 -0.00 0.00 0.00 178.15 178.40 1m61 n ALA 154 N -2.33 2.43 0.00 0.16 0.00 -0.03 -4.46 120.51 116.28 1m61 n ALA 154 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1m61 n ALA 154 Cb 0.38 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1m61 n ALA 154 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1m61 n THR 155 N 1.09 0.00 -1.54 0.00 -1.04 -0.95 -4.67 114.28 107.16 1m61 n THR 155 Ca 0.18 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.70 1m61 n THR 155 Cb 0.48 -0.35 -0.04 0.00 -1.82 0.00 0.00 70.33 68.60 1m61 n THR 155 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1m61 n THR 156 N -2.12 1.10 -1.93 12.58 -1.04 0.65 -4.88 114.28 118.64 1m61 n THR 156 Ca 0.00 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1m61 n THR 156 Cb 0.27 -0.64 -0.02 0.00 -1.82 0.00 0.00 70.33 68.13 1m61 n THR 156 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m61 s ALA 157 N -0.40 3.61 -0.56 2.41 0.00 -1.26 -4.87 121.76 120.69 1m61 s ALA 157 Ca 0.72 1.43 0.23 0.00 0.00 0.00 0.00 51.96 54.34 1m61 s ALA 157 Cb -0.89 -3.57 0.93 0.00 0.00 0.00 0.00 23.12 19.59 1m61 s ALA 157 CO 0.54 -0.86 1.70 -2.39 0.00 0.00 0.00 175.76 174.76 1m61 n HIS 158 N 1.45 0.74 0.25 0.00 1.44 -1.26 -2.70 115.22 115.14 1m61 n HIS 158 Ca 0.04 0.28 0.17 0.00 -2.01 0.00 0.00 57.72 56.20 1m61 n HIS 158 Cb 0.40 -0.95 0.90 0.00 0.12 0.00 0.00 29.99 30.45 1m61 n HIS 158 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1m61 h GLU 159 N 0.00 0.00 -0.01 -1.40 3.07 -1.94 -1.05 114.58 113.25 1m61 h GLU 159 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1m61 h GLU 159 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1m61 h GLU 159 CO 0.00 0.00 -0.40 0.54 -1.40 0.00 0.00 179.01 177.75 1m61 n ARG 160 N -2.66 1.19 -2.86 2.33 1.74 -1.10 -4.94 116.66 110.37 1m61 n ARG 160 Ca -0.02 -0.94 -0.40 0.00 -0.77 0.00 0.00 57.85 55.72 1m61 n ARG 160 Cb 0.06 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1m61 n ARG 160 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1m61 s MET 161 N -2.45 4.63 0.35 5.56 -1.94 -0.40 -4.94 119.30 120.12 1m61 s MET 161 Ca 0.21 1.28 0.12 0.00 -1.71 0.00 0.00 55.69 55.58 1m61 s MET 161 Cb 0.18 -3.33 0.90 0.00 2.01 0.00 0.00 34.83 34.59 1m61 s MET 161 CO 0.54 0.35 1.80 -1.00 -0.01 0.00 0.00 175.02 176.71 1m61 h PRO 162 N 5.14 0.58 0.00 2.03 0.13 -1.92 -0.23 132.00 137.73 1m61 h PRO 162 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1m61 h PRO 162 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1m61 h PRO 162 CO 0.70 0.38 0.00 -2.67 -0.23 0.00 0.00 178.00 176.18 1m61 n TRP 163 N -4.66 0.00 -3.62 1.56 4.27 -1.26 -1.54 117.44 112.18 1m61 n TRP 163 Ca 0.22 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.46 1m61 n TRP 163 Cb 0.66 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.51 1m61 n TRP 163 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1m61 s TYR 164 N -2.00 3.27 -0.51 -2.67 5.04 -0.10 0.11 117.35 120.48 1m61 s TYR 164 Ca 0.38 0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 55.17 1m61 s TYR 164 Cb 0.18 -2.33 0.13 0.00 0.35 0.00 0.00 41.96 40.29 1m61 s TYR 164 CO 0.30 -0.05 0.31 -1.01 -1.34 0.00 0.00 175.55 173.76 1m61 s HIS 165 N 1.43 3.49 0.31 4.97 3.76 0.47 -4.80 115.29 124.92 1m61 s HIS 165 Ca 0.07 -2.61 0.22 0.00 -0.15 0.00 0.00 55.06 52.60 1m61 s HIS 165 Cb -0.15 -3.19 1.09 0.00 1.11 0.00 0.00 32.58 31.44 1m61 s HIS 165 CO 0.08 -0.90 1.18 0.45 -0.85 0.00 0.00 174.74 174.70 1m61 n SER 166 N 3.99 0.19 -3.53 1.40 2.88 -1.26 -4.12 113.62 113.17 1m61 n SER 166 Ca 0.03 1.10 -0.18 0.00 -1.33 0.00 0.00 58.87 58.50 1m61 n SER 166 Cb 0.39 -0.54 -0.13 0.00 -0.75 0.00 0.00 64.21 63.18 1m61 n SER 166 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1m61 s SER 167 N -4.44 1.19 -0.28 -3.46 0.01 -1.26 -4.57 113.70 100.89 1m61 s SER 167 Ca -0.06 -0.07 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 1m61 s SER 167 Cb 0.24 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.97 1m61 s SER 167 CO 0.61 -0.31 0.86 -0.76 0.41 0.00 0.00 173.24 174.04 1m61 s LEU 168 N 2.33 -0.65 0.50 2.44 1.43 -1.26 -5.05 118.68 118.43 1m61 s LEU 168 Ca 0.06 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1m61 s LEU 168 Cb -0.15 2.16 0.01 0.00 0.03 0.00 0.00 46.19 48.24 1m61 s LEU 168 CO -0.11 -0.20 0.73 0.28 0.23 0.00 0.00 176.35 177.29 1m61 s THR 169 N 0.69 3.52 0.23 5.49 -1.32 -1.26 -4.79 115.64 118.19 1m61 s THR 169 Ca -0.02 -0.49 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 1m61 s THR 169 Cb -0.05 -3.32 0.29 0.00 -1.51 0.00 0.00 72.50 67.91 1m61 s THR 169 CO -0.07 -0.24 1.61 -0.09 -2.21 0.00 0.00 174.62 173.62 1m61 h ARG 170 N 0.21 -0.00 -0.36 7.08 2.43 -1.99 0.40 114.38 122.15 1m61 h ARG 170 Ca -0.45 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1m61 h ARG 170 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1m61 h ARG 170 CO 0.56 -0.00 0.08 0.93 -1.51 0.00 0.00 179.97 180.03 1m61 h GLU 171 N -0.00 0.59 -0.25 0.20 4.39 -2.00 -1.62 114.58 115.88 1m61 h GLU 171 Ca 0.35 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1m61 h GLU 171 Cb 0.53 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1m61 h GLU 171 CO -0.75 0.64 0.02 0.93 -1.16 0.00 0.00 179.01 178.69 1m61 h GLU 172 N 0.43 0.11 0.22 2.33 5.08 -1.38 -2.60 114.58 118.77 1m61 h GLU 172 Ca 0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1m61 h GLU 172 Cb 0.32 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1m61 h GLU 172 CO 0.00 0.07 -0.45 0.00 -1.00 0.00 0.00 179.01 177.64 1m61 h ALA 173 N 1.20 -0.86 -0.31 3.43 0.00 -0.12 -2.76 119.26 119.85 1m61 h ALA 173 Ca 0.12 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1m61 h ALA 173 Cb 0.14 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1m61 h ALA 173 CO -0.18 -1.04 -0.34 0.93 0.00 0.00 0.00 179.25 178.62 1m61 h GLU 174 N -0.75 -0.30 -0.94 0.00 5.08 -1.17 -1.51 114.58 114.99 1m61 h GLU 174 Ca -0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 1m61 h GLU 174 Cb 0.73 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.94 1m61 h GLU 174 CO -0.20 -0.20 0.52 0.00 -1.00 0.00 0.00 179.01 178.14 1m61 h ARG 175 N -0.31 0.63 -0.49 2.33 2.47 -1.34 0.54 114.38 118.22 1m61 h ARG 175 Ca 0.14 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.71 1m61 h ARG 175 Cb 0.55 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1m61 h ARG 175 CO -0.48 0.42 -0.17 -0.22 0.56 0.00 0.00 179.97 180.07 1m61 h LYS 176 N 0.65 0.96 -0.41 0.04 1.63 -1.00 -1.52 116.57 116.92 1m61 h LYS 176 Ca 0.55 -0.38 -0.15 0.00 -0.85 0.00 0.00 60.65 59.81 1m61 h LYS 176 Cb 0.88 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 1m61 h LYS 176 CO -0.41 1.05 -0.34 -0.07 -3.45 0.00 0.00 179.45 176.23 1m61 h LEU 177 N 0.84 1.00 -1.08 5.20 3.38 -0.54 -3.07 115.31 121.04 1m61 h LEU 177 Ca 0.12 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1m61 h LEU 177 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1m61 h LEU 177 CO 0.06 1.24 -0.23 1.88 0.09 0.00 0.00 178.44 181.47 1m61 h TYR 178 N 0.78 0.41 -1.06 1.13 0.05 -0.86 -3.36 116.97 114.06 1m61 h TYR 178 Ca 0.07 -0.08 -0.72 0.00 0.05 0.00 0.00 58.73 58.06 1m61 h TYR 178 Cb 0.93 -0.10 -0.11 0.00 1.01 0.00 0.00 36.73 38.46 1m61 h TYR 178 CO 0.06 0.58 2.21 0.43 -1.05 0.00 0.00 178.16 180.39 1m61 n SER 179 N -4.15 4.76 0.00 3.88 7.64 -0.58 -4.65 113.62 120.52 1m61 n SER 179 Ca -0.00 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1m61 n SER 179 Cb 0.37 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1m61 n SER 179 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m61 n GLY 180 N 4.13 0.94 0.20 0.23 0.00 -1.26 -4.93 105.19 104.51 1m61 n GLY 180 Ca 0.45 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.62 1m61 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m61 n ALA 181 N -3.00 2.62 -3.50 4.61 0.00 -1.26 -4.93 120.51 115.05 1m61 n ALA 181 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 1m61 n ALA 181 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1m61 n ALA 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1m61 n GLN 182 N -0.47 -0.93 -3.88 0.00 6.02 -1.26 -4.88 117.38 111.98 1m61 n GLN 182 Ca 0.20 0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.84 1m61 n GLN 182 Cb 0.20 -1.77 -0.06 0.00 1.02 0.00 0.00 30.24 29.62 1m61 n GLN 182 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1m61 s THR 183 N -3.78 5.47 -0.10 5.09 -4.23 -1.26 -4.56 115.64 112.28 1m61 s THR 183 Ca 0.03 0.20 -0.41 0.00 -1.18 0.00 0.00 61.69 60.33 1m61 s THR 183 Cb -0.01 -3.39 -0.19 0.00 1.34 0.00 0.00 72.50 70.24 1m61 s THR 183 CO 0.52 0.60 1.27 0.47 -0.54 0.00 0.00 174.62 176.94 1m61 n ASP 184 N 2.14 0.70 0.00 3.99 10.43 -1.26 -1.01 116.55 131.53 1m61 n ASP 184 Ca -0.20 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.32 1m61 n ASP 184 Cb 0.55 -0.98 0.00 0.00 1.84 0.00 0.00 41.12 42.53 1m61 n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1m61 n GLY 185 N 2.35 2.14 3.69 0.44 0.00 0.01 -4.73 105.19 109.09 1m61 n GLY 185 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1m61 n GLY 185 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m61 n LYS 186 N -2.00 2.49 -3.88 1.61 3.00 -0.18 -1.85 118.16 117.34 1m61 n LYS 186 Ca 0.00 0.90 -0.09 0.00 -0.00 0.00 0.00 58.31 59.12 1m61 n LYS 186 Cb 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 35.03 32.25 1m61 n LYS 186 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1m61 s PHE 187 N 1.65 0.19 0.18 5.64 -0.12 -0.67 -0.55 117.98 124.30 1m61 s PHE 187 Ca 0.79 -0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 56.98 1m61 s PHE 187 Cb -0.58 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.01 1m61 s PHE 187 CO 0.37 -0.87 0.46 -0.48 -0.05 0.00 0.00 175.22 174.65 1m61 s LEU 188 N -2.94 0.30 0.15 -1.99 0.05 -0.42 -0.71 118.68 113.12 1m61 s LEU 188 Ca 0.15 -0.56 0.09 0.00 0.05 0.00 0.00 54.13 53.87 1m61 s LEU 188 Cb 0.01 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 46.02 1m61 s LEU 188 CO 0.01 -1.01 -0.22 -0.76 -0.55 0.00 0.00 176.35 173.83 1m61 s LEU 189 N -2.89 2.38 0.05 1.48 1.02 0.29 -1.45 118.68 119.56 1m61 s LEU 189 Ca 0.11 -0.80 -0.22 0.00 0.02 0.00 0.00 54.13 53.24 1m61 s LEU 189 Cb 0.00 -0.98 0.05 0.00 0.02 0.00 0.00 46.19 45.28 1m61 s LEU 189 CO -0.03 0.06 0.50 0.00 0.02 0.00 0.00 176.35 176.90 1m61 s ARG 190 N -2.41 1.02 0.53 1.70 1.70 -0.62 -0.39 118.95 120.48 1m61 s ARG 190 Ca 0.14 -0.27 -0.18 0.00 -0.47 0.00 0.00 55.73 54.95 1m61 s ARG 190 Cb -0.08 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 1m61 s ARG 190 CO 0.07 -0.37 1.04 -2.14 -1.08 0.00 0.00 175.30 172.82 1m61 s PRO 191 N -2.49 3.62 0.28 3.89 0.02 -1.26 0.38 135.00 139.44 1m61 s PRO 191 Ca -0.05 1.28 0.09 0.00 0.02 0.00 0.00 61.00 62.34 1m61 s PRO 191 Cb -0.01 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1m61 s PRO 191 CO -0.02 -0.57 0.02 1.03 -0.33 0.00 0.00 177.00 177.12 1m61 s ARG 192 N -3.60 2.29 0.16 5.54 0.52 -0.65 -4.69 118.95 118.52 1m61 s ARG 192 Ca 0.65 -1.45 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 1m61 s ARG 192 Cb -0.16 -2.15 0.07 0.00 0.52 0.00 0.00 34.95 33.23 1m61 s ARG 192 CO 0.27 0.32 1.63 -0.22 0.02 0.00 0.00 175.30 177.32 1m61 h LYS 193 N 1.84 -0.18 -7.00 3.54 3.64 -1.98 -3.43 116.57 112.99 1m61 h LYS 193 Ca -0.44 0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 58.40 1m61 h LYS 193 Cb 1.25 0.04 0.17 0.00 -0.41 0.00 0.00 32.23 33.28 1m61 h LYS 193 CO 0.61 -0.12 0.22 0.39 -2.27 0.00 0.00 179.45 178.28 1m61 n GLU 194 N -5.38 0.63 -2.55 1.90 1.02 -1.26 -4.93 120.64 110.07 1m61 n GLU 194 Ca 0.01 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.99 1m61 n GLU 194 Cb 0.29 -2.31 -0.03 0.00 -0.02 0.00 0.00 31.44 29.38 1m61 n GLU 194 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1m61 s GLN 195 N -3.39 4.38 -0.39 3.49 0.74 -1.26 -3.43 119.66 119.79 1m61 s GLN 195 Ca 0.76 1.57 -0.00 0.00 0.05 0.00 0.00 55.36 57.73 1m61 s GLN 195 Cb -0.35 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.21 1m61 s GLN 195 CO 0.48 -0.40 0.03 0.41 -0.55 0.00 0.00 175.29 175.26 1m61 n GLY 196 N 3.26 0.23 2.98 2.59 0.00 -1.26 -4.87 105.19 108.12 1m61 n GLY 196 Ca 0.10 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1m61 n GLY 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m61 s THR 197 N -2.33 0.52 0.25 2.61 -4.23 -1.22 0.17 115.64 111.40 1m61 s THR 197 Ca 0.02 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1m61 s THR 197 Cb -0.01 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1m61 s THR 197 CO 0.02 0.15 0.15 -0.31 -0.54 0.00 0.00 174.62 174.08 1m61 s TYR 198 N -0.13 1.42 -0.06 3.99 1.51 0.14 -1.64 117.35 122.58 1m61 s TYR 198 Ca 0.02 -1.37 0.01 0.00 -1.01 0.00 0.00 57.07 54.72 1m61 s TYR 198 Cb -0.03 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1m61 s TYR 198 CO -0.00 -0.57 -0.07 0.00 -1.11 0.00 0.00 175.55 173.79 1m61 s ALA 199 N -3.85 0.97 -0.11 3.71 0.00 0.16 -0.03 121.76 122.62 1m61 s ALA 199 Ca 0.38 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 1m61 s ALA 199 Cb 0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1m61 s ALA 199 CO 0.16 -0.06 0.46 -1.17 0.00 0.00 0.00 175.76 175.15 1m61 s LEU 200 N 1.01 4.29 -0.14 0.00 0.20 0.14 -1.59 118.68 122.59 1m61 s LEU 200 Ca -0.09 0.80 -0.00 0.00 0.69 0.00 0.00 54.13 55.53 1m61 s LEU 200 Cb -0.14 -2.67 0.03 0.00 -0.43 0.00 0.00 46.19 42.98 1m61 s LEU 200 CO -0.00 0.03 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.55 1m61 s SER 201 N 0.50 2.56 0.22 3.68 0.01 -0.53 0.50 113.70 120.65 1m61 s SER 201 Ca 0.25 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.08 1m61 s SER 201 Cb -0.15 -1.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 1m61 s SER 201 CO 0.10 -0.11 -0.05 -1.48 0.41 0.00 0.00 173.24 172.11 1m61 s LEU 202 N 1.59 2.35 0.03 2.44 0.05 -0.67 -1.30 118.68 123.18 1m61 s LEU 202 Ca 0.04 -1.15 0.05 0.00 0.05 0.00 0.00 54.13 53.12 1m61 s LEU 202 Cb -0.13 -0.39 -0.03 0.00 -2.05 0.00 0.00 46.19 43.58 1m61 s LEU 202 CO -0.09 -0.41 -0.12 -0.51 -0.55 0.00 0.00 176.35 174.67 1m61 s ILE 203 N -3.28 3.21 -0.22 1.48 2.07 0.28 -1.13 121.20 123.62 1m61 s ILE 203 Ca 0.26 -1.02 -0.11 0.00 -1.41 0.00 0.00 60.65 58.36 1m61 s ILE 203 Cb 0.04 -2.39 0.07 0.00 0.13 0.00 0.00 42.46 40.31 1m61 s ILE 203 CO 0.07 0.34 0.52 -0.47 -1.91 0.00 0.00 174.94 173.49 1m61 s TYR 204 N -0.99 -0.82 -1.17 3.50 5.04 -0.12 -0.81 117.35 121.98 1m61 s TYR 204 Ca 0.16 1.66 -0.02 0.00 -2.44 0.00 0.00 57.07 56.44 1m61 s TYR 204 Cb -0.11 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1m61 s TYR 204 CO 0.07 -0.44 0.98 0.41 -1.34 0.00 0.00 175.55 175.24 1m61 n GLY 205 N 4.46 -0.35 2.46 8.97 0.00 -1.26 -2.26 105.19 117.21 1m61 n GLY 205 Ca -0.20 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1m61 n GLY 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m61 n LYS 206 N -4.13 -2.69 -4.29 1.61 4.76 -1.26 -4.90 118.16 107.26 1m61 n LYS 206 Ca -0.22 0.22 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1m61 n LYS 206 Cb 0.64 -4.76 -0.14 0.00 -1.84 0.00 0.00 35.03 28.94 1m61 n LYS 206 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1m61 s THR 207 N -2.22 0.73 -0.05 -0.18 2.01 -0.96 -5.09 115.64 109.88 1m61 s THR 207 Ca 0.00 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 1m61 s THR 207 Cb 0.00 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1m61 s THR 207 CO 0.00 0.05 0.32 -0.69 -0.69 0.00 0.00 174.62 173.60 1m61 s VAL 208 N -0.54 5.21 0.04 3.82 1.01 -1.26 -0.95 120.40 127.73 1m61 s VAL 208 Ca 0.01 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.67 1m61 s VAL 208 Cb -0.05 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1m61 s VAL 208 CO 0.00 0.57 -0.19 -0.31 0.00 0.00 0.00 175.10 175.17 1m61 s TYR 209 N -0.88 1.68 -0.07 5.22 2.02 -0.29 -5.01 117.35 120.02 1m61 s TYR 209 Ca 0.20 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.58 1m61 s TYR 209 Cb -0.15 -1.00 -0.00 0.00 -0.40 0.00 0.00 41.96 40.41 1m61 s TYR 209 CO 0.09 0.07 -0.22 -1.01 -1.57 0.00 0.00 175.55 172.92 1m61 s HIS 210 N -0.79 2.22 -0.05 2.71 3.76 -1.26 -1.67 115.29 120.21 1m61 s HIS 210 Ca 0.06 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.24 1m61 s HIS 210 Cb -0.08 -1.49 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 1m61 s HIS 210 CO 0.02 -0.29 -0.20 0.71 -0.85 0.00 0.00 174.74 174.12 1m61 s TYR 211 N 0.16 2.02 0.09 1.40 1.51 0.18 -4.95 117.35 117.76 1m61 s TYR 211 Ca -0.11 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 55.04 1m61 s TYR 211 Cb -0.15 -1.35 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1m61 s TYR 211 CO 0.05 -0.21 0.99 -1.17 -1.11 0.00 0.00 175.55 174.11 1m61 s LEU 212 N 0.01 4.46 -0.17 -1.29 2.96 -1.26 0.27 118.68 123.67 1m61 s LEU 212 Ca -0.05 1.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.68 1m61 s LEU 212 Cb -0.13 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1m61 s LEU 212 CO 0.03 -0.15 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.10 1m61 s ILE 213 N 0.26 1.91 0.19 6.68 1.01 0.96 -4.24 121.20 127.98 1m61 s ILE 213 Ca 0.49 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 60.39 1m61 s ILE 213 Cb -0.24 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1m61 s ILE 213 CO 0.30 0.52 -0.14 -0.44 0.00 0.00 0.00 174.94 175.18 1m61 s SER 214 N 1.32 4.02 -0.21 3.58 0.01 0.14 0.24 113.70 122.80 1m61 s SER 214 Ca 0.04 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.59 1m61 s SER 214 Cb -0.13 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 1m61 s SER 214 CO -0.12 0.10 -0.03 -1.58 0.41 0.00 0.00 173.24 172.03 1m61 s GLN 215 N -2.82 3.46 0.81 12.44 0.74 0.13 -1.55 119.66 132.87 1m61 s GLN 215 Ca 0.24 -0.59 -0.12 0.00 0.05 0.00 0.00 55.36 54.94 1m61 s GLN 215 Cb -0.08 -3.03 0.09 0.00 1.10 0.00 0.00 33.01 31.08 1m61 s GLN 215 CO 0.14 -0.12 1.18 0.16 -0.55 0.00 0.00 175.29 176.09 1m61 s ASP 216 N 1.30 4.42 0.32 6.67 1.47 -0.18 -4.87 116.67 125.80 1m61 s ASP 216 Ca 0.04 0.71 0.09 0.00 1.18 0.00 0.00 52.55 54.57 1m61 s ASP 216 Cb -0.14 -1.18 0.91 0.00 -0.34 0.00 0.00 42.92 42.17 1m61 s ASP 216 CO -0.01 -1.95 1.68 0.11 0.68 0.00 0.00 175.17 175.69 1m61 h LYS 217 N -1.06 0.37 0.00 2.11 1.57 -2.00 0.60 116.57 118.16 1m61 h LYS 217 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1m61 h LYS 217 Cb 1.32 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1m61 h LYS 217 CO 0.63 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 1m61 h ALA 218 N 1.79 1.00 0.00 3.86 0.00 -2.04 -3.45 119.26 120.41 1m61 h ALA 218 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1m61 h ALA 218 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1m61 h ALA 218 CO -0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.09 1m61 n GLY 219 N -0.83 0.89 3.64 0.00 0.00 0.21 -4.82 105.19 104.29 1m61 n GLY 219 Ca -0.02 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1m61 n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m61 s LYS 220 N -0.87 2.37 0.27 1.61 1.02 -1.25 -4.84 119.74 118.04 1m61 s LYS 220 Ca 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.09 1m61 s LYS 220 Cb 0.00 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1m61 s LYS 220 CO 0.00 0.51 0.37 0.71 -0.92 0.00 0.00 175.35 176.02 1m61 s TYR 221 N -1.36 3.33 -0.14 3.18 1.51 0.46 -1.01 117.35 123.32 1m61 s TYR 221 Ca 0.25 -0.08 -0.34 0.00 -1.01 0.00 0.00 57.07 55.89 1m61 s TYR 221 Cb -0.11 -1.66 0.13 0.00 -0.11 0.00 0.00 41.96 40.21 1m61 s TYR 221 CO 0.17 0.33 1.19 0.00 -1.11 0.00 0.00 175.55 176.13 1m61 s ILE 223 N -2.50 2.41 0.29 0.00 -4.36 -1.26 -0.68 121.20 115.10 1m61 s ILE 223 Ca 0.10 -1.25 -0.04 0.00 -0.26 0.00 0.00 60.65 59.20 1m61 s ILE 223 Cb -0.00 -2.66 0.42 0.00 1.25 0.00 0.00 42.46 41.47 1m61 s ILE 223 CO -0.05 0.00 1.57 -0.65 0.24 0.00 0.00 174.94 176.05 1m61 h PRO 224 N 0.74 0.01 -1.48 0.37 0.11 -1.93 -0.17 132.00 129.64 1m61 h PRO 224 Ca -0.38 -0.00 0.44 0.00 0.11 0.00 0.00 66.00 66.17 1m61 h PRO 224 Cb 1.28 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1m61 h PRO 224 CO 0.52 0.01 1.04 0.93 -0.21 0.00 0.00 178.00 180.29 1m61 h GLU 225 N 0.01 0.04 0.00 1.05 4.39 -1.96 -3.45 114.58 114.67 1m61 h GLU 225 Ca 0.52 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1m61 h GLU 225 Cb 0.93 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1m61 h GLU 225 CO -0.95 0.03 0.00 0.41 -1.16 0.00 0.00 179.01 177.34 1m61 n GLY 226 N -1.76 0.47 3.73 -3.84 0.00 -0.08 -5.07 105.19 98.64 1m61 n GLY 226 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1m61 n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m61 s THR 227 N -2.00 3.88 0.01 2.61 2.01 -1.26 -4.96 115.64 115.94 1m61 s THR 227 Ca 0.00 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.52 1m61 s THR 227 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1m61 s THR 227 CO 0.00 0.20 0.01 -0.54 -0.69 0.00 0.00 174.62 173.60 1m61 s LYS 228 N 0.19 2.78 0.05 4.92 1.02 -1.26 -4.29 119.74 123.16 1m61 s LYS 228 Ca 0.53 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1m61 s LYS 228 Cb -0.30 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1m61 s LYS 228 CO 0.33 0.61 -0.05 -0.06 -0.92 0.00 0.00 175.35 175.27 1m61 s PHE 229 N -1.14 0.58 0.03 3.18 0.40 0.20 -3.99 117.98 117.23 1m61 s PHE 229 Ca 0.21 -0.85 -0.25 0.00 -0.60 0.00 0.00 56.93 55.44 1m61 s PHE 229 Cb -0.12 -0.38 -0.17 0.00 0.51 0.00 0.00 43.02 42.86 1m61 s PHE 229 CO 0.12 -0.24 1.40 -0.44 0.70 0.00 0.00 175.22 176.76 1m61 h ASP 230 N 3.59 -0.23 -3.30 1.36 3.45 -1.88 0.13 116.42 119.54 1m61 h ASP 230 Ca -0.34 -0.19 -0.45 0.00 0.43 0.00 0.00 57.03 56.48 1m61 h ASP 230 Cb 1.17 0.06 -0.15 0.00 -0.56 0.00 0.00 39.33 39.85 1m61 h ASP 230 CO 0.57 0.07 -0.74 0.42 -1.57 0.00 0.00 179.24 177.99 1m61 s THR 231 N -5.06 1.71 0.22 0.35 -4.23 -1.26 -4.56 115.64 102.81 1m61 s THR 231 Ca -0.15 -2.16 -0.08 0.00 -1.18 0.00 0.00 61.69 58.12 1m61 s THR 231 Cb 0.03 -2.00 0.19 0.00 1.34 0.00 0.00 72.50 72.07 1m61 s THR 231 CO 0.61 -0.57 1.86 -0.07 -0.54 0.00 0.00 174.62 175.91 1m61 h LEU 232 N 2.67 1.04 -0.05 4.79 3.38 -1.92 -0.90 115.31 124.31 1m61 h LEU 232 Ca -0.38 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1m61 h LEU 232 Cb 1.22 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1m61 h LEU 232 CO 0.61 0.81 -0.38 -0.25 0.09 0.00 0.00 178.44 179.32 1m61 h TRP 233 N 1.18 -1.06 -0.46 1.13 -0.00 -1.93 0.82 115.95 115.62 1m61 h TRP 233 Ca 0.31 0.04 0.08 0.00 -0.00 0.00 0.00 58.89 59.31 1m61 h TRP 233 Cb -0.03 0.47 -0.07 0.00 -0.00 0.00 0.00 29.16 29.54 1m61 h TRP 233 CO 0.00 -0.46 0.08 1.96 -0.00 0.00 0.00 178.44 180.02 1m61 h GLN 234 N -0.50 0.21 -0.69 2.65 4.20 -1.67 -0.20 115.11 119.09 1m61 h GLN 234 Ca 0.07 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1m61 h GLN 234 Cb 0.61 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1m61 h GLN 234 CO -0.33 0.14 0.44 1.25 -0.67 0.00 0.00 178.83 179.66 1m61 h LEU 235 N 0.21 0.74 -0.25 1.46 5.85 0.13 -0.97 115.31 122.48 1m61 h LEU 235 Ca 0.23 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1m61 h LEU 235 Cb 0.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1m61 h LEU 235 CO -0.31 0.52 0.08 0.58 -0.34 0.00 0.00 178.44 178.97 1m61 h VAL 236 N 0.87 1.19 0.00 1.05 2.07 0.15 -0.11 116.25 121.48 1m61 h VAL 236 Ca 0.27 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1m61 h VAL 236 Cb -0.02 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1m61 h VAL 236 CO -0.09 0.20 -0.13 -0.08 0.02 0.00 0.00 177.57 177.49 1m61 h GLU 237 N 0.24 0.00 0.19 1.57 4.57 -0.89 -1.80 114.58 118.46 1m61 h GLU 237 Ca 0.08 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.96 1m61 h GLU 237 Cb 0.23 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1m61 h GLU 237 CO -0.00 0.13 -1.43 -0.92 -1.18 0.00 0.00 179.01 175.61 1m61 h TYR 238 N 0.00 0.72 0.00 0.92 3.20 -0.83 -3.24 116.97 117.74 1m61 h TYR 238 Ca -0.00 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1m61 h TYR 238 Cb 0.36 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1m61 h TYR 238 CO 0.00 1.55 0.00 1.28 -1.64 0.00 0.00 178.16 179.35 1m61 n LEU 239 N -3.80 0.30 0.18 2.82 4.77 -0.08 -0.23 117.00 120.95 1m61 n LEU 239 Ca -0.20 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1m61 n LEU 239 Cb 1.00 -0.57 0.13 0.00 -2.33 0.00 0.00 43.42 41.65 1m61 n LEU 239 CO 0.52 -0.50 0.58 0.11 -1.33 0.00 0.00 177.39 176.77 1m61 h LYS 240 N 0.00 0.00 0.04 3.23 1.57 -1.37 -2.55 116.57 117.49 1m61 h LYS 240 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1m61 h LYS 240 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1m61 h LYS 240 CO 0.00 0.00 -1.92 1.28 -0.57 0.00 0.00 179.45 178.24 1m61 n LEU 241 N -2.95 2.30 -4.00 2.94 4.77 0.68 -4.66 117.00 116.08 1m61 n LEU 241 Ca 0.03 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 1m61 n LEU 241 Cb 0.53 -0.98 -0.16 0.00 -2.33 0.00 0.00 43.42 40.48 1m61 n LEU 241 CO 0.36 0.62 -0.45 -0.54 -1.33 0.00 0.00 177.39 176.04 1m61 s LYS 242 N -2.48 1.38 0.00 3.23 1.02 -0.07 -5.01 119.74 117.81 1m61 s LYS 242 Ca -0.30 -0.33 0.07 0.00 0.02 0.00 0.00 55.97 55.43 1m61 s LYS 242 Cb 0.08 -1.19 0.41 0.00 -0.52 0.00 0.00 37.83 36.61 1m61 s LYS 242 CO 0.63 0.03 0.89 0.00 -0.92 0.00 0.00 175.35 175.98 1m61 n ALA 243 N 3.74 2.07 0.00 5.17 0.00 -1.26 -4.26 120.51 125.97 1m61 n ALA 243 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1m61 n ALA 243 Cb 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1m61 n ALA 243 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m61 n ASP 244 N -0.70 0.00 0.00 0.00 9.92 -1.26 0.41 116.55 124.92 1m61 n ASP 244 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1m61 n ASP 244 Cb 0.02 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 1m61 n ASP 244 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m61 n GLY 245 N 0.00 2.79 3.80 0.44 0.00 -1.26 -4.59 105.19 106.37 1m61 n GLY 245 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1m61 n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m61 s LEU 246 N 0.00 3.46 0.45 0.99 1.43 1.39 -4.94 118.68 121.46 1m61 s LEU 246 Ca 0.00 1.79 0.22 0.00 -1.03 0.00 0.00 54.13 55.11 1m61 s LEU 246 Cb 0.00 -4.53 1.08 0.00 0.03 0.00 0.00 46.19 42.77 1m61 s LEU 246 CO 0.00 -1.19 1.93 -0.29 0.23 0.00 0.00 176.35 177.02 1m61 h ILE 247 N 0.31 0.78 -2.47 -0.59 2.10 -1.98 -3.46 117.51 112.20 1m61 h ILE 247 Ca -0.46 -0.94 -0.02 0.00 1.08 0.00 0.00 64.86 64.51 1m61 h ILE 247 Cb 1.22 1.57 -0.16 0.00 -1.09 0.00 0.00 36.82 38.37 1m61 h ILE 247 CO 0.57 0.23 0.24 -0.47 -1.08 0.00 0.00 178.15 177.64 1m61 s TYR 248 N -4.03 -0.57 0.41 2.19 6.14 -1.26 -5.11 117.35 115.11 1m61 s TYR 248 Ca -0.02 0.67 -0.24 0.00 0.64 0.00 0.00 57.07 58.12 1m61 s TYR 248 Cb 0.13 0.49 -0.08 0.00 0.42 0.00 0.00 41.96 42.91 1m61 s TYR 248 CO 0.64 -0.71 1.10 0.00 0.64 0.00 0.00 175.55 177.22 1m61 s LEU 250 N -2.68 4.40 0.00 0.00 1.43 -0.96 -4.39 118.68 116.48 1m61 s LEU 250 Ca 0.59 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 56.42 1m61 s LEU 250 Cb -0.25 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1m61 s LEU 250 CO 0.31 -0.62 0.00 0.29 0.23 0.00 0.00 176.35 176.56 1m61 n LYS 251 N 1.15 0.00 -3.32 1.70 4.76 -0.77 -4.41 118.16 117.27 1m61 n LYS 251 Ca 0.02 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.08 1m61 n LYS 251 Cb 0.41 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.54 1m61 n LYS 251 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1m61 s GLU 252 N 0.18 4.14 0.07 1.97 2.12 -1.24 -4.96 118.70 120.98 1m61 s GLU 252 Ca 0.00 0.67 -0.24 0.00 0.36 0.00 0.00 54.97 55.76 1m61 s GLU 252 Cb 0.00 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 1m61 s GLU 252 CO 0.00 0.64 0.73 0.00 -0.54 0.00 0.00 175.26 176.09 1m61 s ALA 253 N -1.13 3.42 -0.61 6.30 0.00 -1.26 -1.66 121.76 126.82 1m61 s ALA 253 Ca 0.29 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.27 1m61 s ALA 253 Cb -0.19 -2.93 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1m61 s ALA 253 CO 0.18 0.16 0.95 0.00 0.00 0.00 0.00 175.76 177.05 1m61 n PRO 255 N 7.59 0.00 0.00 0.00 -0.02 -1.26 -4.64 135.00 136.66 1m61 n PRO 255 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1m61 n PRO 255 Cb 0.46 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 33.21 1m61 n PRO 255 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75