#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhe s ARG 2 N 0.00 1.27 -0.29 0.00 0.52 -1.26 -5.08 118.95 114.10 3dhe s ARG 2 Ca 0.00 -1.00 -0.17 0.00 -0.52 0.00 0.00 55.73 54.04 3dhe s ARG 2 Cb 0.00 0.45 -0.09 0.00 0.52 0.00 0.00 34.95 35.84 3dhe s ARG 2 CO 0.00 -0.51 1.01 2.41 0.02 0.00 0.00 175.30 178.23 3dhe n THR 3 N -0.28 0.00 -3.02 0.02 -1.04 -1.04 -4.46 114.28 104.46 3dhe n THR 3 Ca -0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 3dhe n THR 3 Cb 0.63 -0.21 -0.06 0.00 -1.82 0.00 0.00 70.33 68.86 3dhe n THR 3 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3dhe s VAL 4 N 3.04 4.74 -0.10 12.58 1.01 -1.26 -1.71 120.40 138.69 3dhe s VAL 4 Ca 0.54 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 3dhe s VAL 4 Cb -0.61 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.49 3dhe s VAL 4 CO 0.26 -0.60 0.02 -0.69 0.00 0.00 0.00 175.10 174.09 3dhe s VAL 5 N 3.06 4.45 -0.11 2.92 1.01 -0.36 -0.44 120.40 130.93 3dhe s VAL 5 Ca 0.27 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3dhe s VAL 5 Cb -0.13 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3dhe s VAL 5 CO 0.20 0.59 -0.14 -0.22 0.00 0.00 0.00 175.10 175.53 3dhe s LEU 6 N -0.71 1.65 -0.00 3.92 0.20 -0.42 -1.13 118.68 122.19 3dhe s LEU 6 Ca 0.11 -0.40 0.08 0.00 0.69 0.00 0.00 54.13 54.61 3dhe s LEU 6 Cb -0.12 -1.04 -0.02 0.00 -0.43 0.00 0.00 46.19 44.58 3dhe s LEU 6 CO 0.02 -0.01 -0.26 -0.63 -0.29 0.00 0.00 176.35 175.19 3dhe s ILE 7 N 1.09 2.02 0.09 6.68 1.01 -0.60 -1.41 121.20 130.08 3dhe s ILE 7 Ca -0.05 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.48 3dhe s ILE 7 Cb -0.14 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3dhe s ILE 7 CO -0.03 0.52 0.12 0.42 0.00 0.00 0.00 174.94 175.97 3dhe s THR 8 N -0.64 4.73 -0.88 2.92 -4.23 -1.08 -1.21 115.64 115.25 3dhe s THR 8 Ca 0.10 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3dhe s THR 8 Cb -0.10 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.38 3dhe s THR 8 CO -0.00 0.09 0.77 0.61 -0.54 0.00 0.00 174.62 175.54 3dhe n GLY 9 N 0.29 -0.78 1.25 3.99 0.00 -1.15 -2.84 105.19 105.96 3dhe n GLY 9 Ca -0.08 0.41 0.08 0.00 0.00 0.00 0.00 46.02 46.44 3dhe n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhe n SER 11 N 1.02 0.00 0.00 0.00 3.41 -1.26 -3.77 113.62 113.02 3dhe n SER 11 Ca 0.21 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3dhe n SER 11 Cb 0.65 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3dhe n SER 11 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dhe n SER 12 N -1.43 0.00 0.00 4.04 3.41 -1.26 -4.82 113.62 113.56 3dhe n SER 12 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3dhe n SER 12 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3dhe n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dhe n GLY 13 N -0.33 0.78 0.30 5.00 0.00 -1.26 -3.26 105.19 106.42 3dhe n GLY 13 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.34 3dhe n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dhe h ILE 14 N 0.00 0.24 -0.08 -0.61 1.08 -1.95 -2.01 117.51 114.18 3dhe h ILE 14 Ca 0.00 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 3dhe h ILE 14 Cb 0.00 0.17 -0.06 0.00 -3.07 0.00 0.00 36.82 33.87 3dhe h ILE 14 CO 0.00 0.01 -0.30 1.23 -0.69 0.00 0.00 178.15 178.40 3dhe h GLY 15 N 0.06 -0.43 0.96 5.37 0.00 -1.72 0.16 103.07 107.47 3dhe h GLY 15 Ca 0.44 0.37 -0.00 0.00 0.00 0.00 0.00 47.33 48.13 3dhe h GLY 15 CO -0.76 -0.22 0.17 -2.00 0.00 0.00 0.00 176.54 173.73 3dhe h LEU 16 N -0.40 0.37 -0.68 3.11 6.46 -1.36 -1.62 115.31 121.18 3dhe h LEU 16 Ca 0.08 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 3dhe h LEU 16 Cb 0.53 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 3dhe h LEU 16 CO -0.31 0.34 0.15 0.45 -0.62 0.00 0.00 178.44 178.45 3dhe h HIS 17 N 0.36 1.17 -0.43 1.25 3.86 -1.25 -2.74 115.15 117.37 3dhe h HIS 17 Ca 0.10 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3dhe h HIS 17 Cb 0.05 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 3dhe h HIS 17 CO -0.03 0.96 0.13 1.25 0.86 0.00 0.00 177.93 181.09 3dhe h LEU 18 N 1.03 0.63 -0.06 2.43 7.12 -0.55 -1.41 115.31 124.51 3dhe h LEU 18 Ca 0.21 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 58.03 3dhe h LEU 18 Cb 0.40 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 3dhe h LEU 18 CO 0.01 0.68 -0.04 0.00 -0.13 0.00 0.00 178.44 178.95 3dhe h ALA 19 N 0.98 0.01 -0.17 1.25 0.00 -1.13 -0.59 119.26 119.61 3dhe h ALA 19 Ca 0.14 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3dhe h ALA 19 Cb 0.27 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dhe h ALA 19 CO -0.00 -0.52 -0.46 -0.39 0.00 0.00 0.00 179.25 177.88 3dhe h VAL 20 N -0.05 1.32 -0.79 0.00 -1.51 -1.51 0.35 116.25 114.07 3dhe h VAL 20 Ca 0.04 -1.66 -0.02 0.00 -1.23 0.00 0.00 66.70 63.84 3dhe h VAL 20 Cb 0.11 1.69 -0.04 0.00 -2.13 0.00 0.00 31.29 30.92 3dhe h VAL 20 CO -0.09 0.51 0.43 -0.09 -1.23 0.00 0.00 177.57 177.09 3dhe h ARG 21 N 0.35 1.09 0.35 5.19 9.65 -0.93 0.14 114.38 130.22 3dhe h ARG 21 Ca 0.02 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3dhe h ARG 21 Cb 0.95 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 3dhe h ARG 21 CO 0.08 0.80 -0.17 -0.07 2.80 0.00 0.00 179.97 183.41 3dhe h LEU 22 N 1.10 -0.40 -1.10 3.80 4.07 -0.83 -3.11 115.31 118.84 3dhe h LEU 22 Ca 0.28 0.01 0.19 0.00 0.08 0.00 0.00 57.88 58.45 3dhe h LEU 22 Cb 0.03 0.10 -0.10 0.00 1.08 0.00 0.00 40.66 41.77 3dhe h LEU 22 CO -0.04 0.03 0.61 0.00 -1.08 0.00 0.00 178.44 177.96 3dhe h ALA 23 N -1.15 1.77 -0.36 1.53 0.00 -0.86 -0.89 119.26 119.31 3dhe h ALA 23 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dhe h ALA 23 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dhe h ALA 23 CO 0.08 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 3dhe n SER 24 N -4.72 2.18 -4.73 0.00 3.41 0.47 -4.58 113.62 105.65 3dhe n SER 24 Ca 0.23 -2.06 -0.42 0.00 -0.26 0.00 0.00 58.87 56.36 3dhe n SER 24 Cb 0.60 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3dhe n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dhe s ASP 25 N -0.92 6.46 0.37 4.04 2.15 -0.34 -4.89 116.67 123.54 3dhe s ASP 25 Ca 0.25 2.80 0.15 0.00 0.43 0.00 0.00 52.55 56.19 3dhe s ASP 25 Cb 0.14 -2.61 1.02 0.00 -0.30 0.00 0.00 42.92 41.17 3dhe s ASP 25 CO 0.16 -0.89 1.76 -0.65 -0.17 0.00 0.00 175.17 175.38 3dhe h PRO 26 N 6.05 0.46 0.00 4.34 0.11 -1.91 -0.35 132.00 140.70 3dhe h PRO 26 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3dhe h PRO 26 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dhe h PRO 26 CO 0.88 0.30 -0.05 0.66 -0.21 0.00 0.00 178.00 179.58 3dhe h SER 27 N 0.47 0.00 -2.41 -2.05 4.64 -1.97 -3.46 113.55 108.77 3dhe h SER 27 Ca 0.61 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.56 3dhe h SER 27 Cb 1.39 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.41 3dhe h SER 27 CO -0.36 0.05 -0.42 0.00 -0.87 0.00 0.00 176.83 175.23 3dhe n GLN 28 N -3.38 -1.67 -0.18 4.77 6.02 -0.14 -4.85 117.38 117.95 3dhe n GLN 28 Ca -0.02 0.97 0.09 0.00 -0.01 0.00 0.00 57.00 58.04 3dhe n GLN 28 Cb 0.20 -5.50 0.26 0.00 1.02 0.00 0.00 30.24 26.22 3dhe n GLN 28 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dhe n SER 29 N -1.62 2.40 -4.30 1.08 3.41 -1.26 -4.89 113.62 108.44 3dhe n SER 29 Ca -0.21 -1.91 -0.32 0.00 -0.26 0.00 0.00 58.87 56.18 3dhe n SER 29 Cb 0.64 -0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 3dhe n SER 29 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dhe s PHE 30 N -1.52 2.50 -0.22 7.33 0.08 -1.26 -2.49 117.98 122.39 3dhe s PHE 30 Ca 0.33 -0.66 -0.03 0.00 0.12 0.00 0.00 56.93 56.70 3dhe s PHE 30 Cb 0.18 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 3dhe s PHE 30 CO 0.25 -0.17 -0.07 0.21 -0.10 0.00 0.00 175.22 175.33 3dhe s LYS 31 N -0.19 3.18 -0.16 0.44 2.47 -0.69 -4.73 119.74 120.06 3dhe s LYS 31 Ca -0.02 -0.75 -0.05 0.00 -1.56 0.00 0.00 55.97 53.59 3dhe s LYS 31 Cb -0.14 -2.94 -0.03 0.00 -1.46 0.00 0.00 37.83 33.26 3dhe s LYS 31 CO 0.03 -0.25 0.01 0.08 0.16 0.00 0.00 175.35 175.38 3dhe s VAL 32 N 1.41 4.33 -0.44 4.02 1.01 0.16 -1.22 120.40 129.67 3dhe s VAL 32 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3dhe s VAL 32 Cb -0.15 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 33.43 3dhe s VAL 32 CO -0.05 0.49 0.25 -0.31 0.00 0.00 0.00 175.10 175.48 3dhe s TYR 33 N 0.24 3.55 -0.10 5.22 2.02 -0.29 -0.89 117.35 127.10 3dhe s TYR 33 Ca 0.01 -2.36 -0.22 0.00 -0.37 0.00 0.00 57.07 54.12 3dhe s TYR 33 Cb -0.13 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 3dhe s TYR 33 CO 0.02 -0.96 0.65 0.00 -1.57 0.00 0.00 175.55 173.68 3dhe s ALA 34 N 1.04 3.40 -0.01 3.71 0.00 0.24 -1.55 121.76 128.60 3dhe s ALA 34 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 3dhe s ALA 34 Cb -0.23 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3dhe s ALA 34 CO -0.04 -0.17 0.08 0.99 0.00 0.00 0.00 175.76 176.62 3dhe s THR 35 N 0.99 4.72 -0.01 0.00 2.01 -0.35 -0.98 115.64 122.03 3dhe s THR 35 Ca 0.34 -0.39 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 3dhe s THR 35 Cb -0.17 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.20 3dhe s THR 35 CO 0.15 0.37 0.18 -0.76 -0.69 0.00 0.00 174.62 173.87 3dhe s LEU 36 N -1.68 1.38 -0.02 4.42 1.02 -0.47 -0.71 118.68 122.61 3dhe s LEU 36 Ca 0.22 -0.09 -0.23 0.00 0.02 0.00 0.00 54.13 54.06 3dhe s LEU 36 Cb -0.12 0.80 -0.16 0.00 0.02 0.00 0.00 46.19 46.74 3dhe s LEU 36 CO 0.13 -0.36 1.05 -0.09 0.02 0.00 0.00 176.35 177.11 3dhe h ARG 37 N 4.34 -0.36 -5.13 1.70 2.43 -1.88 0.11 114.38 115.60 3dhe h ARG 37 Ca -0.30 0.02 -0.65 0.00 -0.81 0.00 0.00 59.98 58.24 3dhe h ARG 37 Cb 1.19 0.08 -0.26 0.00 -0.42 0.00 0.00 29.97 30.56 3dhe h ARG 37 CO 0.40 -0.01 -0.72 -0.51 -1.51 0.00 0.00 179.97 177.62 3dhe s ASP 38 N -5.18 4.34 0.38 -3.80 1.01 -1.26 -4.48 116.67 107.67 3dhe s ASP 38 Ca -0.13 -0.32 0.15 0.00 0.71 0.00 0.00 52.55 52.95 3dhe s ASP 38 Cb 0.01 -1.72 0.76 0.00 1.01 0.00 0.00 42.92 42.99 3dhe s ASP 38 CO 0.49 0.06 1.82 -0.07 0.21 0.00 0.00 175.17 177.68 3dhe h LEU 39 N 7.51 0.00 0.00 1.23 3.38 -1.95 -2.99 115.31 122.49 3dhe h LEU 39 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3dhe h LEU 39 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dhe h LEU 39 CO 0.60 0.37 0.00 2.29 0.09 0.00 0.00 178.44 181.78 3dhe n LYS 40 N -3.96 0.00 -0.13 1.13 2.85 -1.26 -0.07 118.16 116.72 3dhe n LYS 40 Ca -0.02 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.29 3dhe n LYS 40 Cb 0.42 -1.41 0.11 0.00 -0.65 0.00 0.00 35.03 33.50 3dhe n LYS 40 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3dhe n THR 41 N -0.90 1.33 0.87 0.58 -2.24 -1.13 -4.62 114.28 108.17 3dhe n THR 41 Ca 0.00 -1.33 0.11 0.00 -2.27 0.00 0.00 64.05 60.55 3dhe n THR 41 Cb 0.00 0.27 0.51 0.00 -2.10 0.00 0.00 70.33 69.01 3dhe n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhe n GLN 42 N -0.33 0.11 -0.01 -0.78 10.64 0.89 -4.13 117.38 123.77 3dhe n GLN 42 Ca 0.09 0.10 -0.10 0.00 -1.83 0.00 0.00 57.00 55.27 3dhe n GLN 42 Cb 0.46 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.28 3dhe n GLN 42 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 3dhe h GLY 43 N 3.79 -1.27 -0.12 2.61 0.00 -1.82 -1.99 103.07 104.28 3dhe h GLY 43 Ca 0.00 0.69 0.25 0.00 0.00 0.00 0.00 47.33 48.27 3dhe h GLY 43 CO 0.00 -0.34 0.63 3.21 0.00 0.00 0.00 176.54 180.04 3dhe h ARG 44 N -0.36 0.49 -0.18 4.80 3.08 -1.92 0.97 114.38 121.27 3dhe h ARG 44 Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3dhe h ARG 44 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3dhe h ARG 44 CO -0.29 0.33 0.03 1.25 -1.07 0.00 0.00 179.97 180.22 3dhe h LEU 45 N 0.51 0.28 -0.54 3.04 5.85 -1.64 -0.89 115.31 121.92 3dhe h LEU 45 Ca 0.62 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 3dhe h LEU 45 Cb 1.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3dhe h LEU 45 CO -0.38 0.47 0.01 -0.50 -0.34 0.00 0.00 178.44 177.70 3dhe h TRP 46 N 0.08 1.04 -0.89 1.25 -0.00 -0.47 -0.20 115.95 116.76 3dhe h TRP 46 Ca 0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.89 58.76 3dhe h TRP 46 Cb 0.31 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.16 3dhe h TRP 46 CO 0.02 0.94 0.51 1.49 -0.00 0.00 0.00 178.44 181.40 3dhe h GLU 47 N 0.83 1.22 -0.03 0.49 4.81 -0.82 -1.30 114.58 119.78 3dhe h GLU 47 Ca 0.15 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 3dhe h GLU 47 Cb 0.52 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3dhe h GLU 47 CO 0.03 0.88 -0.54 0.00 -0.73 0.00 0.00 179.01 178.64 3dhe h ALA 48 N 1.28 1.04 0.00 2.92 0.00 -0.88 -2.36 119.26 121.25 3dhe h ALA 48 Ca 0.32 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3dhe h ALA 48 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dhe h ALA 48 CO -0.05 0.68 -0.40 0.00 0.00 0.00 0.00 179.25 179.48 3dhe h ALA 49 N 1.38 1.17 0.18 0.00 0.00 -0.08 -2.72 119.26 119.19 3dhe h ALA 49 Ca -0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 54.24 3dhe h ALA 49 Cb 0.98 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.73 3dhe h ALA 49 CO 0.08 0.50 -1.35 0.00 0.00 0.00 0.00 179.25 178.48 3dhe h ARG 50 N 0.00 0.37 -0.85 0.00 2.47 -1.08 -0.57 114.38 114.73 3dhe h ARG 50 Ca -0.00 -0.64 0.06 0.00 -1.26 0.00 0.00 59.98 58.14 3dhe h ARG 50 Cb 0.79 0.24 -0.05 0.00 -1.65 0.00 0.00 29.97 29.30 3dhe h ARG 50 CO 0.05 1.30 0.56 0.00 0.56 0.00 0.00 179.97 182.44 3dhe h ALA 51 N 0.42 1.56 -0.70 0.04 0.00 -1.19 -0.46 119.26 118.92 3dhe h ALA 51 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3dhe h ALA 51 Cb 2.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3dhe h ALA 51 CO 0.23 0.31 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3dhe n LEU 52 N -4.48 3.96 -3.64 0.00 4.32 -1.05 -4.99 117.00 111.12 3dhe n LEU 52 Ca 0.13 -1.98 -0.21 0.00 -0.02 0.00 0.00 56.01 53.92 3dhe n LEU 52 Cb 0.20 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 3dhe n LEU 52 CO 0.33 0.92 -0.14 0.00 -1.22 0.00 0.00 177.39 177.28 3dhe n ALA 53 N 1.50 -2.73 -2.68 -1.18 0.00 -0.18 -4.88 120.51 110.35 3dhe n ALA 53 Ca 0.24 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 3dhe n ALA 53 Cb 0.65 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 3dhe n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dhe n PRO 55 N 3.78 0.95 -1.95 0.00 -0.02 -1.26 -4.89 135.00 131.61 3dhe n PRO 55 Ca 0.04 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 3dhe n PRO 55 Cb 0.51 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3dhe n PRO 55 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3dhe s PRO 56 N -3.09 4.23 0.00 0.52 0.02 -1.26 -2.86 135.00 132.55 3dhe s PRO 56 Ca 0.79 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.15 3dhe s PRO 56 Cb -0.39 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 30.97 3dhe s PRO 56 CO 0.44 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 3dhe n GLY 57 N 3.57 0.75 0.16 0.52 0.00 -1.26 -4.92 105.19 104.00 3dhe n GLY 57 Ca 0.13 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3dhe n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dhe n SER 58 N 0.34 1.03 -3.70 1.61 3.41 -1.14 -4.87 113.62 110.30 3dhe n SER 58 Ca 0.00 -1.01 -0.18 0.00 -0.26 0.00 0.00 58.87 57.42 3dhe n SER 58 Cb 0.00 0.73 -0.17 0.00 -0.26 0.00 0.00 64.21 64.51 3dhe n SER 58 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dhe s LEU 59 N -2.21 0.38 0.03 1.04 2.96 -1.26 -0.67 118.68 118.95 3dhe s LEU 59 Ca 0.08 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 3dhe s LEU 59 Cb 0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.73 3dhe s LEU 59 CO 0.43 -0.21 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.49 3dhe s GLU 60 N 1.86 0.96 -0.09 1.98 0.41 -0.07 -5.01 118.70 118.74 3dhe s GLU 60 Ca 0.00 -0.72 -0.01 0.00 -0.41 0.00 0.00 54.97 53.84 3dhe s GLU 60 Cb -0.12 -0.96 -0.03 0.00 -1.78 0.00 0.00 34.13 31.24 3dhe s GLU 60 CO -0.04 0.24 -0.05 0.95 -0.49 0.00 0.00 175.26 175.87 3dhe s THR 61 N -0.77 3.83 0.03 3.63 -4.23 -1.26 -0.59 115.64 116.29 3dhe s THR 61 Ca 0.02 -0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 3dhe s THR 61 Cb -0.07 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3dhe s THR 61 CO 0.01 0.58 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.75 3dhe s LEU 62 N -0.57 2.14 -0.16 4.79 1.43 -0.15 -4.96 118.68 121.20 3dhe s LEU 62 Ca 0.09 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 3dhe s LEU 62 Cb -0.12 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 3dhe s LEU 62 CO 0.02 0.08 0.68 -1.58 0.23 0.00 0.00 176.35 175.79 3dhe s GLN 63 N -1.00 4.29 -0.15 1.70 -0.44 -1.26 -1.37 119.66 121.43 3dhe s GLN 63 Ca 0.03 0.76 -0.05 0.00 -2.50 0.00 0.00 55.36 53.60 3dhe s GLN 63 Cb -0.08 -3.54 0.07 0.00 -1.64 0.00 0.00 33.01 27.82 3dhe s GLN 63 CO 0.01 -0.17 0.30 -1.17 0.50 0.00 0.00 175.29 174.76 3dhe s LEU 64 N 1.66 -0.38 -0.47 3.68 2.96 0.40 -4.84 118.68 121.68 3dhe s LEU 64 Ca 0.33 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 54.79 3dhe s LEU 64 Cb -0.16 0.86 0.08 0.00 0.50 0.00 0.00 46.19 47.48 3dhe s LEU 64 CO 0.12 -0.24 0.38 -0.62 -1.32 0.00 0.00 176.35 174.67 3dhe s ASP 65 N 2.45 6.02 0.00 3.68 2.15 -1.26 -3.72 116.67 125.98 3dhe s ASP 65 Ca 0.00 -1.46 0.09 0.00 0.43 0.00 0.00 52.55 51.61 3dhe s ASP 65 Cb -0.12 -2.13 0.43 0.00 -0.30 0.00 0.00 42.92 40.80 3dhe s ASP 65 CO -0.10 -0.65 1.16 1.33 -0.17 0.00 0.00 175.17 176.74 3dhe n VAL 66 N 5.13 0.86 1.51 1.11 0.24 -1.26 -0.73 118.33 125.19 3dhe n VAL 66 Ca -0.12 0.22 0.14 0.00 -2.04 0.00 0.00 64.34 62.54 3dhe n VAL 66 Cb 0.43 -1.07 0.59 0.00 -1.47 0.00 0.00 33.84 32.32 3dhe n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3dhe n ARG 67 N -1.30 1.15 -3.97 7.34 1.74 -1.26 -4.29 116.66 116.07 3dhe n ARG 67 Ca 0.04 -0.53 -0.21 0.00 -0.77 0.00 0.00 57.85 56.38 3dhe n ARG 67 Cb 0.07 -1.49 -0.17 0.00 -1.02 0.00 0.00 32.46 29.85 3dhe n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3dhe s ASP 68 N -2.22 1.23 0.44 0.55 2.15 0.09 -5.03 116.67 113.89 3dhe s ASP 68 Ca 0.35 -0.11 0.25 0.00 0.43 0.00 0.00 52.55 53.46 3dhe s ASP 68 Cb 0.21 -0.45 0.68 0.00 -0.30 0.00 0.00 42.92 43.06 3dhe s ASP 68 CO 0.41 -0.12 1.72 0.77 -0.17 0.00 0.00 175.17 177.79 3dhe h SER 69 N 7.71 0.00 0.72 -0.34 4.64 -1.85 -2.68 113.55 121.75 3dhe h SER 69 Ca -0.30 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.86 3dhe h SER 69 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3dhe h SER 69 CO 0.38 0.14 -0.73 0.11 -0.87 0.00 0.00 176.83 175.86 3dhe h LYS 70 N 0.00 0.01 0.00 4.77 1.57 -1.96 -1.96 116.57 119.00 3dhe h LYS 70 Ca -0.00 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3dhe h LYS 70 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3dhe h LYS 70 CO 0.02 0.73 -0.74 1.03 -0.57 0.00 0.00 179.45 179.92 3dhe h SER 71 N 0.00 0.00 -0.20 0.86 0.87 -1.81 -1.77 113.55 111.50 3dhe h SER 71 Ca -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 3dhe h SER 71 Cb 1.29 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3dhe h SER 71 CO 0.10 0.74 -0.56 0.58 -0.53 0.00 0.00 176.83 177.16 3dhe h VAL 72 N 0.00 1.29 -0.13 2.23 2.07 -1.34 -2.44 116.25 117.91 3dhe h VAL 72 Ca -0.01 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 65.64 3dhe h VAL 72 Cb 1.57 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3dhe h VAL 72 CO 0.10 0.57 -0.35 0.00 0.02 0.00 0.00 177.57 177.90 3dhe h ALA 73 N 0.75 0.22 -0.58 1.67 0.00 -1.34 -2.54 119.26 117.44 3dhe h ALA 73 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3dhe h ALA 73 Cb 1.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3dhe h ALA 73 CO 0.12 0.29 0.39 0.00 0.00 0.00 0.00 179.25 180.04 3dhe h ALA 74 N 0.53 1.58 0.31 0.00 0.00 -1.34 -2.81 119.26 117.53 3dhe h ALA 74 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3dhe h ALA 74 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dhe h ALA 74 CO 0.08 0.39 -0.15 0.00 0.00 0.00 0.00 179.25 179.56 3dhe h ALA 75 N 1.63 -0.42 -1.36 0.00 0.00 -1.41 -2.90 119.26 114.81 3dhe h ALA 75 Ca 0.21 -0.19 0.40 0.00 0.00 0.00 0.00 54.91 55.33 3dhe h ALA 75 Cb -0.09 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3dhe h ALA 75 CO -0.05 -0.54 0.94 -0.09 0.00 0.00 0.00 179.25 179.51 3dhe h ARG 76 N -0.80 0.08 0.00 0.00 2.43 -1.21 1.06 114.38 115.94 3dhe h ARG 76 Ca -0.04 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3dhe h ARG 76 Cb 0.51 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3dhe h ARG 76 CO 0.07 0.05 -0.43 0.93 -1.51 0.00 0.00 179.97 179.08 3dhe h GLU 77 N 0.09 0.00 0.00 0.20 5.08 -1.40 -3.11 114.58 115.43 3dhe h GLU 77 Ca 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 3dhe h GLU 77 Cb 2.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.77 3dhe h GLU 77 CO -0.14 0.27 0.00 0.54 -1.00 0.00 0.00 179.01 178.68 3dhe n ARG 78 N -3.12 0.44 -2.58 2.33 3.00 0.37 -4.44 116.66 112.66 3dhe n ARG 78 Ca 0.02 0.05 -0.43 0.00 -0.01 0.00 0.00 57.85 57.48 3dhe n ARG 78 Cb 0.66 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.61 3dhe n ARG 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3dhe s VAL 79 N -2.41 4.08 0.25 1.55 1.01 -1.14 -4.87 120.40 118.86 3dhe s VAL 79 Ca 0.25 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.49 3dhe s VAL 79 Cb 0.16 -5.16 0.37 0.00 0.00 0.00 0.00 36.38 31.74 3dhe s VAL 79 CO 0.33 -2.00 1.47 0.41 0.00 0.00 0.00 175.10 175.31 3dhe n THR 80 N 6.50 -0.43 0.30 3.92 -1.04 -1.26 0.68 114.28 122.96 3dhe n THR 80 Ca 0.45 2.18 0.14 0.00 -2.04 0.00 0.00 64.05 64.78 3dhe n THR 80 Cb 0.47 -2.98 0.73 0.00 -1.82 0.00 0.00 70.33 66.73 3dhe n THR 80 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3dhe h GLU 81 N 0.00 0.00 -0.73 -2.82 3.07 -1.96 -3.44 114.58 108.69 3dhe h GLU 81 Ca 0.42 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.03 3dhe h GLU 81 Cb 0.65 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.48 3dhe h GLU 81 CO -0.96 0.00 -0.23 0.41 -1.40 0.00 0.00 179.01 176.82 3dhe n GLY 82 N -1.23 1.08 3.50 -3.84 0.00 0.21 -4.95 105.19 99.96 3dhe n GLY 82 Ca -0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 3dhe n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dhe s ARG 83 N -3.24 1.02 -0.12 1.61 3.52 -1.26 -5.14 118.95 115.34 3dhe s ARG 83 Ca 0.00 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 3dhe s ARG 83 Cb 0.00 0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 3dhe s ARG 83 CO 0.00 -0.31 -0.11 0.08 -0.81 0.00 0.00 175.30 174.15 3dhe s VAL 84 N -1.13 1.27 -0.14 7.11 1.01 -1.26 -4.80 120.40 122.46 3dhe s VAL 84 Ca -0.11 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3dhe s VAL 84 Cb -0.01 -1.22 -0.23 0.00 0.00 0.00 0.00 36.38 34.92 3dhe s VAL 84 CO 0.09 0.41 0.29 0.47 0.00 0.00 0.00 175.10 176.36 3dhe n ASP 85 N 4.69 1.17 -3.81 3.32 8.00 0.41 -4.87 116.55 125.46 3dhe n ASP 85 Ca -0.16 0.17 -0.26 0.00 0.71 0.00 0.00 54.79 55.25 3dhe n ASP 85 Cb 0.50 -0.07 -0.17 0.00 -0.02 0.00 0.00 41.12 41.37 3dhe n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dhe s VAL 86 N -2.55 0.71 -0.23 2.53 1.01 -0.90 -1.51 120.40 119.46 3dhe s VAL 86 Ca -0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3dhe s VAL 86 Cb 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3dhe s VAL 86 CO 0.77 0.11 0.09 -0.22 0.00 0.00 0.00 175.10 175.86 3dhe s LEU 87 N 1.81 3.74 -0.25 3.92 2.96 0.22 -1.29 118.68 129.78 3dhe s LEU 87 Ca 0.02 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3dhe s LEU 87 Cb -0.14 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3dhe s LEU 87 CO -0.07 0.06 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.28 3dhe s VAL 88 N 1.09 2.99 -0.63 1.68 1.01 -0.50 0.60 120.40 126.65 3dhe s VAL 88 Ca 0.05 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 3dhe s VAL 88 Cb -0.14 -2.52 0.13 0.00 0.00 0.00 0.00 36.38 33.84 3dhe s VAL 88 CO 0.04 0.19 0.68 0.00 0.00 0.00 0.00 175.10 176.01 3dhe n ASN 90 N 5.78 3.63 -4.64 0.00 5.15 -1.25 -2.16 115.26 121.76 3dhe n ASN 90 Ca -0.06 0.00 -0.56 0.00 -0.60 0.00 0.00 54.58 53.36 3dhe n ASN 90 Cb 0.43 0.93 -0.07 0.00 -0.53 0.00 0.00 39.78 40.54 3dhe n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dhe n ALA 91 N -1.97 -0.93 -2.53 5.20 0.00 -1.13 -4.85 120.51 114.29 3dhe n ALA 91 Ca -0.05 0.47 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 3dhe n ALA 91 Cb 0.44 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 3dhe n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dhe s GLY 92 N 1.85 0.65 -0.06 0.00 0.00 -1.26 -4.69 107.32 103.81 3dhe s GLY 92 Ca 0.92 -1.08 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 3dhe s GLY 92 CO 0.58 -1.01 0.19 -2.27 0.00 0.00 0.00 173.10 170.59 3dhe s LEU 93 N -2.99 1.30 0.36 0.66 2.96 -1.26 -4.99 118.68 114.72 3dhe s LEU 93 Ca 0.19 0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 3dhe s LEU 93 Cb 0.05 0.69 -0.04 0.00 0.50 0.00 0.00 46.19 47.39 3dhe s LEU 93 CO 0.01 -0.14 0.23 -0.83 -1.32 0.00 0.00 176.35 174.29 3dhe s GLY 94 N -0.25 1.98 -0.29 7.98 0.00 -1.26 -4.95 107.32 110.54 3dhe s GLY 94 Ca -0.03 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.75 3dhe s GLY 94 CO 0.01 -1.72 0.65 -2.27 0.00 0.00 0.00 173.10 169.77 3dhe s LEU 95 N -3.94 -1.07 0.04 0.66 2.96 -1.26 -5.01 118.68 111.05 3dhe s LEU 95 Ca 0.41 1.54 0.07 0.00 -0.22 0.00 0.00 54.13 55.92 3dhe s LEU 95 Cb -0.03 2.28 -0.02 0.00 0.50 0.00 0.00 46.19 48.92 3dhe s LEU 95 CO 0.25 -0.22 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.64 3dhe s LEU 96 N 2.59 2.15 0.00 -0.68 2.96 -1.26 -4.45 118.68 119.99 3dhe s LEU 96 Ca -0.07 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3dhe s LEU 96 Cb -0.10 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.68 3dhe s LEU 96 CO -0.19 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 3dhe n GLY 97 N 1.94 3.65 3.76 7.98 0.00 -0.89 -5.02 105.19 116.62 3dhe n GLY 97 Ca -0.17 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3dhe n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dhe s PRO 98 N -2.60 4.47 0.19 1.61 0.04 -1.26 -4.58 135.00 132.87 3dhe s PRO 98 Ca 0.00 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 3dhe s PRO 98 Cb 0.00 -3.10 0.08 0.00 0.04 0.00 0.00 34.50 31.51 3dhe s PRO 98 CO 0.00 -0.01 1.55 1.25 0.04 0.00 0.00 177.00 179.83 3dhe h LEU 99 N 3.54 -1.81 -2.47 -3.56 6.46 -1.97 0.04 115.31 115.54 3dhe h LEU 99 Ca -0.48 0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3dhe h LEU 99 Cb 1.22 0.86 -0.00 0.00 -0.73 0.00 0.00 40.66 42.00 3dhe h LEU 99 CO 0.66 -0.26 0.14 1.05 -0.62 0.00 0.00 178.44 179.40 3dhe h GLU 100 N -0.01 0.00 -0.01 1.25 9.09 -1.92 -0.89 114.58 122.10 3dhe h GLU 100 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3dhe h GLU 100 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3dhe h GLU 100 CO -0.95 0.00 -0.27 0.00 0.05 0.00 0.00 179.01 177.84 3dhe n ALA 101 N -2.16 3.08 -2.24 1.06 0.00 -0.00 -4.89 120.51 115.36 3dhe n ALA 101 Ca -0.01 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 3dhe n ALA 101 Cb 0.22 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 3dhe n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dhe s LEU 102 N -2.59 4.51 0.84 0.00 2.01 -0.34 -4.99 118.68 118.12 3dhe s LEU 102 Ca 0.23 1.54 -0.11 0.00 0.01 0.00 0.00 54.13 55.79 3dhe s LEU 102 Cb 0.19 -3.27 0.10 0.00 0.01 0.00 0.00 46.19 43.22 3dhe s LEU 102 CO 0.54 0.08 1.10 -0.83 1.01 0.00 0.00 176.35 178.25 3dhe s GLY 103 N -0.46 1.65 0.07 -3.19 0.00 -1.26 -4.94 107.32 99.20 3dhe s GLY 103 Ca 0.38 0.19 -0.13 0.00 0.00 0.00 0.00 44.72 45.16 3dhe s GLY 103 CO 0.24 0.60 1.18 -2.09 0.00 0.00 0.00 173.10 173.04 3dhe h GLU 104 N -1.41 0.66 -0.47 2.90 4.81 -1.98 -2.95 114.58 116.14 3dhe h GLU 104 Ca -0.46 -0.75 -0.08 0.00 -0.13 0.00 0.00 59.36 57.94 3dhe h GLU 104 Cb 1.26 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.84 3dhe h GLU 104 CO 0.51 1.32 -0.04 -0.44 -0.73 0.00 0.00 179.01 179.63 3dhe h ASP 105 N 0.36 0.78 -0.43 1.04 3.32 -1.98 -1.42 116.42 118.09 3dhe h ASP 105 Ca -0.14 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 3dhe h ASP 105 Cb 1.74 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 3dhe h ASP 105 CO 0.21 0.87 0.16 0.00 -1.72 0.00 0.00 179.24 178.76 3dhe h ALA 106 N 1.21 0.55 -0.57 3.45 0.00 -1.94 0.17 119.26 122.13 3dhe h ALA 106 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dhe h ALA 106 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3dhe h ALA 106 CO 0.03 0.17 0.24 0.28 0.00 0.00 0.00 179.25 179.97 3dhe h VAL 107 N 0.54 1.22 -0.40 0.00 2.07 -1.32 -1.61 116.25 116.77 3dhe h VAL 107 Ca 0.14 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3dhe h VAL 107 Cb 0.22 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3dhe h VAL 107 CO -0.01 0.26 -0.08 0.00 0.02 0.00 0.00 177.57 177.76 3dhe h ALA 108 N 1.08 1.12 -0.23 1.67 0.00 -1.02 -2.90 119.26 118.98 3dhe h ALA 108 Ca 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3dhe h ALA 108 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dhe h ALA 108 CO -0.02 0.55 0.05 0.77 0.00 0.00 0.00 179.25 180.60 3dhe h SER 109 N 0.63 0.35 -0.74 0.00 0.02 -0.27 -0.58 113.55 112.95 3dhe h SER 109 Ca 0.11 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3dhe h SER 109 Cb 0.51 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3dhe h SER 109 CO 0.03 0.50 0.49 0.58 -1.14 0.00 0.00 176.83 177.30 3dhe h VAL 110 N 0.18 1.14 0.12 2.27 2.07 -1.18 -0.62 116.25 120.23 3dhe h VAL 110 Ca 0.07 -0.33 -0.27 0.00 0.82 0.00 0.00 66.70 66.99 3dhe h VAL 110 Cb 0.30 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3dhe h VAL 110 CO 0.00 0.17 -1.26 -0.07 0.02 0.00 0.00 177.57 176.44 3dhe h LEU 111 N 0.95 0.40 -0.46 2.57 3.38 -1.41 -0.92 115.31 119.81 3dhe h LEU 111 Ca 0.29 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3dhe h LEU 111 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3dhe h LEU 111 CO -0.08 1.34 0.04 -0.78 0.09 0.00 0.00 178.44 179.06 3dhe h ASP 112 N 0.07 0.76 0.00 -0.43 3.58 -0.77 0.79 116.42 120.41 3dhe h ASP 112 Ca -0.14 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 3dhe h ASP 112 Cb 1.97 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.81 3dhe h ASP 112 CO 0.20 0.85 -0.04 0.58 -2.88 0.00 0.00 179.24 177.95 3dhe h VAL 113 N 0.64 1.68 -0.21 2.25 2.07 -1.19 0.38 116.25 121.87 3dhe h VAL 113 Ca 0.14 -2.05 -0.19 0.00 0.82 0.00 0.00 66.70 65.41 3dhe h VAL 113 Cb 0.43 3.07 0.01 0.00 -1.52 0.00 0.00 31.29 33.28 3dhe h VAL 113 CO 0.01 0.54 -0.62 0.78 0.02 0.00 0.00 177.57 178.30 3dhe h ASN 114 N -0.83 0.91 0.00 0.57 4.21 -1.24 -3.23 115.58 115.97 3dhe h ASN 114 Ca -0.01 -0.58 -0.14 0.00 1.21 0.00 0.00 56.30 56.78 3dhe h ASN 114 Cb 0.90 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.81 3dhe h ASN 114 CO 0.01 1.33 -1.33 0.52 -1.29 0.00 0.00 177.43 176.67 3dhe n VAL 115 N -4.03 1.36 0.09 2.81 0.31 0.17 -4.22 118.33 114.82 3dhe n VAL 115 Ca -0.06 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.27 3dhe n VAL 115 Cb 0.66 -2.05 0.26 0.00 -0.91 0.00 0.00 33.84 31.81 3dhe n VAL 115 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dhe h VAL 116 N -0.80 1.27 -0.17 2.52 2.07 -1.20 -2.61 116.25 117.33 3dhe h VAL 116 Ca -0.21 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.06 3dhe h VAL 116 Cb 1.05 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3dhe h VAL 116 CO -0.13 0.39 0.02 1.23 0.02 0.00 0.00 177.57 179.10 3dhe h GLY 117 N 1.06 0.17 2.00 2.17 0.00 -0.25 -0.06 103.07 108.17 3dhe h GLY 117 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3dhe h GLY 117 CO 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3dhe h THR 118 N 0.08 0.00 -0.06 4.70 1.03 -1.66 -2.44 112.91 114.56 3dhe h THR 118 Ca 0.08 -0.48 -0.13 0.00 -0.01 0.00 0.00 66.41 65.87 3dhe h THR 118 Cb 0.08 1.39 0.01 0.00 -1.07 0.00 0.00 68.15 68.56 3dhe h THR 118 CO -0.11 0.00 -0.46 0.58 -0.01 0.00 0.00 175.52 175.52 3dhe h VAL 119 N 0.00 1.41 -0.82 0.00 2.07 -0.96 -1.70 116.25 116.25 3dhe h VAL 119 Ca 0.00 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.68 3dhe h VAL 119 Cb 0.55 2.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 3dhe h VAL 119 CO 0.00 0.55 0.54 0.03 0.02 0.00 0.00 177.57 178.71 3dhe h ARG 120 N -0.07 0.96 -0.09 1.57 3.08 -0.71 0.50 114.38 119.64 3dhe h ARG 120 Ca -0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3dhe h ARG 120 Cb 1.13 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3dhe h ARG 120 CO 0.09 0.64 -0.02 0.52 -1.07 0.00 0.00 179.97 180.13 3dhe h MET 121 N 0.99 0.17 -0.51 0.04 2.86 -1.41 -2.49 114.93 114.57 3dhe h MET 121 Ca 0.33 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 3dhe h MET 121 Cb 0.08 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3dhe h MET 121 CO -0.10 0.48 0.34 -0.07 1.06 0.00 0.00 176.91 178.62 3dhe h LEU 122 N -0.16 0.51 -0.22 1.22 3.38 -0.70 -2.24 115.31 117.11 3dhe h LEU 122 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3dhe h LEU 122 Cb 0.42 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dhe h LEU 122 CO 0.01 0.36 -0.26 1.56 0.09 0.00 0.00 178.44 180.19 3dhe h GLN 123 N 0.60 0.57 0.00 1.13 4.20 -0.77 0.02 115.11 120.86 3dhe h GLN 123 Ca 0.20 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 3dhe h GLN 123 Cb 0.08 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3dhe h GLN 123 CO -0.05 0.91 -0.22 0.00 -0.67 0.00 0.00 178.83 178.80 3dhe h ALA 124 N 0.65 0.94 0.00 3.87 0.00 -1.12 -3.36 119.26 120.24 3dhe h ALA 124 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dhe h ALA 124 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3dhe h ALA 124 CO 0.06 0.28 -0.72 1.19 0.00 0.00 0.00 179.25 180.07 3dhe n PHE 125 N -3.27 0.00 -0.03 0.00 3.72 -0.87 -4.77 117.46 112.24 3dhe n PHE 125 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 3dhe n PHE 125 Cb 0.50 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.90 3dhe n PHE 125 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3dhe h LEU 126 N 0.00 0.18 -0.56 4.37 6.46 -1.13 -3.19 115.31 121.45 3dhe h LEU 126 Ca 0.00 -0.45 0.10 0.00 -0.12 0.00 0.00 57.88 57.41 3dhe h LEU 126 Cb 0.16 -0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 39.93 3dhe h LEU 126 CO 0.00 0.59 -0.30 -0.65 -0.62 0.00 0.00 178.44 177.46 3dhe h PRO 127 N -0.22 -0.15 -1.00 5.25 0.11 -1.78 -1.17 132.00 133.04 3dhe h PRO 127 Ca 0.02 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.23 3dhe h PRO 127 Cb 0.53 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.60 3dhe h PRO 127 CO 0.01 -0.10 0.63 -0.44 -0.21 0.00 0.00 178.00 177.89 3dhe h ASP 128 N -0.16 0.96 0.50 -2.05 5.19 -1.88 0.26 116.42 119.25 3dhe h ASP 128 Ca 0.23 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 3dhe h ASP 128 Cb 0.54 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 3dhe h ASP 128 CO -0.65 0.55 -0.22 0.24 -3.12 0.00 0.00 179.24 176.05 3dhe h MET 129 N 1.06 0.00 0.09 3.56 2.86 -1.22 -1.92 114.93 119.35 3dhe h MET 129 Ca 0.47 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.82 3dhe h MET 129 Cb 0.36 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.05 3dhe h MET 129 CO -0.23 0.22 -1.16 0.87 1.06 0.00 0.00 176.91 177.67 3dhe h LYS 130 N 0.00 0.63 0.44 1.72 1.57 -0.28 -1.76 116.57 118.89 3dhe h LYS 130 Ca -0.00 -0.80 -0.01 0.00 -1.87 0.00 0.00 60.65 57.97 3dhe h LYS 130 Cb 0.53 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3dhe h LYS 130 CO 0.03 1.36 -0.30 0.00 -0.57 0.00 0.00 179.45 179.96 3dhe h ARG 131 N 0.27 -0.70 -0.76 3.15 -0.00 -0.94 -2.84 114.38 112.58 3dhe h ARG 131 Ca -0.17 0.05 0.07 0.00 -0.50 0.00 0.00 59.98 59.43 3dhe h ARG 131 Cb 1.84 0.16 -0.06 0.00 0.00 0.00 0.00 29.97 31.90 3dhe h ARG 131 CO 0.22 -0.47 0.43 0.00 0.00 0.00 0.00 179.97 180.16 3dhe h ARG 132 N -0.72 0.74 0.00 0.04 3.08 -1.43 -3.46 114.38 112.62 3dhe h ARG 132 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3dhe h ARG 132 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3dhe h ARG 132 CO 0.02 0.49 0.00 0.41 -1.07 0.00 0.00 179.97 179.82 3dhe n GLY 133 N -1.31 0.84 3.59 0.04 0.00 -0.69 -5.05 105.19 102.61 3dhe n GLY 133 Ca 0.11 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 3dhe n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dhe s SER 134 N -2.45 -0.64 0.00 1.61 1.04 -1.03 -4.47 113.70 107.76 3dhe s SER 134 Ca 0.00 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.47 3dhe s SER 134 Cb 0.00 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.10 3dhe s SER 134 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3dhe n GLY 135 N 1.87 2.16 2.89 7.32 0.00 -1.26 -4.65 105.19 113.53 3dhe n GLY 135 Ca -0.15 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 3dhe n GLY 135 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dhe s ARG 136 N -2.00 0.54 -0.11 1.61 6.06 -0.57 -1.14 118.95 123.34 3dhe s ARG 136 Ca 0.00 -0.07 0.02 0.00 -2.50 0.00 0.00 55.73 53.17 3dhe s ARG 136 Cb 0.00 -0.59 0.01 0.00 0.06 0.00 0.00 34.95 34.43 3dhe s ARG 136 CO 0.00 -0.04 -0.15 0.08 -2.50 0.00 0.00 175.30 172.69 3dhe s VAL 137 N 0.62 1.52 -0.12 7.11 1.01 0.06 -0.61 120.40 129.99 3dhe s VAL 137 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3dhe s VAL 137 Cb -0.11 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3dhe s VAL 137 CO -0.00 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.63 3dhe s LEU 138 N 0.99 2.62 -0.09 3.92 1.02 0.20 -1.47 118.68 125.87 3dhe s LEU 138 Ca -0.06 -0.35 0.04 0.00 0.02 0.00 0.00 54.13 53.77 3dhe s LEU 138 Cb -0.15 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.49 3dhe s LEU 138 CO -0.02 0.18 -0.21 -0.69 0.02 0.00 0.00 176.35 175.64 3dhe s VAL 139 N 0.23 1.82 -0.23 -1.59 1.01 0.12 0.99 120.40 122.75 3dhe s VAL 139 Ca -0.10 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3dhe s VAL 139 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3dhe s VAL 139 CO 0.06 0.51 0.73 0.42 0.00 0.00 0.00 175.10 176.81 3dhe s THR 140 N 0.41 4.93 0.00 3.92 -4.23 -0.92 -0.56 115.64 119.19 3dhe s THR 140 Ca -0.17 1.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3dhe s THR 140 Cb -0.17 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.64 3dhe s THR 140 CO 0.07 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 3dhe n GLY 141 N 3.85 3.50 3.56 3.99 0.00 0.11 -4.87 105.19 115.34 3dhe n GLY 141 Ca 0.02 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 3dhe n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dhe s SER 142 N -0.42 -0.36 0.25 1.61 0.15 -1.26 -3.46 113.70 110.22 3dhe s SER 142 Ca 0.00 -0.36 0.25 0.00 0.70 0.00 0.00 55.95 56.54 3dhe s SER 142 Cb 0.00 0.62 0.93 0.00 -1.71 0.00 0.00 66.02 65.86 3dhe s SER 142 CO 0.00 -1.09 1.74 1.33 1.20 0.00 0.00 173.24 176.42 3dhe n VAL 143 N -0.38 0.74 1.60 4.45 0.24 -0.77 -2.10 118.33 122.11 3dhe n VAL 143 Ca -0.11 0.04 0.06 0.00 -2.04 0.00 0.00 64.34 62.29 3dhe n VAL 143 Cb 0.62 -0.96 0.37 0.00 -1.47 0.00 0.00 33.84 32.40 3dhe n VAL 143 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dhe n GLY 144 N 0.47 -0.80 0.25 7.63 0.00 -1.26 -1.47 105.19 110.01 3dhe n GLY 144 Ca 0.03 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.00 3dhe n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhe n GLY 145 N 0.45 -0.10 0.00 -0.02 0.00 -0.89 -4.35 105.19 100.26 3dhe n GLY 145 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.96 3dhe n GLY 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dhe n LEU 146 N 0.26 0.09 -3.59 0.99 4.77 -0.54 -4.33 117.00 114.66 3dhe n LEU 146 Ca 0.04 -0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 3dhe n LEU 146 Cb 0.19 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3dhe n LEU 146 CO 0.04 0.02 0.51 0.00 -1.33 0.00 0.00 177.39 176.63 3dhe s MET 147 N -1.86 0.84 0.34 3.23 0.23 -0.90 -5.04 119.30 116.15 3dhe s MET 147 Ca -0.00 0.60 -0.27 0.00 -1.03 0.00 0.00 55.69 54.99 3dhe s MET 147 Cb 0.03 0.41 -0.09 0.00 -1.53 0.00 0.00 34.83 33.64 3dhe s MET 147 CO 0.17 -0.18 1.10 0.20 -2.03 0.00 0.00 175.02 174.28 3dhe s GLY 148 N -0.35 2.92 -0.08 3.16 0.00 -1.26 -4.40 107.32 107.31 3dhe s GLY 148 Ca -0.04 0.86 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3dhe s GLY 148 CO 0.03 1.39 -0.15 1.08 0.00 0.00 0.00 173.10 175.46 3dhe s LEU 149 N -2.05 1.72 0.37 0.66 1.43 -1.26 -5.10 118.68 114.45 3dhe s LEU 149 Ca 0.51 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.97 3dhe s LEU 149 Cb -0.29 -1.00 -0.12 0.00 0.03 0.00 0.00 46.19 44.82 3dhe s LEU 149 CO 0.37 0.04 1.14 -0.81 0.23 0.00 0.00 176.35 177.32 3dhe n PRO 150 N 3.91 1.69 -0.83 1.29 -0.04 -1.26 -1.35 135.00 138.42 3dhe n PRO 150 Ca -0.21 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3dhe n PRO 150 Cb 0.52 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3dhe n PRO 150 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dhe n PHE 151 N -0.04 0.00 -1.85 0.54 3.72 -1.26 -4.81 117.46 113.77 3dhe n PHE 151 Ca 0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.40 3dhe n PHE 151 Cb 0.37 -0.88 0.12 0.00 -0.94 0.00 0.00 39.48 38.14 3dhe n PHE 151 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3dhe n ASN 152 N -0.18 3.12 0.01 4.37 3.02 -0.45 -2.09 115.26 123.06 3dhe n ASN 152 Ca 0.00 -3.73 -0.11 0.00 -0.03 0.00 0.00 54.58 50.71 3dhe n ASN 152 Cb 0.09 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 3dhe n ASN 152 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3dhe h ASP 153 N 1.57 -0.96 0.34 6.41 3.32 -1.87 0.16 116.42 125.39 3dhe h ASP 153 Ca 0.15 0.14 -0.20 0.00 0.02 0.00 0.00 57.03 57.14 3dhe h ASP 153 Cb 1.27 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 41.23 3dhe h ASP 153 CO 0.35 -0.35 -0.84 0.58 -1.72 0.00 0.00 179.24 177.26 3dhe h VAL 154 N -0.40 1.40 -0.15 -1.35 2.07 -1.90 -1.28 116.25 114.65 3dhe h VAL 154 Ca 0.09 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 3dhe h VAL 154 Cb 0.54 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3dhe h VAL 154 CO -0.33 0.70 0.06 0.22 0.02 0.00 0.00 177.57 178.24 3dhe h TYR 155 N 0.23 0.23 -0.23 1.57 3.20 -1.74 -1.40 116.97 118.84 3dhe h TYR 155 Ca -0.05 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 3dhe h TYR 155 Cb 1.44 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 3dhe h TYR 155 CO 0.05 0.30 -0.13 0.00 -1.64 0.00 0.00 178.16 176.74 3dhe h ALA 157 N 1.50 0.08 -0.58 0.00 0.00 -0.85 0.31 119.26 119.73 3dhe h ALA 157 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dhe h ALA 157 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3dhe h ALA 157 CO 0.03 -0.40 0.10 0.66 0.00 0.00 0.00 179.25 179.64 3dhe h SER 158 N 0.05 0.88 0.75 0.00 4.64 -0.97 -0.52 113.55 118.38 3dhe h SER 158 Ca 0.02 -0.19 -0.20 0.00 -0.47 0.00 0.00 61.79 60.95 3dhe h SER 158 Cb 0.04 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3dhe h SER 158 CO -0.00 0.88 -0.93 0.11 -0.87 0.00 0.00 176.83 176.01 3dhe h LYS 159 N 0.88 0.11 -0.33 4.77 1.79 -1.19 -2.63 116.57 119.97 3dhe h LYS 159 Ca 0.18 -0.14 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 3dhe h LYS 159 Cb 0.38 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 3dhe h LYS 159 CO 0.01 0.96 -0.34 0.74 -1.08 0.00 0.00 179.45 179.74 3dhe h PHE 160 N 0.05 0.86 -0.91 -1.35 -1.00 -0.23 -2.88 116.94 111.48 3dhe h PHE 160 Ca -0.04 -0.23 0.01 0.00 2.81 0.00 0.00 57.97 60.52 3dhe h PHE 160 Cb 1.61 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 40.93 3dhe h PHE 160 CO 0.02 0.97 0.60 0.00 -1.61 0.00 0.00 178.31 178.29 3dhe h ALA 161 N 1.01 1.15 -0.25 2.45 0.00 -0.98 -2.18 119.26 120.46 3dhe h ALA 161 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dhe h ALA 161 Cb 0.87 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dhe h ALA 161 CO 0.08 0.54 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 3dhe h LEU 162 N 1.22 0.39 -0.60 0.00 3.38 -1.27 -0.14 115.31 118.29 3dhe h LEU 162 Ca 0.34 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 3dhe h LEU 162 Cb -0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3dhe h LEU 162 CO -0.08 0.54 0.08 -0.33 0.09 0.00 0.00 178.44 178.74 3dhe h GLU 163 N 0.39 1.00 -0.21 1.13 4.39 -1.22 -1.45 114.58 118.61 3dhe h GLU 163 Ca 0.08 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.36 3dhe h GLU 163 Cb 0.42 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3dhe h GLU 163 CO 0.02 0.95 -0.42 0.78 -1.16 0.00 0.00 179.01 179.18 3dhe h GLY 164 N 0.90 0.72 0.98 -3.84 0.00 -1.07 -0.45 103.07 100.32 3dhe h GLY 164 Ca 0.18 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 3dhe h GLY 164 CO 0.01 0.77 0.20 -2.00 0.00 0.00 0.00 176.54 175.52 3dhe h LEU 165 N 0.36 0.39 -0.18 3.11 5.85 -0.98 -2.16 115.31 121.70 3dhe h LEU 165 Ca 0.01 -0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.45 3dhe h LEU 165 Cb 1.03 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.97 3dhe h LEU 165 CO 0.09 0.33 -0.76 0.00 -0.34 0.00 0.00 178.44 177.76 3dhe h GLU 167 N 0.55 0.58 -0.11 0.00 4.81 -1.04 -1.32 114.58 118.04 3dhe h GLU 167 Ca -0.05 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3dhe h GLU 167 Cb 1.39 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3dhe h GLU 167 CO 0.16 0.47 -0.08 0.77 -0.73 0.00 0.00 179.01 179.60 3dhe h SER 168 N 0.59 0.27 -0.19 1.04 0.02 -1.28 -3.18 113.55 110.82 3dhe h SER 168 Ca 0.15 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3dhe h SER 168 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3dhe h SER 168 CO -0.02 0.66 0.09 -0.07 -1.14 0.00 0.00 176.83 176.35 3dhe h LEU 169 N -0.12 0.25 -1.01 5.07 3.38 -1.25 -2.91 115.31 118.71 3dhe h LEU 169 Ca 0.02 -0.13 0.26 0.00 0.09 0.00 0.00 57.88 58.12 3dhe h LEU 169 Cb 0.57 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.13 3dhe h LEU 169 CO 0.02 0.31 0.59 0.00 0.09 0.00 0.00 178.44 179.45 3dhe h ALA 170 N 0.95 1.82 -0.60 1.53 0.00 -1.29 0.26 119.26 121.92 3dhe h ALA 170 Ca 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dhe h ALA 170 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3dhe h ALA 170 CO -0.01 -0.32 0.32 0.28 0.00 0.00 0.00 179.25 179.52 3dhe h VAL 171 N 0.54 1.19 0.00 0.00 2.07 -1.49 -2.66 116.25 115.90 3dhe h VAL 171 Ca 0.66 -0.49 -0.18 0.00 0.82 0.00 0.00 66.70 67.51 3dhe h VAL 171 Cb 1.30 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3dhe h VAL 171 CO -0.50 0.21 -1.11 0.25 0.02 0.00 0.00 177.57 176.45 3dhe h LEU 172 N 0.84 0.00 0.00 2.57 5.85 -0.62 -3.37 115.31 120.58 3dhe h LEU 172 Ca 0.21 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 3dhe h LEU 172 Cb 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3dhe h LEU 172 CO -0.03 0.72 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.01 3dhe h LEU 173 N 0.00 0.00 -0.77 2.25 3.38 -0.91 -3.39 115.31 115.87 3dhe h LEU 173 Ca -0.10 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.04 3dhe h LEU 173 Cb 1.64 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.24 3dhe h LEU 173 CO 0.08 0.51 -0.10 -0.11 0.09 0.00 0.00 178.44 178.90 3dhe n LEU 174 N -3.15 -0.20 -0.53 1.67 7.94 -1.02 0.11 117.00 121.83 3dhe n LEU 174 Ca -0.00 1.32 0.11 0.00 -1.11 0.00 0.00 56.01 56.33 3dhe n LEU 174 Cb 0.75 -0.43 0.42 0.00 0.53 0.00 0.00 43.42 44.69 3dhe n LEU 174 CO 0.41 -1.29 0.80 -0.81 -1.11 0.00 0.00 177.39 175.39 3dhe n PRO 175 N -5.18 1.71 0.00 1.96 -0.04 -1.26 -3.91 135.00 128.28 3dhe n PRO 175 Ca 0.15 -1.06 0.11 0.00 -0.04 0.00 0.00 63.50 62.66 3dhe n PRO 175 Cb 0.47 -1.42 0.12 0.00 -0.04 0.00 0.00 33.50 32.63 3dhe n PRO 175 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dhe n PHE 176 N 0.28 0.00 0.00 0.54 3.01 0.31 -4.97 117.46 116.62 3dhe n PHE 176 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3dhe n PHE 176 Cb 0.34 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 3dhe n PHE 176 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dhe n GLY 177 N 1.49 2.46 3.72 1.37 0.00 -1.19 -4.22 105.19 108.82 3dhe n GLY 177 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3dhe n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhe s VAL 178 N -2.22 5.19 -0.04 1.61 0.11 -1.26 -4.04 120.40 119.76 3dhe s VAL 178 Ca 0.00 0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 59.94 3dhe s VAL 178 Cb 0.00 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 3dhe s VAL 178 CO 0.00 0.32 0.16 -1.00 -3.33 0.00 0.00 175.10 171.25 3dhe s HIS 179 N 0.66 3.53 -0.03 1.54 0.09 -0.29 -4.63 115.29 116.16 3dhe s HIS 179 Ca 0.25 0.39 0.04 0.00 -0.00 0.00 0.00 55.06 55.74 3dhe s HIS 179 Cb -0.15 -1.85 -0.01 0.00 -0.00 0.00 0.00 32.58 30.58 3dhe s HIS 179 CO 0.10 0.66 -0.17 -1.17 -0.00 0.00 0.00 174.74 174.16 3dhe s LEU 180 N -1.66 1.94 0.01 0.89 0.20 -1.26 -0.76 118.68 118.04 3dhe s LEU 180 Ca 0.23 -0.33 -0.03 0.00 0.69 0.00 0.00 54.13 54.69 3dhe s LEU 180 Cb -0.12 -0.92 -0.01 0.00 -0.43 0.00 0.00 46.19 44.70 3dhe s LEU 180 CO 0.14 0.16 0.04 -0.44 -0.29 0.00 0.00 176.35 175.96 3dhe s SER 181 N -0.07 0.13 -0.04 3.68 0.01 -0.54 -4.51 113.70 112.37 3dhe s SER 181 Ca -0.01 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.93 3dhe s SER 181 Cb -0.10 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 3dhe s SER 181 CO 0.01 -0.30 -0.08 -0.76 0.41 0.00 0.00 173.24 172.52 3dhe s LEU 182 N -1.31 3.10 -0.37 2.44 1.43 0.19 -0.70 118.68 123.45 3dhe s LEU 182 Ca -0.14 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3dhe s LEU 182 Cb -0.08 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.50 3dhe s LEU 182 CO 0.00 0.33 0.15 -0.63 0.23 0.00 0.00 176.35 176.43 3dhe s ILE 183 N -0.87 3.58 -0.62 -0.59 -1.09 0.28 -0.59 121.20 121.30 3dhe s ILE 183 Ca 0.14 -1.51 -0.23 0.00 -2.23 0.00 0.00 60.65 56.82 3dhe s ILE 183 Cb -0.11 -3.19 0.06 0.00 -1.58 0.00 0.00 42.46 37.64 3dhe s ILE 183 CO 0.03 -0.39 0.95 -1.61 -1.23 0.00 0.00 174.94 172.70 3dhe s GLU 184 N 1.30 3.18 0.16 2.79 0.41 0.21 0.08 118.70 126.84 3dhe s GLU 184 Ca 0.01 -0.64 -0.10 0.00 -0.41 0.00 0.00 54.97 53.84 3dhe s GLU 184 Cb -0.21 -4.17 -0.07 0.00 -1.78 0.00 0.00 34.13 27.91 3dhe s GLU 184 CO -0.00 -1.70 0.49 0.00 -0.49 0.00 0.00 175.26 173.56 3dhe n GLY 186 N 0.37 1.86 3.76 0.00 0.00 -1.26 -1.86 105.19 108.06 3dhe n GLY 186 Ca -0.03 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 3dhe n GLY 186 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dhe s PRO 187 N 3.44 3.12 -0.09 1.61 0.05 -1.26 -4.92 135.00 136.95 3dhe s PRO 187 Ca 0.00 1.79 -0.01 0.00 0.05 0.00 0.00 61.00 62.83 3dhe s PRO 187 Cb 0.00 -1.99 0.03 0.00 0.05 0.00 0.00 34.50 32.59 3dhe s PRO 187 CO 0.00 -1.08 -0.03 0.08 0.05 0.00 0.00 177.00 176.03 3dhe s VAL 188 N -1.62 0.63 -0.78 -0.36 1.01 -1.26 -3.06 120.40 114.96 3dhe s VAL 188 Ca 0.75 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 3dhe s VAL 188 Cb -0.29 -0.76 -0.27 0.00 0.00 0.00 0.00 36.38 35.06 3dhe s VAL 188 CO 0.32 0.27 1.86 1.41 0.00 0.00 0.00 175.10 178.96 3dhe n HIS 189 N 5.06 0.00 -3.96 5.22 8.25 -0.72 -4.81 115.22 124.26 3dhe n HIS 189 Ca -0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.06 3dhe n HIS 189 Cb 0.50 -0.48 -0.15 0.00 1.12 0.00 0.00 29.99 30.98 3dhe n HIS 189 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dhe s THR 190 N 0.00 1.85 0.28 1.59 2.01 -1.26 -4.82 115.64 115.29 3dhe s THR 190 Ca 1.03 -1.79 0.01 0.00 0.31 0.00 0.00 61.69 61.26 3dhe s THR 190 Cb -0.67 -2.23 0.27 0.00 0.01 0.00 0.00 72.50 69.88 3dhe s THR 190 CO 0.45 -0.38 1.79 0.00 -0.69 0.00 0.00 174.62 175.79 3dhe h ALA 191 N 7.80 1.45 0.00 7.40 0.00 -2.01 0.77 119.26 134.67 3dhe h ALA 191 Ca -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3dhe h ALA 191 Cb 1.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dhe h ALA 191 CO 0.47 0.02 -0.09 0.35 0.00 0.00 0.00 179.25 180.00 3dhe h PHE 192 N 0.77 0.00 0.28 0.00 3.57 -1.98 -2.94 116.94 116.64 3dhe h PHE 192 Ca 0.50 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 3dhe h PHE 192 Cb 0.67 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3dhe h PHE 192 CO -0.04 0.09 -0.16 1.98 -2.23 0.00 0.00 178.31 177.94 3dhe h MET 193 N 0.00 -0.41 0.00 1.11 4.05 -1.22 -1.91 114.93 116.55 3dhe h MET 193 Ca -0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3dhe h MET 193 Cb 0.21 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3dhe h MET 193 CO 0.01 -0.27 0.00 -0.85 0.23 0.00 0.00 176.91 176.03 3dhe n GLU 194 N -5.29 0.74 -0.04 0.39 0.28 -1.11 -2.60 120.64 113.01 3dhe n GLU 194 Ca -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.89 3dhe n GLU 194 Cb 0.20 -1.17 -0.10 0.00 1.43 0.00 0.00 31.44 31.81 3dhe n GLU 194 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dhe n LYS 195 N -0.67 1.48 -0.16 3.44 4.76 -0.84 -4.44 118.16 121.73 3dhe n LYS 195 Ca 0.06 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.34 3dhe n LYS 195 Cb 0.03 -1.31 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 3dhe n LYS 195 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dhe h VAL 196 N 0.00 1.27 -2.64 -0.18 2.07 -1.11 -3.40 116.25 112.27 3dhe h VAL 196 Ca -0.21 -1.39 -0.55 0.00 0.82 0.00 0.00 66.70 65.37 3dhe h VAL 196 Cb 1.34 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3dhe h VAL 196 CO 0.01 0.48 1.21 -1.48 0.02 0.00 0.00 177.57 177.81 3dhe s LEU 197 N -9.08 3.43 0.00 2.57 0.05 -1.22 -4.62 118.68 109.82 3dhe s LEU 197 Ca -0.11 0.66 0.00 0.00 0.05 0.00 0.00 54.13 54.72 3dhe s LEU 197 Cb 0.12 -3.12 0.00 0.00 -2.05 0.00 0.00 46.19 41.14 3dhe s LEU 197 CO 0.87 -1.84 0.00 0.61 -0.55 0.00 0.00 176.35 175.45 3dhe n GLY 198 N 5.39 -1.56 2.94 -3.48 0.00 -1.26 -4.98 105.19 102.24 3dhe n GLY 198 Ca 0.18 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 3dhe n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dhe s SER 199 N 0.00 4.80 0.00 1.61 0.01 -1.26 -5.05 113.70 113.81 3dhe s SER 199 Ca 0.00 -3.55 0.00 0.00 1.31 0.00 0.00 55.95 53.71 3dhe s SER 199 Cb 0.00 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.56 3dhe s SER 199 CO 0.00 -0.15 0.15 -0.81 0.41 0.00 0.00 173.24 172.84 3dhe n PRO 200 N 2.41 0.00 -0.02 12.44 -0.05 -1.26 -4.15 135.00 144.37 3dhe n PRO 200 Ca 0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.47 3dhe n PRO 200 Cb 0.34 -0.56 -0.09 0.00 -0.05 0.00 0.00 33.50 33.14 3dhe n PRO 200 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 3dhe h GLU 201 N 0.00 0.09 -1.00 0.54 9.09 -1.97 -1.98 114.58 119.35 3dhe h GLU 201 Ca 0.00 -0.05 0.19 0.00 0.05 0.00 0.00 59.36 59.55 3dhe h GLU 201 Cb 0.00 -0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.00 3dhe h GLU 201 CO 0.00 0.52 0.61 1.05 0.05 0.00 0.00 179.01 181.25 3dhe h GLU 202 N -0.34 0.73 0.03 1.06 9.09 -2.01 -0.59 114.58 122.54 3dhe h GLU 202 Ca 0.01 -0.04 -0.21 0.00 0.05 0.00 0.00 59.36 59.16 3dhe h GLU 202 Cb 0.50 -0.16 0.02 0.00 -1.65 0.00 0.00 28.75 27.46 3dhe h GLU 202 CO 0.01 0.48 -0.85 0.28 0.05 0.00 0.00 179.01 178.98 3dhe h VAL 203 N 0.75 1.36 0.00 -1.06 2.07 -1.71 -3.31 116.25 114.35 3dhe h VAL 203 Ca 0.57 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.88 3dhe h VAL 203 Cb 0.91 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3dhe h VAL 203 CO -0.37 0.66 0.06 0.25 0.02 0.00 0.00 177.57 178.20 3dhe h LEU 204 N 0.09 0.00 -0.54 2.57 5.85 -0.33 -1.59 115.31 121.37 3dhe h LEU 204 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3dhe h LEU 204 Cb 1.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3dhe h LEU 204 CO 0.17 0.00 -0.53 -0.67 -0.34 0.00 0.00 178.44 177.06 3dhe n ASP 205 N -3.04 1.37 -0.34 1.25 2.03 -0.84 -3.95 116.55 113.03 3dhe n ASP 205 Ca -0.03 -1.10 0.04 0.00 0.52 0.00 0.00 54.79 54.22 3dhe n ASP 205 Cb 0.13 0.47 0.06 0.00 -0.72 0.00 0.00 41.12 41.06 3dhe n ASP 205 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dhe n ARG 206 N -0.67 1.15 -4.14 -0.67 1.74 -0.62 -5.02 116.66 108.43 3dhe n ARG 206 Ca 0.08 -1.30 -0.11 0.00 -0.77 0.00 0.00 57.85 55.75 3dhe n ARG 206 Cb 0.39 -1.15 -0.08 0.00 -1.02 0.00 0.00 32.46 30.59 3dhe n ARG 206 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3dhe s THR 207 N -0.76 0.00 0.86 0.55 -1.32 -1.09 -4.27 115.64 109.60 3dhe s THR 207 Ca 0.11 -1.81 -0.13 0.00 -1.21 0.00 0.00 61.69 58.65 3dhe s THR 207 Cb 0.07 -2.41 0.12 0.00 -1.51 0.00 0.00 72.50 68.76 3dhe s THR 207 CO 0.10 0.00 1.22 1.51 -2.21 0.00 0.00 174.62 175.23 3dhe s ASP 208 N -3.12 4.07 0.50 8.08 -4.77 -1.26 -4.82 116.67 115.35 3dhe s ASP 208 Ca 0.34 0.64 0.31 0.00 -3.30 0.00 0.00 52.55 50.54 3dhe s ASP 208 Cb 0.04 -1.01 1.12 0.00 -1.09 0.00 0.00 42.92 41.98 3dhe s ASP 208 CO 0.12 -2.17 1.89 -0.29 0.70 0.00 0.00 175.17 175.42 3dhe h ILE 209 N -1.24 0.00 0.00 2.11 6.09 -1.99 -2.67 117.51 119.80 3dhe h ILE 209 Ca -0.46 -0.60 -0.20 0.00 -1.37 0.00 0.00 64.86 62.23 3dhe h ILE 209 Cb 1.30 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 40.14 3dhe h ILE 209 CO 0.58 0.00 -1.37 0.45 -3.07 0.00 0.00 178.15 174.74 3dhe h HIS 210 N 0.00 0.00 0.05 2.19 -0.00 -1.99 -2.56 115.15 112.84 3dhe h HIS 210 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.14 3dhe h HIS 210 Cb 0.61 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.04 3dhe h HIS 210 CO 0.00 0.75 -0.92 1.15 -0.00 0.00 0.00 177.93 178.91 3dhe h THR 211 N 0.00 1.36 -0.72 2.45 2.02 -1.94 -2.78 112.91 113.30 3dhe h THR 211 Ca -0.17 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 3dhe h THR 211 Cb 1.72 2.65 -0.03 0.00 -1.74 0.00 0.00 68.15 70.74 3dhe h THR 211 CO 0.07 0.68 0.41 0.15 0.37 0.00 0.00 175.52 177.20 3dhe h PHE 212 N 0.09 0.97 0.00 3.16 3.57 -1.58 0.44 116.94 123.59 3dhe h PHE 212 Ca -0.13 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 3dhe h PHE 212 Cb 1.62 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 3dhe h PHE 212 CO 0.13 0.67 -0.24 1.25 -2.23 0.00 0.00 178.31 177.90 3dhe h HIS 213 N 0.99 0.00 0.01 0.41 2.76 -1.48 -1.80 115.15 116.04 3dhe h HIS 213 Ca 0.26 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.22 3dhe h HIS 213 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 3dhe h HIS 213 CO -0.01 0.24 -0.99 0.00 -1.30 0.00 0.00 177.93 175.87 3dhe h ARG 214 N 0.00 0.04 -0.18 5.26 2.47 -1.00 -2.71 114.38 118.27 3dhe h ARG 214 Ca -0.00 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3dhe h ARG 214 Cb 0.47 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 3dhe h ARG 214 CO 0.03 0.99 0.07 0.35 0.56 0.00 0.00 179.97 181.97 3dhe h PHE 215 N 0.01 0.27 -0.75 3.04 3.57 -0.28 0.42 116.94 123.22 3dhe h PHE 215 Ca -0.02 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.53 3dhe h PHE 215 Cb 1.72 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.32 3dhe h PHE 215 CO 0.01 0.32 0.42 -0.92 -2.23 0.00 0.00 178.31 175.91 3dhe h TYR 216 N 0.13 0.77 -0.20 0.41 5.03 -1.35 0.20 116.97 121.96 3dhe h TYR 216 Ca 0.06 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 3dhe h TYR 216 Cb 0.16 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3dhe h TYR 216 CO -0.01 0.34 -0.20 1.96 -1.32 0.00 0.00 178.16 178.93 3dhe h GLN 217 N 0.75 0.35 0.01 1.82 4.20 -1.09 -0.62 115.11 120.53 3dhe h GLN 217 Ca 0.35 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3dhe h GLN 217 Cb 0.26 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3dhe h GLN 217 CO -0.21 0.54 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.56 3dhe h TYR 218 N 0.32 -0.02 -0.57 2.96 3.20 0.95 -2.13 116.97 121.68 3dhe h TYR 218 Ca 0.06 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.02 3dhe h TYR 218 Cb 0.53 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 3dhe h TYR 218 CO 0.01 0.53 0.15 -0.07 -1.64 0.00 0.00 178.16 177.14 3dhe h LEU 219 N -0.58 0.07 -0.32 2.82 3.38 -0.53 0.20 115.31 120.34 3dhe h LEU 219 Ca -0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dhe h LEU 219 Cb 0.56 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3dhe h LEU 219 CO 0.00 0.05 0.17 0.00 0.09 0.00 0.00 178.44 178.76 3dhe h ALA 220 N 1.43 0.40 -0.17 1.53 0.00 -1.11 -2.00 119.26 119.34 3dhe h ALA 220 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3dhe h ALA 220 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dhe h ALA 220 CO -0.35 -0.20 -0.51 1.25 0.00 0.00 0.00 179.25 179.44 3dhe h HIS 221 N 0.36 0.58 -0.43 0.00 -0.00 -0.65 -3.16 115.15 111.85 3dhe h HIS 221 Ca 0.13 -0.19 -0.10 0.00 -0.00 0.00 0.00 60.37 60.20 3dhe h HIS 221 Cb 0.03 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3dhe h HIS 221 CO -0.09 0.89 -0.14 0.66 -0.00 0.00 0.00 177.93 179.25 3dhe h SER 222 N 0.37 0.87 0.51 3.26 4.64 -0.44 -2.46 113.55 120.30 3dhe h SER 222 Ca 0.01 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3dhe h SER 222 Cb 1.03 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3dhe h SER 222 CO 0.09 1.05 -0.01 0.07 -0.87 0.00 0.00 176.83 177.16 3dhe h LYS 223 N 0.68 0.00 0.14 4.77 2.10 -1.39 0.18 116.57 123.05 3dhe h LYS 223 Ca 0.10 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.45 3dhe h LYS 223 Cb 0.69 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.05 3dhe h LYS 223 CO 0.05 0.01 -1.28 0.37 -2.00 0.00 0.00 179.45 176.60 3dhe h GLN 224 N 0.00 0.57 -0.26 0.07 5.75 -1.43 -2.60 115.11 117.21 3dhe h GLN 224 Ca -0.00 -0.80 -0.09 0.00 -0.15 0.00 0.00 58.65 57.60 3dhe h GLN 224 Cb 0.27 0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 3dhe h GLN 224 CO 0.00 1.37 -0.20 0.28 -2.65 0.00 0.00 178.83 177.62 3dhe h VAL 225 N 0.23 1.31 -0.22 2.39 2.07 -0.85 -2.51 116.25 118.67 3dhe h VAL 225 Ca -0.19 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.02 3dhe h VAL 225 Cb 1.96 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 3dhe h VAL 225 CO 0.24 0.42 -0.04 0.15 0.02 0.00 0.00 177.57 178.36 3dhe h PHE 226 N 0.31 -0.09 0.00 1.57 3.57 -0.75 0.11 116.94 121.67 3dhe h PHE 226 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dhe h PHE 226 Cb 0.75 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3dhe h PHE 226 CO 0.07 -0.08 0.00 0.07 -2.23 0.00 0.00 178.31 176.14 3dhe h ARG 227 N 0.02 0.00 -0.05 1.11 0.11 -1.43 -1.79 114.38 112.33 3dhe h ARG 227 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3dhe h ARG 227 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3dhe h ARG 227 CO -0.21 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 179.01 3dhe n GLU 228 N -2.95 0.70 0.00 0.08 0.28 -0.76 -4.74 120.64 113.25 3dhe n GLU 228 Ca 0.00 -1.20 0.00 0.00 -0.16 0.00 0.00 57.16 55.81 3dhe n GLU 228 Cb 0.25 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 31.93 3dhe n GLU 228 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dhe n ALA 229 N 0.50 0.00 -1.67 -1.84 0.00 -0.05 -5.05 120.51 112.40 3dhe n ALA 229 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.06 3dhe n ALA 229 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 3dhe n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dhe n ALA 230 N 0.00 0.98 -2.49 0.00 0.00 -0.68 -4.82 120.51 113.50 3dhe n ALA 230 Ca 0.00 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 3dhe n ALA 230 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 3dhe n ALA 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dhe s GLN 231 N -0.91 2.44 0.31 0.00 -0.21 -1.17 -4.69 119.66 115.43 3dhe s GLN 231 Ca 0.64 -1.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.22 3dhe s GLN 231 Cb -0.64 -2.23 -0.10 0.00 1.00 0.00 0.00 33.01 31.04 3dhe s GLN 231 CO 0.54 0.07 1.15 -0.80 -2.12 0.00 0.00 175.29 174.13 3dhe s ASN 232 N -3.90 7.05 0.60 5.90 0.01 -1.26 -1.75 114.94 121.60 3dhe s ASN 232 Ca 0.39 2.35 0.31 0.00 -0.71 0.00 0.00 52.86 55.21 3dhe s ASN 232 Cb -0.03 -2.63 1.87 0.00 0.41 0.00 0.00 41.25 40.87 3dhe s ASN 232 CO 0.24 -0.30 2.24 -0.65 -1.51 0.00 0.00 177.10 177.11 3dhe h PRO 233 N 3.52 0.00 0.00 -0.60 0.11 -1.95 0.71 132.00 133.78 3dhe h PRO 233 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3dhe h PRO 233 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3dhe h PRO 233 CO 0.66 0.00 -0.70 1.05 -0.21 0.00 0.00 178.00 178.80 3dhe h GLU 234 N 0.00 0.00 -0.18 1.05 9.09 -1.97 0.81 114.58 123.39 3dhe h GLU 234 Ca 0.01 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.23 3dhe h GLU 234 Cb 0.09 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.20 3dhe h GLU 234 CO -0.00 0.70 -0.65 1.49 0.05 0.00 0.00 179.01 180.60 3dhe h GLU 235 N 0.00 0.76 -0.06 1.06 4.81 -1.25 -2.56 114.58 117.33 3dhe h GLU 235 Ca -0.01 -0.57 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 3dhe h GLU 235 Cb 1.24 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3dhe h GLU 235 CO 0.09 1.19 -0.20 0.28 -0.73 0.00 0.00 179.01 179.64 3dhe h VAL 236 N 0.48 1.43 0.00 0.32 2.07 -1.25 -3.03 116.25 116.28 3dhe h VAL 236 Ca -0.03 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3dhe h VAL 236 Cb 1.27 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 3dhe h VAL 236 CO 0.14 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.16 3dhe h ALA 237 N 0.44 1.18 0.00 1.67 0.00 0.59 -0.15 119.26 123.00 3dhe h ALA 237 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dhe h ALA 237 Cb 0.83 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3dhe h ALA 237 CO 0.04 0.01 -0.20 1.49 0.00 0.00 0.00 179.25 180.60 3dhe h GLU 238 N 0.00 0.00 -0.25 0.00 4.57 -1.34 -3.14 114.58 114.42 3dhe h GLU 238 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 3dhe h GLU 238 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3dhe h GLU 238 CO 0.00 0.07 -0.46 0.28 -1.18 0.00 0.00 179.01 177.73 3dhe h VAL 239 N 0.00 1.30 -0.74 0.32 2.07 -0.97 -1.87 116.25 116.36 3dhe h VAL 239 Ca -0.00 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.89 3dhe h VAL 239 Cb 1.06 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3dhe h VAL 239 CO 0.01 0.53 0.49 -0.26 0.02 0.00 0.00 177.57 178.36 3dhe h PHE 240 N 0.52 0.87 -0.19 1.57 -1.00 -1.50 -0.42 116.94 116.78 3dhe h PHE 240 Ca 0.03 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.69 3dhe h PHE 240 Cb 1.00 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 3dhe h PHE 240 CO 0.05 0.51 -0.49 -0.07 -1.61 0.00 0.00 178.31 176.69 3dhe h LEU 241 N 0.90 0.57 -0.30 1.54 -0.00 -1.47 0.37 115.31 116.92 3dhe h LEU 241 Ca 0.30 -0.28 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 3dhe h LEU 241 Cb 0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 3dhe h LEU 241 CO -0.09 0.97 0.02 0.74 -0.00 0.00 0.00 178.44 180.08 3dhe h THR 242 N 0.41 1.25 -0.72 0.22 2.02 -0.48 -2.20 112.91 113.42 3dhe h THR 242 Ca 0.02 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 3dhe h THR 242 Cb 1.01 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3dhe h THR 242 CO 0.09 0.29 0.29 0.00 0.37 0.00 0.00 175.52 176.56 3dhe h ALA 243 N 0.85 0.93 0.00 6.16 0.00 -0.95 -2.23 119.26 124.03 3dhe h ALA 243 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3dhe h ALA 243 Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dhe h ALA 243 CO 0.01 0.55 -0.09 1.25 0.00 0.00 0.00 179.25 180.96 3dhe h LEU 244 N 1.02 0.00 -0.31 0.00 5.85 -0.72 -3.15 115.31 118.00 3dhe h LEU 244 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3dhe h LEU 244 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3dhe h LEU 244 CO -0.02 0.09 -0.57 0.54 -0.34 0.00 0.00 178.44 178.14 3dhe n ARG 245 N -3.90 1.95 -1.90 1.25 1.74 -0.84 -4.98 116.66 109.97 3dhe n ARG 245 Ca -0.02 -0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 3dhe n ARG 245 Cb 0.19 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 3dhe n ARG 245 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dhe s ALA 246 N -2.21 3.73 0.20 7.54 0.00 -0.87 -4.89 121.76 125.26 3dhe s ALA 246 Ca 0.08 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 3dhe s ALA 246 Cb 0.12 -3.61 0.13 0.00 0.00 0.00 0.00 23.12 19.76 3dhe s ALA 246 CO 0.53 -0.83 1.84 -1.00 0.00 0.00 0.00 175.76 176.30 3dhe h PRO 247 N 5.68 0.97 -3.06 0.00 0.13 -1.93 -3.33 132.00 130.47 3dhe h PRO 247 Ca -0.45 -0.09 -0.62 0.00 -0.87 0.00 0.00 66.00 63.97 3dhe h PRO 247 Cb 1.21 -0.20 -0.40 0.00 0.13 0.00 0.00 31.00 31.74 3dhe h PRO 247 CO 0.84 0.70 -0.70 0.15 -0.23 0.00 0.00 178.00 178.76 3dhe s LYS 248 N -5.95 1.66 0.63 0.86 1.02 -1.26 -5.12 119.74 111.58 3dhe s LYS 248 Ca -0.13 -2.43 -0.18 0.00 0.02 0.00 0.00 55.97 53.25 3dhe s LYS 248 Cb 0.14 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 3dhe s LYS 248 CO 0.79 -1.19 1.20 -1.25 -0.92 0.00 0.00 175.35 173.98 3dhe s PRO 249 N -0.18 2.79 0.74 -1.68 0.04 -1.25 -5.04 135.00 130.42 3dhe s PRO 249 Ca 0.20 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 3dhe s PRO 249 Cb -0.19 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.56 3dhe s PRO 249 CO -0.05 -1.34 1.03 0.95 0.04 0.00 0.00 177.00 177.64 3dhe s THR 250 N -1.72 2.19 -0.04 1.26 -4.23 -1.26 -4.99 115.64 106.84 3dhe s THR 250 Ca 0.76 -0.46 0.12 0.00 -1.18 0.00 0.00 61.69 60.93 3dhe s THR 250 Cb -0.29 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 3dhe s THR 250 CO 0.36 0.00 1.38 0.25 -0.54 0.00 0.00 174.62 176.07 3dhe h LEU 251 N -0.66 0.00 -8.00 4.79 5.85 -1.95 -3.42 115.31 111.92 3dhe h LEU 251 Ca -0.39 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 57.85 3dhe h LEU 251 Cb 1.27 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.98 3dhe h LEU 251 CO 0.44 0.71 -0.80 -0.60 -0.34 0.00 0.00 178.44 177.84 3dhe s ARG 252 N -2.86 1.29 -0.10 1.25 3.52 -1.26 -0.64 118.95 120.15 3dhe s ARG 252 Ca 0.03 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.29 3dhe s ARG 252 Cb 0.09 -1.15 0.01 0.00 -1.56 0.00 0.00 34.95 32.33 3dhe s ARG 252 CO 0.78 0.10 -0.20 0.71 -0.81 0.00 0.00 175.30 175.87 3dhe s TYR 253 N 0.35 2.29 -0.25 5.12 2.02 0.24 -4.94 117.35 122.19 3dhe s TYR 253 Ca -0.07 -0.97 -0.08 0.00 -0.37 0.00 0.00 57.07 55.58 3dhe s TYR 253 Cb -0.12 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3dhe s TYR 253 CO 0.02 -0.42 0.11 -0.06 -1.57 0.00 0.00 175.55 173.62 3dhe s PHE 254 N 0.52 3.15 0.19 2.71 0.40 -1.26 0.67 117.98 124.36 3dhe s PHE 254 Ca -0.16 -0.17 0.35 0.00 -0.60 0.00 0.00 56.93 56.36 3dhe s PHE 254 Cb -0.17 -2.25 1.53 0.00 0.51 0.00 0.00 43.02 42.64 3dhe s PHE 254 CO 0.06 -0.21 2.05 1.79 0.70 0.00 0.00 175.22 179.60 3dhe h THR 255 N 5.37 0.01 -3.34 0.64 1.35 -1.81 -3.44 112.91 111.68 3dhe h THR 255 Ca -0.37 -0.44 -0.12 0.00 -0.55 0.00 0.00 66.41 64.93 3dhe h THR 255 Cb 1.18 1.44 -0.19 0.00 -1.73 0.00 0.00 68.15 68.85 3dhe h THR 255 CO 0.59 0.00 -0.35 0.28 -0.25 0.00 0.00 175.52 175.79 3dhe s THR 256 N -3.74 0.08 -2.65 6.82 -1.32 -1.26 -4.99 115.64 108.58 3dhe s THR 256 Ca 0.00 -0.69 0.22 0.00 -1.21 0.00 0.00 61.69 60.02 3dhe s THR 256 Cb 0.10 -0.74 0.26 0.00 -1.51 0.00 0.00 72.50 70.61 3dhe s THR 256 CO 0.52 -0.38 1.27 -1.84 -2.21 0.00 0.00 174.62 171.98 3dhe n GLU 257 N 0.99 2.25 -0.13 7.08 0.00 -1.26 -4.56 120.64 125.00 3dhe n GLU 257 Ca -0.20 -1.99 -0.06 0.00 0.00 0.00 0.00 57.16 54.91 3dhe n GLU 257 Cb 0.57 -1.45 0.03 0.00 0.00 0.00 0.00 31.44 30.59 3dhe n GLU 257 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3dhe h ARG 258 N 4.37 0.39 -0.08 3.44 2.43 -1.99 -2.47 114.38 120.47 3dhe h ARG 258 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3dhe h ARG 258 Cb 0.95 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3dhe h ARG 258 CO 0.00 0.26 0.00 1.19 -1.51 0.00 0.00 179.97 179.91 3dhe n PHE 259 N -4.94 0.09 -0.13 2.20 3.72 -1.26 -4.05 117.46 113.10 3dhe n PHE 259 Ca 0.02 -0.05 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 3dhe n PHE 259 Cb 0.12 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.87 3dhe n PHE 259 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3dhe h LEU 260 N 1.52 0.76 -0.16 4.37 -0.00 -1.73 -2.63 115.31 117.45 3dhe h LEU 260 Ca 0.00 -0.12 0.03 0.00 -0.00 0.00 0.00 57.88 57.79 3dhe h LEU 260 Cb 0.33 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 3dhe h LEU 260 CO 0.00 0.72 -0.04 1.55 -0.00 0.00 0.00 178.44 180.67 3dhe h PRO 261 N 0.80 -0.01 -0.56 1.13 0.13 -1.75 -1.55 132.00 130.18 3dhe h PRO 261 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dhe h PRO 261 Cb 0.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 3dhe h PRO 261 CO -0.01 -0.01 0.35 -0.07 -0.23 0.00 0.00 178.00 178.04 3dhe h LEU 262 N -0.01 0.66 -0.84 1.56 3.38 -1.81 -2.21 115.31 116.04 3dhe h LEU 262 Ca 0.08 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3dhe h LEU 262 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dhe h LEU 262 CO -0.17 0.49 -0.25 0.25 0.09 0.00 0.00 178.44 178.86 3dhe h LEU 263 N 0.77 0.60 0.55 1.67 5.85 -1.07 -3.15 115.31 120.53 3dhe h LEU 263 Ca 0.20 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3dhe h LEU 263 Cb -0.06 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 3dhe h LEU 263 CO -0.04 0.83 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.46 3dhe h ARG 264 N 0.52 -0.82 0.00 1.25 9.65 -0.65 -2.29 114.38 122.04 3dhe h ARG 264 Ca 0.07 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3dhe h ARG 264 Cb 0.70 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 3dhe h ARG 264 CO 0.05 -0.54 0.00 0.00 2.80 0.00 0.00 179.97 182.28 3dhe h MET 265 N -0.85 0.00 0.00 0.20 -0.00 -1.58 0.35 114.93 113.04 3dhe h MET 265 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3dhe h MET 265 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 3dhe h MET 265 CO 0.07 0.00 -0.45 -0.09 -0.00 0.00 0.00 176.91 176.43 3dhe h ARG 266 N 0.00 0.00 0.00 -0.10 2.43 -1.38 -3.19 114.38 112.14 3dhe h ARG 266 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dhe h ARG 266 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3dhe h ARG 266 CO 0.00 0.00 -1.08 1.28 -1.51 0.00 0.00 179.97 178.66 3dhe n LEU 267 N -2.73 0.91 0.05 3.80 4.77 0.10 -4.24 117.00 119.67 3dhe n LEU 267 Ca 0.03 -0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 3dhe n LEU 267 Cb 0.52 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3dhe n LEU 267 CO 0.36 0.23 -0.07 0.44 -1.33 0.00 0.00 177.39 177.02 3dhe h ASP 268 N 0.00 0.09 -3.74 -1.43 5.19 -1.06 -3.41 116.42 112.06 3dhe h ASP 268 Ca 0.00 -0.11 -0.62 0.00 -0.62 0.00 0.00 57.03 55.68 3dhe h ASP 268 Cb 0.54 -0.03 -0.40 0.00 0.18 0.00 0.00 39.33 39.62 3dhe h ASP 268 CO 0.00 1.09 -0.71 -0.62 -3.12 0.00 0.00 179.24 175.88 3dhe s ASP 269 N -6.66 3.95 0.57 6.45 2.15 -1.21 -4.99 116.67 116.93 3dhe s ASP 269 Ca -0.02 -2.62 0.37 0.00 0.43 0.00 0.00 52.55 50.72 3dhe s ASP 269 Cb 0.09 -1.23 2.03 0.00 -0.30 0.00 0.00 42.92 43.51 3dhe s ASP 269 CO 0.83 -0.28 2.14 -0.65 -0.17 0.00 0.00 175.17 177.04 3dhe h PRO 270 N 6.84 0.00 0.00 4.34 0.11 -1.80 -1.14 132.00 140.35 3dhe h PRO 270 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3dhe h PRO 270 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3dhe h PRO 270 CO 0.54 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.99 3dhe h SER 271 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.47 113.55 110.73 3dhe h SER 271 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dhe h SER 271 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3dhe h SER 271 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3dhe n GLY 272 N 0.39 0.88 0.21 -0.77 0.00 -0.43 -4.94 105.19 100.53 3dhe n GLY 272 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3dhe n GLY 272 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dhe h SER 273 N 0.00 0.70 -0.41 1.61 4.64 -1.92 -2.40 113.55 115.77 3dhe h SER 273 Ca 0.00 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 3dhe h SER 273 Cb 0.00 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3dhe h SER 273 CO 0.00 1.15 0.18 0.78 -0.87 0.00 0.00 176.83 178.07 3dhe h ASN 274 N 0.46 0.55 -0.02 4.97 4.21 -1.90 -1.95 115.58 121.89 3dhe h ASN 274 Ca -0.01 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.36 3dhe h ASN 274 Cb 1.19 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 38.25 3dhe h ASN 274 CO 0.12 0.54 0.01 0.22 -1.29 0.00 0.00 177.43 177.03 3dhe h TYR 275 N 0.51 0.03 -0.93 1.19 3.20 -1.79 -0.56 116.97 118.63 3dhe h TYR 275 Ca 0.14 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.12 3dhe h TYR 275 Cb 0.15 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 3dhe h TYR 275 CO -0.01 0.20 0.59 0.28 -1.64 0.00 0.00 178.16 177.59 3dhe h VAL 276 N -0.15 0.91 0.02 1.81 2.07 -1.32 0.19 116.25 119.80 3dhe h VAL 276 Ca 0.01 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3dhe h VAL 276 Cb 0.18 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3dhe h VAL 276 CO -0.00 0.16 -0.25 0.71 0.02 0.00 0.00 177.57 178.21 3dhe h THR 277 N 0.87 1.61 -0.27 2.57 1.35 -1.26 -2.63 112.91 115.16 3dhe h THR 277 Ca 0.45 -2.12 0.06 0.00 -0.55 0.00 0.00 66.41 64.25 3dhe h THR 277 Cb 0.52 3.00 -0.06 0.00 -1.73 0.00 0.00 68.15 69.88 3dhe h THR 277 CO -0.21 0.57 -0.11 0.00 -0.25 0.00 0.00 175.52 175.52 3dhe h ALA 278 N 0.16 0.11 0.00 6.62 0.00 -0.63 -1.86 119.26 123.67 3dhe h ALA 278 Ca -0.04 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dhe h ALA 278 Cb 1.08 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3dhe h ALA 278 CO 0.05 -0.51 -0.31 1.98 0.00 0.00 0.00 179.25 180.45 3dhe h MET 279 N -0.07 0.00 -0.10 0.00 -1.53 -0.74 -2.79 114.93 109.70 3dhe h MET 279 Ca 0.14 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.30 3dhe h MET 279 Cb 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 3dhe h MET 279 CO -0.31 0.31 -0.40 1.25 0.14 0.00 0.00 176.91 177.90 3dhe h HIS 280 N 0.00 0.25 0.06 1.39 2.76 -0.95 -3.16 115.15 115.49 3dhe h HIS 280 Ca -0.00 -0.07 -0.27 0.00 -2.20 0.00 0.00 60.37 57.83 3dhe h HIS 280 Cb 0.55 -0.06 0.02 0.00 1.55 0.00 0.00 27.41 29.47 3dhe h HIS 280 CO 0.00 0.59 -1.11 0.00 -1.30 0.00 0.00 177.93 176.10 3dhe h ARG 281 N 0.18 0.55 -0.02 5.26 2.47 -1.18 -1.80 114.38 119.84 3dhe h ARG 281 Ca 0.02 -0.67 0.00 0.00 -1.26 0.00 0.00 59.98 58.07 3dhe h ARG 281 Cb 0.79 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3dhe h ARG 281 CO 0.06 1.28 0.00 -1.91 0.56 0.00 0.00 179.97 179.96 3dhe n GLU 282 N -3.77 0.92 0.00 0.04 2.13 -1.08 -2.88 120.64 116.00 3dhe n GLU 282 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3dhe n GLU 282 Cb 0.92 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 31.62 3dhe n GLU 282 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dhe n VAL 283 N -0.49 0.00 -0.93 6.31 0.31 -1.21 -5.04 118.33 117.29 3dhe n VAL 283 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3dhe n VAL 283 Cb 0.01 0.81 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 3dhe n VAL 283 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00