#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxf h VAL 5 N 0.00 1.00 -3.47 2.53 2.07 -2.02 -3.43 116.25 112.93 1dxf h VAL 5 Ca 0.00 -0.59 -0.67 0.00 0.82 0.00 0.00 66.70 66.25 1dxf h VAL 5 Cb 0.00 1.36 -0.16 0.00 -1.52 0.00 0.00 31.29 30.98 1dxf h VAL 5 CO 0.00 0.14 -0.66 -0.36 0.02 0.00 0.00 177.57 176.71 1dxf s PHE 6 N -5.00 3.01 0.75 1.57 0.08 -1.26 -4.09 117.98 113.05 1dxf s PHE 6 Ca -0.15 0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 1dxf s PHE 6 Cb 0.03 -1.67 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1dxf s PHE 6 CO 0.62 0.42 1.08 -2.14 -0.10 0.00 0.00 175.22 175.10 1dxf s PRO 7 N -1.33 2.45 -0.73 0.24 0.02 -1.26 -5.09 135.00 129.30 1dxf s PRO 7 Ca 0.17 0.97 -0.25 0.00 0.02 0.00 0.00 61.00 61.91 1dxf s PRO 7 Cb -0.11 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.52 1dxf s PRO 7 CO 0.07 -1.45 1.18 1.21 -0.33 0.00 0.00 177.00 177.69 1dxf s ASN 8 N -3.64 6.18 0.32 2.53 3.84 -1.26 -4.88 114.94 118.03 1dxf s ASN 8 Ca 0.60 -0.67 0.02 0.00 0.21 0.00 0.00 52.86 53.02 1dxf s ASN 8 Cb -0.15 -2.51 0.54 0.00 -0.55 0.00 0.00 41.25 38.57 1dxf s ASN 8 CO 0.55 -1.70 1.89 0.11 -2.79 0.00 0.00 177.10 175.17 1dxf h LYS 9 N 9.86 0.72 -0.76 0.43 1.57 -1.95 -1.80 116.57 124.64 1dxf h LYS 9 Ca -0.26 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 1dxf h LYS 9 Cb 1.05 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1dxf h LYS 9 CO 1.25 0.62 0.24 0.35 -0.57 0.00 0.00 179.45 181.35 1dxf h PHE 10 N 0.71 1.21 -0.58 -1.35 3.57 -1.95 0.34 116.94 118.89 1dxf h PHE 10 Ca 0.17 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1dxf h PHE 10 Cb 0.20 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1dxf h PHE 10 CO 0.01 0.94 0.12 -0.22 -2.23 0.00 0.00 178.31 176.93 1dxf h LYS 11 N 1.12 0.90 -0.10 1.11 3.64 -1.84 -2.32 116.57 119.09 1dxf h LYS 11 Ca 0.24 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1dxf h LYS 11 Cb 0.30 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1dxf h LYS 11 CO -0.01 0.83 -0.08 0.00 -2.27 0.00 0.00 179.45 177.92 1dxf h ALA 12 N 1.26 0.15 -0.59 5.00 0.00 -0.70 -2.76 119.26 121.62 1dxf h ALA 12 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1dxf h ALA 12 Cb 0.35 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1dxf h ALA 12 CO 0.00 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.53 1dxf h ALA 13 N 0.61 0.77 -0.10 0.00 0.00 -0.84 -1.44 119.26 118.26 1dxf h ALA 13 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dxf h ALA 13 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1dxf h ALA 13 CO 0.02 -0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1dxf h LEU 14 N 0.61 -0.03 -1.50 0.00 3.38 -1.44 -1.83 115.31 114.50 1dxf h LEU 14 Ca 0.26 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.35 1dxf h LEU 14 Cb 0.14 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1dxf h LEU 14 CO -0.16 0.00 0.47 0.00 0.09 0.00 0.00 178.44 178.84 1dxf h ALA 15 N 1.08 1.92 -0.05 1.53 0.00 -1.12 0.67 119.26 123.29 1dxf h ALA 15 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dxf h ALA 15 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dxf h ALA 15 CO -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1dxf n ALA 16 N -2.49 2.55 -2.47 0.00 0.00 -0.59 -4.90 120.51 112.62 1dxf n ALA 16 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1dxf n ALA 16 Cb 0.38 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1dxf n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dxf n LYS 17 N -0.46 -2.31 -3.14 0.00 4.01 0.23 -4.95 118.16 111.54 1dxf n LYS 17 Ca 0.09 0.56 -0.36 0.00 -0.51 0.00 0.00 58.31 58.10 1dxf n LYS 17 Cb 0.09 -5.16 -0.06 0.00 -0.51 0.00 0.00 35.03 29.39 1dxf n LYS 17 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1dxf s GLN 18 N -5.05 4.18 0.09 1.97 -2.07 -0.88 -4.90 119.66 113.00 1dxf s GLN 18 Ca 0.01 0.79 -0.33 0.00 -1.82 0.00 0.00 55.36 54.01 1dxf s GLN 18 Cb -0.01 -2.84 -0.12 0.00 -1.09 0.00 0.00 33.01 28.95 1dxf s GLN 18 CO 0.01 0.38 1.74 0.28 -1.32 0.00 0.00 175.29 176.38 1dxf n VAL 19 N 0.62 0.25 -4.06 3.63 0.31 -1.26 -4.64 118.33 113.19 1dxf n VAL 19 Ca -0.02 -0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 1dxf n VAL 19 Cb 0.51 -1.81 -0.15 0.00 -0.91 0.00 0.00 33.84 31.48 1dxf n VAL 19 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1dxf s GLN 20 N 2.25 2.94 -0.35 5.55 -1.52 0.79 -4.98 119.66 124.33 1dxf s GLN 20 Ca 0.83 -0.88 -0.13 0.00 -1.95 0.00 0.00 55.36 53.23 1dxf s GLN 20 Cb -0.62 -2.74 -0.01 0.00 -0.22 0.00 0.00 33.01 29.42 1dxf s GLN 20 CO 0.41 -0.28 0.24 0.42 -0.25 0.00 0.00 175.29 175.83 1dxf s ILE 21 N 1.30 5.16 0.47 1.08 -1.09 -1.26 -1.73 121.20 125.13 1dxf s ILE 21 Ca 0.03 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1dxf s ILE 21 Cb -0.15 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1dxf s ILE 21 CO -0.09 -0.07 0.01 -0.83 -1.23 0.00 0.00 174.94 172.73 1dxf s GLY 22 N 1.69 2.82 0.02 6.18 0.00 -0.60 0.33 107.32 117.76 1dxf s GLY 22 Ca 0.05 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1dxf s GLY 22 CO 0.10 -2.16 -0.04 0.00 0.00 0.00 0.00 173.10 171.00 1dxf s TRP 24 N -1.22 3.51 -0.06 0.00 -0.11 0.82 -1.33 118.94 120.56 1dxf s TRP 24 Ca -0.12 0.93 -0.01 0.00 1.22 0.00 0.00 56.10 58.12 1dxf s TRP 24 Cb -0.09 -2.37 0.03 0.00 -1.50 0.00 0.00 33.47 29.54 1dxf s TRP 24 CO -0.00 -0.18 0.01 0.45 -4.62 0.00 0.00 176.95 172.61 1dxf s SER 25 N -3.59 1.39 0.00 5.86 0.15 0.47 -1.27 113.70 116.70 1dxf s SER 25 Ca 0.49 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1dxf s SER 25 Cb -0.10 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1dxf s SER 25 CO 0.38 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.62 1dxf n ALA 26 N 5.10 1.09 0.25 5.45 0.00 -1.26 -2.20 120.51 128.93 1dxf n ALA 26 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.53 1dxf n ALA 26 Cb 0.50 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.83 1dxf n ALA 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1dxf h LEU 27 N 0.00 0.00 -2.09 0.00 3.38 -1.95 -3.40 115.31 111.25 1dxf h LEU 27 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1dxf h LEU 27 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1dxf h LEU 27 CO 0.00 0.00 -0.89 -1.20 0.09 0.00 0.00 178.44 176.44 1dxf n SER 28 N -2.65 -0.99 -3.62 -0.43 7.64 -1.26 -4.99 113.62 107.31 1dxf n SER 28 Ca -0.02 -1.00 -0.13 0.00 1.01 0.00 0.00 58.87 58.73 1dxf n SER 28 Cb 0.08 -3.12 -0.07 0.00 -1.01 0.00 0.00 64.21 60.10 1dxf n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dxf s ASN 29 N -4.25 -0.63 0.25 6.43 2.20 -1.26 -4.99 114.94 112.69 1dxf s ASN 29 Ca 0.07 1.14 -0.04 0.00 -0.94 0.00 0.00 52.86 53.08 1dxf s ASN 29 Cb -0.03 1.13 0.37 0.00 -2.00 0.00 0.00 41.25 40.72 1dxf s ASN 29 CO 0.88 -0.27 1.85 1.55 -2.94 0.00 0.00 177.10 178.18 1dxf h PRO 30 N 4.41 0.95 0.47 3.55 0.13 -1.86 -2.73 132.00 136.92 1dxf h PRO 30 Ca -0.28 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1dxf h PRO 30 Cb 1.16 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1dxf h PRO 30 CO 0.12 0.63 -0.45 0.82 -0.23 0.00 0.00 178.00 178.88 1dxf h ILE 31 N 0.98 0.10 -0.21 -3.56 1.08 -1.97 -0.98 117.51 112.95 1dxf h ILE 31 Ca 0.40 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.73 1dxf h ILE 31 Cb 0.22 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1dxf h ILE 31 CO -0.19 0.00 -0.43 0.77 -0.69 0.00 0.00 178.15 177.61 1dxf h SER 32 N -0.93 0.54 0.36 1.72 4.64 -1.98 -2.97 113.55 114.92 1dxf h SER 32 Ca -0.05 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1dxf h SER 32 Cb 0.81 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1dxf h SER 32 CO -0.05 0.90 -0.24 0.74 -0.87 0.00 0.00 176.83 177.31 1dxf h THR 33 N 0.41 0.97 -0.34 2.95 2.02 -1.40 0.17 112.91 117.70 1dxf h THR 33 Ca 0.03 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.23 1dxf h THR 33 Cb 0.92 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1dxf h THR 33 CO 0.08 0.23 -0.19 -0.08 0.37 0.00 0.00 175.52 175.93 1dxf h GLU 34 N 0.00 0.73 -0.37 6.66 4.81 -1.02 -0.33 114.58 125.06 1dxf h GLU 34 Ca -0.00 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1dxf h GLU 34 Cb 0.48 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1dxf h GLU 34 CO 0.03 0.94 -0.05 0.28 -0.73 0.00 0.00 179.01 179.49 1dxf h VAL 35 N 0.50 1.22 -0.69 0.32 2.07 -1.27 -2.48 116.25 115.92 1dxf h VAL 35 Ca 0.07 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1dxf h VAL 35 Cb 0.74 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1dxf h VAL 35 CO 0.06 0.32 0.22 0.25 0.02 0.00 0.00 177.57 178.43 1dxf h LEU 36 N 0.56 1.01 -1.10 2.57 5.85 -0.32 -2.50 115.31 121.38 1dxf h LEU 36 Ca 0.11 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1dxf h LEU 36 Cb 0.43 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1dxf h LEU 36 CO 0.02 0.95 0.00 0.61 -0.34 0.00 0.00 178.44 179.68 1dxf n GLY 37 N -0.74 -0.89 0.13 3.75 0.00 -0.17 -1.52 105.19 105.74 1dxf n GLY 37 Ca 0.05 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1dxf n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dxf h LEU 38 N 0.00 0.00 -0.72 0.99 3.38 -1.42 -3.38 115.31 114.15 1dxf h LEU 38 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1dxf h LEU 38 Cb 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1dxf h LEU 38 CO 0.00 0.48 0.17 0.00 0.09 0.00 0.00 178.44 179.18 1dxf h ALA 39 N 1.52 0.92 0.00 1.53 0.00 -1.37 -3.46 119.26 118.40 1dxf h ALA 39 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dxf h ALA 39 Cb 1.42 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1dxf h ALA 39 CO 0.05 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.37 1dxf n GLY 40 N -1.35 1.33 3.73 0.00 0.00 -1.26 -5.10 105.19 102.53 1dxf n GLY 40 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1dxf n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dxf s PHE 41 N -2.00 2.13 -0.54 1.61 0.08 -1.26 -4.89 117.98 113.10 1dxf s PHE 41 Ca 0.00 1.58 0.25 0.00 0.12 0.00 0.00 56.93 58.88 1dxf s PHE 41 Cb 0.00 -3.47 0.59 0.00 -0.57 0.00 0.00 43.02 39.58 1dxf s PHE 41 CO 0.00 -2.52 1.70 -0.44 -0.10 0.00 0.00 175.22 173.85 1dxf h ASP 42 N -0.10 0.00 -4.40 1.36 3.32 -0.45 -3.27 116.42 112.88 1dxf h ASP 42 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1dxf h ASP 42 Cb 1.29 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.64 1dxf h ASP 42 CO 0.51 0.00 0.15 -1.66 -1.72 0.00 0.00 179.24 176.51 1dxf s TRP 43 N -3.19 -0.73 -0.08 4.55 1.48 -1.23 -0.95 118.94 118.80 1dxf s TRP 43 Ca 0.08 1.59 0.03 0.00 -1.06 0.00 0.00 56.10 56.75 1dxf s TRP 43 Cb 0.08 0.32 0.01 0.00 -1.16 0.00 0.00 33.47 32.72 1dxf s TRP 43 CO 0.63 -0.47 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.36 1dxf s LEU 44 N -0.25 1.85 -0.47 -4.66 1.43 -0.57 -2.05 118.68 113.97 1dxf s LEU 44 Ca -0.04 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1dxf s LEU 44 Cb -0.03 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.16 1dxf s LEU 44 CO 0.05 0.10 0.50 -0.69 0.23 0.00 0.00 176.35 176.53 1dxf s VAL 45 N 0.45 5.05 -0.76 -1.59 1.01 -0.44 -0.33 120.40 123.79 1dxf s VAL 45 Ca -0.15 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1dxf s VAL 45 Cb -0.16 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.12 1dxf s VAL 45 CO 0.06 -0.60 1.18 -0.76 0.00 0.00 0.00 175.10 174.98 1dxf s LEU 46 N 2.19 3.75 -0.27 3.92 1.43 0.16 -0.40 118.68 129.47 1dxf s LEU 46 Ca 0.11 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 1dxf s LEU 46 Cb -0.20 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1dxf s LEU 46 CO 0.11 -1.61 1.53 -0.62 0.23 0.00 0.00 176.35 175.99 1dxf s ASP 47 N 3.87 6.42 -0.03 2.29 -1.08 -0.94 -1.90 116.67 125.30 1dxf s ASP 47 Ca 0.32 1.42 0.17 0.00 -0.52 0.00 0.00 52.55 53.94 1dxf s ASP 47 Cb -0.10 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.34 1dxf s ASP 47 CO 0.09 -1.26 1.43 0.61 0.52 0.00 0.00 175.17 176.56 1dxf n GLY 48 N 4.65 2.75 0.33 2.66 0.00 0.69 -3.91 105.19 112.35 1dxf n GLY 48 Ca 0.18 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1dxf n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dxf n GLU 49 N 0.98 0.34 -0.09 1.61 2.13 -1.18 -3.39 120.64 121.04 1dxf n GLU 49 Ca 0.19 0.12 0.04 0.00 0.66 0.00 0.00 57.16 58.17 1dxf n GLU 49 Cb 0.61 -1.16 0.09 0.00 0.27 0.00 0.00 31.44 31.25 1dxf n GLU 49 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1dxf n HIS 50 N -3.36 0.19 -4.21 4.31 8.25 -1.26 -4.96 115.22 114.17 1dxf n HIS 50 Ca -0.28 -0.65 -0.19 0.00 -0.26 0.00 0.00 57.72 56.33 1dxf n HIS 50 Cb 0.74 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 31.64 1dxf n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dxf s ALA 51 N -1.60 1.40 -0.04 -1.41 0.00 -1.25 -5.03 121.76 113.82 1dxf s ALA 51 Ca 0.16 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1dxf s ALA 51 Cb 0.12 -0.12 -0.14 0.00 0.00 0.00 0.00 23.12 22.98 1dxf s ALA 51 CO 0.05 0.19 2.22 -0.35 0.00 0.00 0.00 175.76 177.86 1dxf n PRO 52 N 1.01 1.14 -3.98 0.00 -0.04 -1.26 -4.65 135.00 127.23 1dxf n PRO 52 Ca -0.19 -0.59 -0.29 0.00 -0.04 0.00 0.00 63.50 62.39 1dxf n PRO 52 Cb 0.55 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1dxf n PRO 52 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dxf s ASN 53 N 2.49 6.06 0.23 3.54 0.01 -1.26 -4.89 114.94 121.12 1dxf s ASN 53 Ca 0.37 0.12 -0.21 0.00 -0.71 0.00 0.00 52.86 52.43 1dxf s ASN 53 Cb 0.17 -1.77 0.06 0.00 0.41 0.00 0.00 41.25 40.13 1dxf s ASN 53 CO -0.00 0.12 0.93 1.51 -1.51 0.00 0.00 177.10 178.15 1dxf s ASP 54 N -2.78 -0.07 0.39 -1.22 1.47 -1.26 -4.76 116.67 108.44 1dxf s ASP 54 Ca 0.33 -0.71 0.22 0.00 1.18 0.00 0.00 52.55 53.56 1dxf s ASP 54 Cb -0.12 0.60 1.23 0.00 -0.34 0.00 0.00 42.92 44.30 1dxf s ASP 54 CO 0.26 -1.17 1.67 0.40 0.68 0.00 0.00 175.17 177.01 1dxf h ILE 55 N 2.00 0.28 0.00 2.11 2.04 -1.99 0.43 117.51 122.38 1dxf h ILE 55 Ca -0.27 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1dxf h ILE 55 Cb 1.23 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1dxf h ILE 55 CO 0.33 0.04 -0.15 0.28 0.00 0.00 0.00 178.15 178.66 1dxf h SER 56 N 0.24 0.00 0.10 1.72 0.02 -2.01 -3.05 113.55 110.57 1dxf h SER 56 Ca 0.74 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.55 1dxf h SER 56 Cb 2.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.51 1dxf h SER 56 CO -0.46 0.15 -2.05 0.35 -1.14 0.00 0.00 176.83 173.68 1dxf n THR 57 N -3.27 0.60 -0.01 -2.27 -2.24 0.12 -4.49 114.28 102.72 1dxf n THR 57 Ca 0.01 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1dxf n THR 57 Cb 0.41 -0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1dxf n THR 57 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1dxf h PHE 58 N 0.00 0.07 -0.45 4.78 0.04 -0.52 -2.91 116.94 117.94 1dxf h PHE 58 Ca -0.20 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.60 1dxf h PHE 58 Cb 1.48 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.57 1dxf h PHE 58 CO 0.00 0.38 0.19 0.82 -0.60 0.00 0.00 178.31 179.10 1dxf h ILE 59 N -0.27 0.90 -0.65 -0.55 2.04 -1.77 0.48 117.51 117.70 1dxf h ILE 59 Ca 0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1dxf h ILE 59 Cb 0.36 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1dxf h ILE 59 CO 0.00 0.07 0.39 -0.65 0.00 0.00 0.00 178.15 177.96 1dxf h PRO 60 N 0.39 0.88 -0.36 2.37 0.11 -1.79 -2.64 132.00 130.96 1dxf h PRO 60 Ca 0.21 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1dxf h PRO 60 Cb 0.17 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1dxf h PRO 60 CO -0.18 0.63 -0.21 1.96 -0.21 0.00 0.00 178.00 179.99 1dxf h GLN 61 N 0.88 0.69 -0.90 1.05 4.20 -1.20 0.14 115.11 119.95 1dxf h GLN 61 Ca 0.23 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1dxf h GLN 61 Cb -0.02 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1dxf h GLN 61 CO -0.04 0.85 0.00 1.28 -0.67 0.00 0.00 178.83 180.24 1dxf n LEU 62 N -4.12 0.38 0.00 1.46 4.77 0.16 -1.60 117.00 118.05 1dxf n LEU 62 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1dxf n LEU 62 Cb 0.41 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1dxf n LEU 62 CO 0.43 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.57 1dxf n ALA 64 N 0.62 0.00 1.22 -1.18 0.00 0.47 -2.68 120.51 118.95 1dxf n ALA 64 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1dxf n ALA 64 Cb 0.07 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.87 1dxf n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dxf n LEU 65 N 0.00 1.06 -4.70 0.00 4.77 -0.63 -4.58 117.00 112.93 1dxf n LEU 65 Ca 0.00 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 1dxf n LEU 65 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1dxf n LEU 65 CO 0.00 0.20 1.44 -0.54 -1.33 0.00 0.00 177.39 177.16 1dxf s LYS 66 N -2.52 4.13 0.00 3.23 1.02 -1.09 -0.71 119.74 123.80 1dxf s LYS 66 Ca 0.23 2.60 0.00 0.00 0.02 0.00 0.00 55.97 58.83 1dxf s LYS 66 Cb 0.19 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1dxf s LYS 66 CO 0.53 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 1dxf n GLY 67 N 4.15 3.28 3.78 -3.33 0.00 -1.26 -5.05 105.19 106.75 1dxf n GLY 67 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1dxf n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dxf s SER 68 N -0.25 6.23 0.26 1.61 0.15 0.12 -4.91 113.70 116.90 1dxf s SER 68 Ca 0.00 2.17 0.26 0.00 0.70 0.00 0.00 55.95 59.07 1dxf s SER 68 Cb 0.00 -2.59 0.80 0.00 -1.71 0.00 0.00 66.02 62.52 1dxf s SER 68 CO 0.00 -0.87 1.75 0.00 1.20 0.00 0.00 173.24 175.32 1dxf h ALA 69 N 1.89 1.00 -2.67 5.45 0.00 -1.86 -3.45 119.26 119.61 1dxf h ALA 69 Ca -0.49 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.89 1dxf h ALA 69 Cb 1.24 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.06 1dxf h ALA 69 CO 0.60 0.00 0.65 -1.12 0.00 0.00 0.00 179.25 179.38 1dxf s SER 70 N -4.75 6.90 -0.25 0.00 0.01 -1.23 -4.84 113.70 109.53 1dxf s SER 70 Ca 0.09 2.40 -0.24 0.00 1.31 0.00 0.00 55.95 59.50 1dxf s SER 70 Cb 0.11 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1dxf s SER 70 CO 0.57 -0.53 0.81 0.00 0.41 0.00 0.00 173.24 174.51 1dxf s ALA 71 N 0.13 3.63 0.08 1.44 0.00 -0.13 -4.84 121.76 122.07 1dxf s ALA 71 Ca 0.57 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 1dxf s ALA 71 Cb -0.36 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 1dxf s ALA 71 CO 0.38 -0.95 1.26 -2.14 0.00 0.00 0.00 175.76 174.31 1dxf s PRO 72 N 2.84 4.39 -0.07 0.00 0.02 -1.26 -1.51 135.00 139.41 1dxf s PRO 72 Ca 0.34 1.87 0.03 0.00 0.02 0.00 0.00 61.00 63.26 1dxf s PRO 72 Cb -0.15 -3.32 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1dxf s PRO 72 CO 0.08 -0.32 -0.15 0.08 -0.33 0.00 0.00 177.00 176.36 1dxf s VAL 73 N 1.09 1.36 -0.15 3.83 1.01 0.55 -4.05 120.40 124.04 1dxf s VAL 73 Ca 0.61 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 1dxf s VAL 73 Cb -0.32 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1dxf s VAL 73 CO 0.29 0.40 0.08 0.54 0.00 0.00 0.00 175.10 176.42 1dxf s VAL 74 N 0.49 5.01 -0.47 2.92 0.11 -0.45 0.40 120.40 128.41 1dxf s VAL 74 Ca -0.13 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.81 1dxf s VAL 74 Cb -0.15 -3.21 0.08 0.00 -1.53 0.00 0.00 36.38 31.57 1dxf s VAL 74 CO 0.04 0.54 0.37 -0.60 -3.33 0.00 0.00 175.10 172.12 1dxf s ARG 75 N -0.31 2.87 0.60 1.54 3.00 -0.80 -0.73 118.95 125.12 1dxf s ARG 75 Ca 0.09 -1.44 -0.19 0.00 -1.00 0.00 0.00 55.73 53.19 1dxf s ARG 75 Cb -0.12 -4.06 -0.03 0.00 0.00 0.00 0.00 34.95 30.74 1dxf s ARG 75 CO 0.01 -1.06 1.26 0.14 0.00 0.00 0.00 175.30 175.65 1dxf s VAL 76 N 1.57 2.36 0.43 7.11 -7.23 -1.08 -0.23 120.40 123.34 1dxf s VAL 76 Ca 0.04 0.24 0.11 0.00 -1.81 0.00 0.00 61.98 60.55 1dxf s VAL 76 Cb -0.25 -3.10 0.23 0.00 0.56 0.00 0.00 36.38 33.82 1dxf s VAL 76 CO 0.05 -0.04 2.03 1.55 -0.31 0.00 0.00 175.10 178.38 1dxf h PRO 77 N 0.91 0.27 -2.13 4.82 0.13 -1.92 -3.39 132.00 130.70 1dxf h PRO 77 Ca -0.51 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1dxf h PRO 77 Cb 1.31 -0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.21 1dxf h PRO 77 CO 0.55 0.26 0.41 -0.08 -0.23 0.00 0.00 178.00 178.90 1dxf s THR 78 N -5.09 0.00 -0.84 1.56 -1.32 -1.26 -4.82 115.64 103.87 1dxf s THR 78 Ca -0.06 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.17 1dxf s THR 78 Cb 0.17 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1dxf s THR 78 CO 0.71 0.00 1.55 0.21 -2.21 0.00 0.00 174.62 174.88 1dxf s ASN 79 N -1.88 5.95 -0.19 8.08 2.47 -1.26 -4.90 114.94 123.21 1dxf s ASN 79 Ca -0.01 -0.68 -0.16 0.00 0.42 0.00 0.00 52.86 52.43 1dxf s ASN 79 Cb -0.01 -2.56 0.05 0.00 -1.45 0.00 0.00 41.25 37.29 1dxf s ASN 79 CO -0.03 -1.97 0.50 -1.83 -3.72 0.00 0.00 177.10 170.05 1dxf s GLU 80 N 5.92 0.56 0.21 0.43 4.04 -1.26 -5.03 118.70 123.57 1dxf s GLU 80 Ca 0.50 0.75 -0.18 0.00 0.04 0.00 0.00 54.97 56.08 1dxf s GLU 80 Cb -0.06 0.23 0.20 0.00 0.02 0.00 0.00 34.13 34.51 1dxf s GLU 80 CO 0.05 -0.09 1.58 -1.35 -1.84 0.00 0.00 175.26 173.61 1dxf h PRO 81 N 5.74 -0.09 0.06 -4.83 0.11 -1.91 -3.14 132.00 127.95 1dxf h PRO 81 Ca -0.29 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.85 1dxf h PRO 81 Cb 1.18 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1dxf h PRO 81 CO 0.20 -0.06 -0.24 0.28 -0.21 0.00 0.00 178.00 177.98 1dxf h VAL 82 N -0.09 0.46 -0.51 3.15 2.07 -1.98 0.23 116.25 119.57 1dxf h VAL 82 Ca 0.29 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 1dxf h VAL 82 Cb 0.57 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1dxf h VAL 82 CO -0.79 0.00 0.11 -0.29 0.02 0.00 0.00 177.57 176.62 1dxf h ILE 83 N -0.41 1.22 -0.58 4.57 6.09 -1.93 -1.70 117.51 124.77 1dxf h ILE 83 Ca 0.04 -0.82 -0.07 0.00 -1.37 0.00 0.00 64.86 62.65 1dxf h ILE 83 Cb 0.46 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 38.44 1dxf h ILE 83 CO -0.17 0.30 0.09 0.40 -3.07 0.00 0.00 178.15 175.70 1dxf h ILE 84 N 0.76 1.26 -0.16 2.19 2.04 -1.43 -0.15 117.51 122.01 1dxf h ILE 84 Ca 0.17 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.08 1dxf h ILE 84 Cb 0.30 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1dxf h ILE 84 CO 0.00 0.36 -0.09 0.50 0.00 0.00 0.00 178.15 178.92 1dxf h LYS 85 N 0.85 -0.07 -0.56 2.37 3.64 0.07 -0.20 116.57 122.68 1dxf h LYS 85 Ca 0.17 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1dxf h LYS 85 Cb 0.42 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1dxf h LYS 85 CO 0.01 -0.05 -0.05 0.00 -2.27 0.00 0.00 179.45 177.09 1dxf h ARG 86 N -0.08 1.01 0.00 1.90 3.08 -1.10 -2.88 114.38 116.31 1dxf h ARG 86 Ca 0.09 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 1dxf h ARG 86 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1dxf h ARG 86 CO -0.21 1.02 -0.40 -0.07 -1.07 0.00 0.00 179.97 179.24 1dxf h LEU 87 N 0.91 0.00 -0.22 3.04 3.38 -0.70 -2.80 115.31 118.91 1dxf h LEU 87 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1dxf h LEU 87 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1dxf h LEU 87 CO 0.04 0.40 0.05 -0.07 0.09 0.00 0.00 178.44 178.94 1dxf h LEU 88 N 0.00 0.35 -1.26 1.67 3.38 -0.83 -2.99 115.31 115.63 1dxf h LEU 88 Ca -0.00 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1dxf h LEU 88 Cb 0.72 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1dxf h LEU 88 CO 0.05 0.50 -0.33 0.44 0.09 0.00 0.00 178.44 179.19 1dxf h ASP 89 N 0.18 0.00 0.64 -0.43 3.32 -1.38 -2.88 116.42 115.86 1dxf h ASP 89 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1dxf h ASP 89 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1dxf h ASP 89 CO 0.00 0.33 0.00 2.30 -1.72 0.00 0.00 179.24 180.16 1dxf n ILE 90 N -3.80 0.15 0.00 0.35 -5.35 -1.07 -1.42 119.36 108.22 1dxf n ILE 90 Ca -0.01 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1dxf n ILE 90 Cb 0.42 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1dxf n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dxf n GLY 91 N 1.07 0.57 3.69 3.28 0.00 -1.09 -4.61 105.19 108.10 1dxf n GLY 91 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1dxf n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dxf s PHE 92 N -1.32 3.47 -0.60 1.61 0.08 -1.13 -4.91 117.98 115.18 1dxf s PHE 92 Ca 0.00 1.09 0.10 0.00 0.12 0.00 0.00 56.93 58.24 1dxf s PHE 92 Cb 0.00 -2.81 -0.07 0.00 -0.57 0.00 0.00 43.02 39.57 1dxf s PHE 92 CO 0.00 -0.05 0.48 0.66 -0.10 0.00 0.00 175.22 176.21 1dxf n TYR 93 N 4.45 0.00 -4.62 0.36 4.01 -1.26 -4.54 117.16 115.57 1dxf n TYR 93 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 1dxf n TYR 93 Cb 0.50 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.37 1dxf n TYR 93 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1dxf s ASN 94 N -1.74 2.12 0.06 7.72 0.01 -1.26 -1.18 114.94 120.67 1dxf s ASN 94 Ca 0.05 -0.36 0.08 0.00 -0.71 0.00 0.00 52.86 51.92 1dxf s ASN 94 Cb 0.08 -0.96 -0.03 0.00 0.41 0.00 0.00 41.25 40.74 1dxf s ASN 94 CO 0.35 0.04 -0.23 -0.36 -1.51 0.00 0.00 177.10 175.39 1dxf s PHE 95 N 0.73 2.02 -0.22 2.20 0.40 0.13 -1.34 117.98 121.90 1dxf s PHE 95 Ca -0.13 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1dxf s PHE 95 Cb -0.16 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1dxf s PHE 95 CO 0.03 0.15 -0.14 -1.17 0.70 0.00 0.00 175.22 174.79 1dxf s LEU 96 N -1.40 2.72 -0.29 -0.37 0.20 0.09 -0.36 118.68 119.27 1dxf s LEU 96 Ca 0.09 -0.84 -0.10 0.00 0.69 0.00 0.00 54.13 53.97 1dxf s LEU 96 Cb -0.09 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 1dxf s LEU 96 CO 0.03 -0.07 0.17 -0.63 -0.29 0.00 0.00 176.35 175.55 1dxf s ILE 97 N 1.27 4.93 0.53 6.68 -1.09 0.16 -2.65 121.20 131.04 1dxf s ILE 97 Ca 0.01 -0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.13 1dxf s ILE 97 Cb -0.15 -3.42 -0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1dxf s ILE 97 CO -0.09 0.17 1.01 -2.16 -1.23 0.00 0.00 174.94 172.64 1dxf s PRO 98 N 1.69 3.73 -1.18 2.79 0.04 -1.26 -0.41 135.00 140.40 1dxf s PRO 98 Ca 0.06 1.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.91 1dxf s PRO 98 Cb -0.16 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1dxf s PRO 98 CO 0.08 -0.46 0.74 1.19 0.04 0.00 0.00 177.00 178.59 1dxf n PHE 99 N -1.62 -1.64 -3.04 0.56 3.72 -1.25 -4.44 117.46 109.76 1dxf n PHE 99 Ca 0.08 0.25 -0.43 0.00 -0.05 0.00 0.00 57.45 57.29 1dxf n PHE 99 Cb 0.53 -3.10 -0.05 0.00 -0.94 0.00 0.00 39.48 35.92 1dxf n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1dxf s VAL 100 N -3.50 4.69 -0.09 -4.37 1.01 -0.79 -4.88 120.40 112.48 1dxf s VAL 100 Ca 0.49 -0.27 0.19 0.00 0.00 0.00 0.00 61.98 62.38 1dxf s VAL 100 Cb -0.22 -4.40 -0.28 0.00 0.00 0.00 0.00 36.38 31.47 1dxf s VAL 100 CO 0.92 -0.95 0.29 -0.62 0.00 0.00 0.00 175.10 174.74 1dxf n GLU 101 N 6.65 0.74 -4.32 2.72 1.02 -1.26 -4.57 120.64 121.62 1dxf n GLU 101 Ca -0.04 -0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 56.82 1dxf n GLU 101 Cb 0.46 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 1dxf n GLU 101 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dxf s THR 102 N -3.03 0.85 0.31 2.62 -4.23 -1.26 -3.68 115.64 107.23 1dxf s THR 102 Ca -0.08 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1dxf s THR 102 Cb 0.10 -2.44 0.18 0.00 1.34 0.00 0.00 72.50 71.67 1dxf s THR 102 CO 0.81 -0.22 1.88 0.50 -0.54 0.00 0.00 174.62 177.05 1dxf h LYS 103 N 2.44 0.73 -0.40 3.99 3.64 -1.88 -1.96 116.57 123.13 1dxf h LYS 103 Ca -0.38 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1dxf h LYS 103 Cb 1.23 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1dxf h LYS 103 CO 0.64 0.64 0.05 0.93 -2.27 0.00 0.00 179.45 179.44 1dxf h GLU 104 N 0.71 0.68 -0.50 1.90 3.07 -1.96 0.11 114.58 118.59 1dxf h GLU 104 Ca 0.16 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1dxf h GLU 104 Cb 0.23 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1dxf h GLU 104 CO -0.01 0.74 0.17 0.93 -1.40 0.00 0.00 179.01 179.44 1dxf h GLU 105 N 0.53 0.77 -0.64 2.33 5.08 -1.91 0.19 114.58 120.93 1dxf h GLU 105 Ca 0.12 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1dxf h GLU 105 Cb 0.40 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1dxf h GLU 105 CO 0.01 0.71 0.38 0.00 -1.00 0.00 0.00 179.01 179.11 1dxf h ALA 106 N 1.03 0.85 -0.10 3.43 0.00 -1.17 -1.03 119.26 122.25 1dxf h ALA 106 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1dxf h ALA 106 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1dxf h ALA 106 CO -0.01 0.09 0.07 0.93 0.00 0.00 0.00 179.25 180.33 1dxf h GLU 107 N 0.72 0.13 -0.72 0.00 5.08 -0.46 -2.51 114.58 116.83 1dxf h GLU 107 Ca 0.27 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.74 1dxf h GLU 107 Cb 0.09 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 1dxf h GLU 107 CO -0.14 0.09 0.32 1.25 -1.00 0.00 0.00 179.01 179.53 1dxf h LEU 108 N 0.14 0.35 0.06 1.33 6.46 0.11 -0.09 115.31 123.67 1dxf h LEU 108 Ca 0.04 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1dxf h LEU 108 Cb -0.01 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1dxf h LEU 108 CO -0.01 0.17 -0.03 0.00 -0.62 0.00 0.00 178.44 177.95 1dxf h ALA 109 N 1.49 -0.08 -0.01 1.25 0.00 -0.91 0.28 119.26 121.27 1dxf h ALA 109 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1dxf h ALA 109 Cb 0.50 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dxf h ALA 109 CO -0.34 -0.55 -0.00 0.28 0.00 0.00 0.00 179.25 178.65 1dxf h VAL 110 N -0.08 0.99 -0.92 0.00 2.07 -0.99 -2.57 116.25 114.74 1dxf h VAL 110 Ca -0.01 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1dxf h VAL 110 Cb 0.07 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1dxf h VAL 110 CO 0.01 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.19 1dxf h ALA 111 N 1.01 1.62 0.00 1.67 0.00 -0.82 -0.55 119.26 122.19 1dxf h ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dxf h ALA 111 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1dxf h ALA 111 CO -0.01 0.18 0.00 0.77 0.00 0.00 0.00 179.25 180.19 1dxf h SER 112 N 0.91 0.00 -0.10 0.00 0.02 -0.51 -0.03 113.55 113.84 1dxf h SER 112 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1dxf h SER 112 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1dxf h SER 112 CO -0.20 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.84 1dxf n THR 113 N -2.74 0.16 -5.14 -2.27 -2.24 -0.22 -4.22 114.28 97.61 1dxf n THR 113 Ca -0.02 -0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 1dxf n THR 113 Cb 0.07 1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 1dxf n THR 113 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dxf s ARG 114 N -1.31 1.91 0.65 -0.78 0.52 -0.82 -4.77 118.95 114.35 1dxf s ARG 114 Ca 0.21 -0.90 -0.14 0.00 -0.52 0.00 0.00 55.73 54.38 1dxf s ARG 114 Cb 0.14 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1dxf s ARG 114 CO 0.21 0.51 1.08 0.71 0.02 0.00 0.00 175.30 177.83 1dxf s TYR 115 N -0.61 2.82 0.56 -0.53 2.02 -1.26 -0.59 117.35 119.76 1dxf s TYR 115 Ca 0.09 1.52 -0.21 0.00 -0.37 0.00 0.00 57.07 58.11 1dxf s TYR 115 Cb -0.09 -3.06 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 1dxf s TYR 115 CO -0.00 -1.41 1.22 -2.30 -1.57 0.00 0.00 175.55 171.48 1dxf n PRO 116 N -2.44 1.38 -0.01 -1.71 -0.02 -1.15 -2.02 135.00 129.02 1dxf n PRO 116 Ca 0.09 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1dxf n PRO 116 Cb 0.53 -2.42 0.47 0.00 -0.02 0.00 0.00 33.50 32.06 1dxf n PRO 116 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dxf n PRO 117 N -1.03 1.73 -0.18 0.52 -0.04 -1.26 -4.82 135.00 129.91 1dxf n PRO 117 Ca 0.12 -1.06 -0.05 0.00 -0.04 0.00 0.00 63.50 62.47 1dxf n PRO 117 Cb 0.45 -1.47 0.12 0.00 -0.04 0.00 0.00 33.50 32.57 1dxf n PRO 117 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1dxf h GLU 118 N 2.51 0.96 0.00 0.54 3.07 -1.72 -3.47 114.58 116.47 1dxf h GLU 118 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1dxf h GLU 118 Cb 0.53 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1dxf h GLU 118 CO 0.00 0.87 0.00 0.41 -1.40 0.00 0.00 179.01 178.89 1dxf n GLY 119 N -0.72 4.07 0.64 -3.84 0.00 -0.86 -4.78 105.19 99.70 1dxf n GLY 119 Ca 0.04 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1dxf n GLY 119 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1dxf n ILE 120 N 0.00 1.50 -1.71 -0.61 -5.35 -0.09 -2.92 119.36 110.18 1dxf n ILE 120 Ca 0.00 -1.37 -0.43 0.00 -0.27 0.00 0.00 62.75 60.68 1dxf n ILE 120 Cb 0.00 0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 1dxf n ILE 120 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1dxf n ARG 121 N -0.03 2.61 -2.19 6.28 0.63 0.24 -4.93 116.66 119.27 1dxf n ARG 121 Ca 0.14 0.94 -0.35 0.00 -0.92 0.00 0.00 57.85 57.66 1dxf n ARG 121 Cb 0.59 -2.76 0.01 0.00 0.45 0.00 0.00 32.46 30.75 1dxf n ARG 121 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1dxf s GLY 122 N 1.03 2.68 -0.17 5.14 0.00 -1.26 -4.43 107.32 110.30 1dxf s GLY 122 Ca 0.75 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 46.31 1dxf s GLY 122 CO 0.35 1.26 0.00 0.14 0.00 0.00 0.00 173.10 174.86 1dxf s VAL 123 N -1.70 4.24 0.07 1.40 1.01 -1.26 -5.02 120.40 119.13 1dxf s VAL 123 Ca 0.74 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1dxf s VAL 123 Cb -0.26 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1dxf s VAL 123 CO 0.29 0.48 -0.13 -0.55 0.00 0.00 0.00 175.10 175.19 1dxf s SER 124 N 0.39 1.49 0.04 3.32 0.15 -1.26 -5.08 113.70 112.76 1dxf s SER 124 Ca -0.01 -0.61 0.22 0.00 0.70 0.00 0.00 55.95 56.25 1dxf s SER 124 Cb -0.13 -0.03 -0.21 0.00 -1.71 0.00 0.00 66.02 63.94 1dxf s SER 124 CO 0.02 -0.11 0.70 1.33 1.20 0.00 0.00 173.24 176.38 1dxf n VAL 125 N 1.27 0.18 -3.65 4.45 0.24 -1.26 -4.90 118.33 114.67 1dxf n VAL 125 Ca -0.21 -0.47 -0.19 0.00 -2.04 0.00 0.00 64.34 61.43 1dxf n VAL 125 Cb 0.54 -0.02 -0.17 0.00 -1.47 0.00 0.00 33.84 32.72 1dxf n VAL 125 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1dxf s SER 126 N -4.62 1.10 0.25 -1.34 0.15 -1.26 -4.30 113.70 103.69 1dxf s SER 126 Ca -0.04 0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.51 1dxf s SER 126 Cb 0.13 0.06 0.07 0.00 -1.71 0.00 0.00 66.02 64.57 1dxf s SER 126 CO 0.87 -0.26 0.95 -1.38 1.20 0.00 0.00 173.24 174.61 1dxf s HIS 127 N 2.23 0.08 0.33 3.44 -0.00 -1.26 -4.90 115.29 115.22 1dxf s HIS 127 Ca 0.04 -0.58 0.03 0.00 -0.00 0.00 0.00 55.06 54.56 1dxf s HIS 127 Cb -0.13 0.75 0.58 0.00 -0.00 0.00 0.00 32.58 33.78 1dxf s HIS 127 CO -0.05 -1.15 1.88 0.00 -0.00 0.00 0.00 174.74 175.41 1dxf h ARG 128 N 2.00 0.58 -0.41 -0.38 3.08 -1.74 0.70 114.38 118.21 1dxf h ARG 128 Ca -0.29 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.72 1dxf h ARG 128 Cb 1.23 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.11 1dxf h ARG 128 CO 0.37 0.58 -0.12 0.00 -1.07 0.00 0.00 179.97 179.73 1dxf h ALA 129 N 1.49 0.25 0.00 0.04 0.00 -1.45 -3.41 119.26 116.17 1dxf h ALA 129 Ca 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1dxf h ALA 129 Cb 0.30 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1dxf h ALA 129 CO 0.01 -0.47 -1.11 0.27 0.00 0.00 0.00 179.25 177.95 1dxf n ASN 130 N -5.32 1.92 -2.86 0.00 0.23 -1.18 -4.95 115.26 103.08 1dxf n ASN 130 Ca 0.02 0.39 0.00 0.00 -0.53 0.00 0.00 54.58 54.47 1dxf n ASN 130 Cb 0.23 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 1dxf n ASN 130 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1dxf n PHE 132 N -4.46 0.00 -0.99 -2.53 3.72 0.24 -1.54 117.46 111.90 1dxf n PHE 132 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1dxf n PHE 132 Cb 0.52 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1dxf n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxf n GLY 133 N 1.73 0.48 0.06 1.37 0.00 -1.26 -4.90 105.19 102.68 1dxf n GLY 133 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1dxf n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dxf n THR 134 N -2.99 0.59 -2.32 2.61 -2.24 -0.59 -4.90 114.28 104.44 1dxf n THR 134 Ca 0.00 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1dxf n THR 134 Cb 0.00 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1dxf n THR 134 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dxf s VAL 135 N -3.17 3.99 0.34 2.28 1.01 -0.77 -4.98 120.40 119.10 1dxf s VAL 135 Ca -0.07 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1dxf s VAL 135 Cb 0.11 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1dxf s VAL 135 CO 0.86 -0.03 1.38 0.00 0.00 0.00 0.00 175.10 177.31 1dxf s ALA 136 N 2.63 3.54 -1.62 5.51 0.00 -1.26 -3.20 121.76 127.36 1dxf s ALA 136 Ca 0.60 1.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.85 1dxf s ALA 136 Cb -0.28 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.40 1dxf s ALA 136 CO 0.23 -0.78 0.34 -3.47 0.00 0.00 0.00 175.76 172.08 1dxf n ASP 137 N 0.85 -0.58 0.09 0.00 2.03 -1.26 -4.82 116.55 112.85 1dxf n ASP 137 Ca 0.01 -1.17 -0.13 0.00 0.52 0.00 0.00 54.79 54.01 1dxf n ASP 137 Cb 0.41 -2.08 -0.08 0.00 -0.72 0.00 0.00 41.12 38.65 1dxf n ASP 137 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1dxf h TYR 138 N -1.55 -1.22 -0.42 -0.67 3.20 -1.97 -0.75 116.97 113.60 1dxf h TYR 138 Ca -0.63 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.35 1dxf h TYR 138 Cb 1.39 0.52 -0.09 0.00 1.54 0.00 0.00 36.73 40.08 1dxf h TYR 138 CO 0.57 -0.47 -0.38 0.74 -1.64 0.00 0.00 178.16 176.98 1dxf h PHE 139 N -0.60 -1.08 0.34 -3.82 0.04 -1.91 0.40 116.94 110.31 1dxf h PHE 139 Ca -0.01 0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1dxf h PHE 139 Cb 0.60 0.53 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 1dxf h PHE 139 CO -0.42 -0.41 -0.36 0.00 -0.60 0.00 0.00 178.31 176.52 1dxf h ALA 140 N 0.61 -0.76 -0.55 2.45 0.00 -1.92 -3.21 119.26 115.87 1dxf h ALA 140 Ca 0.16 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1dxf h ALA 140 Cb 0.56 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1dxf h ALA 140 CO -0.57 -0.97 -0.03 1.96 0.00 0.00 0.00 179.25 179.65 1dxf h GLN 141 N -0.73 0.97 -0.65 0.00 7.50 -0.75 -3.29 115.11 118.17 1dxf h GLN 141 Ca -0.02 -0.31 0.11 0.00 0.50 0.00 0.00 58.65 58.94 1dxf h GLN 141 Cb 0.67 -0.09 -0.08 0.00 0.05 0.00 0.00 27.48 28.02 1dxf h GLN 141 CO -0.08 0.97 0.21 1.03 -1.50 0.00 0.00 178.83 179.47 1dxf h SER 142 N 0.89 0.16 -0.06 1.46 0.87 -0.21 -1.43 113.55 115.23 1dxf h SER 142 Ca 0.16 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1dxf h SER 142 Cb 0.56 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1dxf h SER 142 CO 0.03 0.08 0.07 0.78 -0.53 0.00 0.00 176.83 177.27 1dxf h ASN 143 N 0.37 0.00 -0.47 6.23 4.21 -1.62 -1.74 115.58 122.56 1dxf h ASN 143 Ca 0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.85 1dxf h ASN 143 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1dxf h ASN 143 CO -0.37 0.00 0.00 2.29 -1.29 0.00 0.00 177.43 178.06 1dxf n LYS 144 N -3.78 2.84 -0.61 0.81 2.85 -0.58 -4.56 118.16 115.14 1dxf n LYS 144 Ca -0.01 -2.26 0.06 0.00 -1.05 0.00 0.00 58.31 55.05 1dxf n LYS 144 Cb 0.17 -1.37 0.15 0.00 -0.65 0.00 0.00 35.03 33.32 1dxf n LYS 144 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1dxf n ASN 145 N 0.86 1.64 -4.32 -5.58 3.02 -0.66 -4.95 115.26 105.27 1dxf n ASN 145 Ca 0.16 -3.31 -0.35 0.00 -0.03 0.00 0.00 54.58 51.04 1dxf n ASN 145 Cb 0.50 -0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 1dxf n ASN 145 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dxf s ILE 146 N -2.47 3.50 -0.14 2.41 -1.09 -1.24 -4.73 121.20 117.44 1dxf s ILE 146 Ca 0.34 -0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 57.98 1dxf s ILE 146 Cb 0.33 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 1dxf s ILE 146 CO -0.06 0.37 0.87 -0.89 -1.23 0.00 0.00 174.94 173.99 1dxf s THR 147 N 1.49 4.87 -0.25 2.92 2.01 -0.33 -4.97 115.64 121.38 1dxf s THR 147 Ca 0.05 1.72 -0.03 0.00 0.31 0.00 0.00 61.69 63.74 1dxf s THR 147 Cb -0.15 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1dxf s THR 147 CO -0.02 0.04 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.30 1dxf s ILE 148 N 2.00 3.28 -0.26 1.82 -1.09 -1.26 -0.70 121.20 124.99 1dxf s ILE 148 Ca 0.41 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1dxf s ILE 148 Cb -0.17 -2.62 0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1dxf s ILE 148 CO 0.14 0.23 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.27 1dxf s LEU 149 N 1.41 3.34 0.01 2.97 1.43 0.51 -0.96 118.68 127.38 1dxf s LEU 149 Ca 0.02 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 51.99 1dxf s LEU 149 Cb -0.16 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1dxf s LEU 149 CO -0.03 -0.16 0.34 0.68 0.23 0.00 0.00 176.35 177.41 1dxf s VAL 150 N 1.28 5.17 -0.27 -1.59 -7.23 -0.98 0.38 120.40 117.16 1dxf s VAL 150 Ca -0.02 0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 60.54 1dxf s VAL 150 Cb -0.18 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 1dxf s VAL 150 CO -0.04 0.45 0.19 -1.10 -0.31 0.00 0.00 175.10 174.30 1dxf s GLN 151 N -1.46 3.99 -0.49 4.82 -0.21 0.45 0.00 119.66 126.75 1dxf s GLN 151 Ca 0.26 -0.28 -0.16 0.00 0.02 0.00 0.00 55.36 55.20 1dxf s GLN 151 Cb -0.14 -3.63 0.08 0.00 1.00 0.00 0.00 33.01 30.32 1dxf s GLN 151 CO 0.14 -0.12 0.46 0.42 -2.12 0.00 0.00 175.29 174.07 1dxf s ILE 152 N 1.59 5.16 -0.08 1.08 -1.09 0.15 -1.88 121.20 126.14 1dxf s ILE 152 Ca 0.08 -1.05 0.23 0.00 -2.23 0.00 0.00 60.65 57.68 1dxf s ILE 152 Cb -0.15 -4.20 0.42 0.00 -1.58 0.00 0.00 42.46 36.95 1dxf s ILE 152 CO 0.09 -0.68 1.15 -1.84 -1.23 0.00 0.00 174.94 172.44 1dxf n GLU 153 N 5.40 0.51 -3.60 2.79 0.28 -1.26 -2.78 120.64 121.98 1dxf n GLU 153 Ca -0.12 -2.31 -0.13 0.00 -0.16 0.00 0.00 57.16 54.45 1dxf n GLU 153 Cb 0.43 -0.38 -0.05 0.00 1.43 0.00 0.00 31.44 32.87 1dxf n GLU 153 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1dxf s SER 154 N -2.39 -0.37 0.17 -1.84 1.04 -1.26 -3.05 113.70 106.00 1dxf s SER 154 Ca 0.29 0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 1dxf s SER 154 Cb 0.34 0.48 0.07 0.00 0.10 0.00 0.00 66.02 67.01 1dxf s SER 154 CO -0.12 -0.75 1.60 -0.61 0.98 0.00 0.00 173.24 174.34 1dxf h GLN 155 N 2.69 -0.22 -0.41 4.02 5.75 -1.90 0.05 115.11 125.09 1dxf h GLN 155 Ca -0.32 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 1dxf h GLN 155 Cb 1.23 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 1dxf h GLN 155 CO 0.43 -0.15 0.23 0.37 -2.65 0.00 0.00 178.83 177.05 1dxf h GLN 156 N -0.23 0.55 -0.25 1.69 4.15 -1.97 -1.39 115.11 117.66 1dxf h GLN 156 Ca 0.18 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1dxf h GLN 156 Cb 0.52 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1dxf h GLN 156 CO -0.53 0.40 -0.11 0.78 -1.93 0.00 0.00 178.83 177.45 1dxf h GLY 157 N 0.63 0.44 0.83 2.39 0.00 -1.11 -2.19 103.07 104.07 1dxf h GLY 157 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1dxf h GLY 157 CO -0.03 0.27 -0.43 -2.08 0.00 0.00 0.00 176.54 174.27 1dxf h VAL 158 N 0.38 1.38 -0.76 4.60 2.07 -0.23 -1.89 116.25 121.81 1dxf h VAL 158 Ca 0.08 -1.76 0.07 0.00 0.82 0.00 0.00 66.70 65.91 1dxf h VAL 158 Cb 0.43 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1dxf h VAL 158 CO 0.02 0.53 0.50 0.44 0.02 0.00 0.00 177.57 179.07 1dxf h ASP 159 N 0.07 0.67 -0.62 0.57 3.32 -1.12 -1.99 116.42 117.32 1dxf h ASP 159 Ca -0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1dxf h ASP 159 Cb 1.07 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1dxf h ASP 159 CO 0.09 0.43 0.00 0.59 -1.72 0.00 0.00 179.24 178.63 1dxf n ASN 160 N -4.49 4.39 -0.26 6.45 5.03 -0.84 -4.65 115.26 120.89 1dxf n ASN 160 Ca 0.12 -2.34 0.06 0.00 0.87 0.00 0.00 54.58 53.29 1dxf n ASN 160 Cb 0.26 -0.53 0.20 0.00 -1.02 0.00 0.00 39.78 38.69 1dxf n ASN 160 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1dxf h VAL 161 N 3.84 0.63 -0.40 2.41 3.04 -0.54 -0.40 116.25 124.83 1dxf h VAL 161 Ca 0.00 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1dxf h VAL 161 Cb 1.29 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 1dxf h VAL 161 CO 0.16 0.08 0.18 0.44 -1.01 0.00 0.00 177.57 177.42 1dxf h ASP 162 N 0.43 0.53 -0.66 3.17 3.32 -1.82 0.26 116.42 121.65 1dxf h ASP 162 Ca 0.43 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 1dxf h ASP 162 Cb 0.67 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1dxf h ASP 162 CO -0.42 0.53 0.23 0.00 -1.72 0.00 0.00 179.24 177.85 1dxf h ALA 163 N 1.03 0.86 -0.39 3.45 0.00 -1.73 -1.97 119.26 120.52 1dxf h ALA 163 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1dxf h ALA 163 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1dxf h ALA 163 CO -0.02 0.52 0.15 0.82 0.00 0.00 0.00 179.25 180.72 1dxf h ILE 164 N 0.95 1.20 0.00 0.00 2.04 -0.86 -2.91 117.51 117.92 1dxf h ILE 164 Ca 0.22 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1dxf h ILE 164 Cb 0.26 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1dxf h ILE 164 CO -0.01 0.22 -0.27 0.00 0.00 0.00 0.00 178.15 178.10 1dxf h ALA 165 N 0.99 1.23 -0.06 1.87 0.00 -0.78 -2.76 119.26 119.76 1dxf h ALA 165 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dxf h ALA 165 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1dxf h ALA 165 CO -0.01 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1dxf n ALA 166 N -2.34 2.58 -2.40 0.00 0.00 -0.75 -4.88 120.51 112.72 1dxf n ALA 166 Ca -0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1dxf n ALA 166 Cb 0.37 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1dxf n ALA 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dxf s THR 167 N -1.93 4.01 -0.06 0.00 2.01 -1.04 -4.97 115.64 113.66 1dxf s THR 167 Ca 0.36 1.46 -0.30 0.00 0.31 0.00 0.00 61.69 63.52 1dxf s THR 167 Cb 0.18 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1dxf s THR 167 CO 0.30 0.12 1.81 -0.70 -0.69 0.00 0.00 174.62 175.46 1dxf s GLU 168 N 0.98 4.03 0.00 4.92 2.56 -1.26 -2.21 118.70 127.72 1dxf s GLU 168 Ca 0.58 2.27 0.00 0.00 0.00 0.00 0.00 54.97 57.82 1dxf s GLU 168 Cb -0.30 -4.09 0.00 0.00 2.00 0.00 0.00 34.13 31.74 1dxf s GLU 168 CO 0.30 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.35 1dxf n GLY 169 N 4.49 1.38 3.57 -1.50 0.00 -1.26 -4.97 105.19 106.91 1dxf n GLY 169 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1dxf n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxf s VAL 170 N -1.59 3.62 -0.91 1.61 1.01 -0.94 -4.21 120.40 118.98 1dxf s VAL 170 Ca 0.00 0.52 0.26 0.00 0.00 0.00 0.00 61.98 62.76 1dxf s VAL 170 Cb 0.00 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 32.34 1dxf s VAL 170 CO 0.00 -0.95 1.59 0.47 0.00 0.00 0.00 175.10 176.21 1dxf n ASP 171 N 10.52 0.41 -3.64 3.32 8.00 -0.14 -4.92 116.55 130.10 1dxf n ASP 171 Ca 0.17 0.13 -0.06 0.00 0.71 0.00 0.00 54.79 55.73 1dxf n ASP 171 Cb 0.49 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 1dxf n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dxf s GLY 172 N -3.17 0.09 -0.33 0.44 0.00 -1.14 -4.34 107.32 98.87 1dxf s GLY 172 Ca 0.11 3.04 -0.15 0.00 0.00 0.00 0.00 44.72 47.72 1dxf s GLY 172 CO 0.64 1.80 0.35 -0.42 0.00 0.00 0.00 173.10 175.48 1dxf s ILE 173 N -0.00 5.18 -0.13 0.90 -1.09 -0.26 -2.31 121.20 123.49 1dxf s ILE 173 Ca 0.05 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.52 1dxf s ILE 173 Cb -0.05 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1dxf s ILE 173 CO -0.10 -0.06 0.02 0.12 -1.23 0.00 0.00 174.94 173.69 1dxf s PHE 174 N 2.00 3.18 -0.18 3.97 2.19 0.10 0.44 117.98 129.68 1dxf s PHE 174 Ca 0.12 0.08 -0.09 0.00 0.33 0.00 0.00 56.93 57.37 1dxf s PHE 174 Cb -0.16 -1.90 -0.05 0.00 -1.31 0.00 0.00 43.02 39.60 1dxf s PHE 174 CO 0.11 0.30 0.11 0.08 1.83 0.00 0.00 175.22 177.66 1dxf s VAL 175 N -0.33 5.23 -0.79 3.12 1.01 0.13 0.33 120.40 129.10 1dxf s VAL 175 Ca 0.07 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1dxf s VAL 175 Cb -0.12 -3.37 0.21 0.00 0.00 0.00 0.00 36.38 33.10 1dxf s VAL 175 CO 0.02 0.47 0.71 -0.83 0.00 0.00 0.00 175.10 175.47 1dxf s GLY 176 N 0.19 2.65 0.18 4.51 0.00 -1.12 -3.80 107.32 109.93 1dxf s GLY 176 Ca 0.07 -3.33 -0.22 0.00 0.00 0.00 0.00 44.72 41.25 1dxf s GLY 176 CO -0.01 1.23 1.59 -0.56 0.00 0.00 0.00 173.10 175.35 1dxf h PRO 177 N 7.60 -0.19 -0.47 2.90 0.13 -1.89 0.12 132.00 140.20 1dxf h PRO 177 Ca 0.09 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1dxf h PRO 177 Cb 1.02 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1dxf h PRO 177 CO 0.75 -0.13 0.31 0.77 -0.23 0.00 0.00 178.00 179.47 1dxf h SER 178 N -0.19 0.54 0.31 1.44 0.02 -1.94 -1.11 113.55 112.62 1dxf h SER 178 Ca 0.21 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.93 1dxf h SER 178 Cb 0.55 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1dxf h SER 178 CO -0.64 0.39 -0.90 0.44 -1.14 0.00 0.00 176.83 174.99 1dxf h ASP 179 N 0.64 0.53 -0.31 3.07 3.32 -1.77 -2.41 116.42 119.48 1dxf h ASP 179 Ca 0.17 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1dxf h ASP 179 Cb -0.07 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1dxf h ASP 179 CO -0.04 1.20 0.03 0.25 -1.72 0.00 0.00 179.24 178.96 1dxf h LEU 180 N 0.25 0.51 -0.67 1.55 5.85 -0.69 -0.79 115.31 121.33 1dxf h LEU 180 Ca -0.07 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1dxf h LEU 180 Cb 1.52 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 1dxf h LEU 180 CO 0.16 0.67 0.29 0.00 -0.34 0.00 0.00 178.44 179.21 1dxf h ALA 181 N 0.86 0.90 -0.46 1.25 0.00 -1.20 -0.17 119.26 120.45 1dxf h ALA 181 Ca 0.09 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1dxf h ALA 181 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1dxf h ALA 181 CO 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 179.25 179.07 1dxf h ALA 182 N 1.44 1.02 0.00 0.00 0.00 -1.17 0.49 119.26 121.04 1dxf h ALA 182 Ca 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dxf h ALA 182 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dxf h ALA 182 CO -0.30 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1dxf h ALA 183 N 1.19 1.44 -0.72 0.00 0.00 0.44 -1.57 119.26 120.05 1dxf h ALA 183 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dxf h ALA 183 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1dxf h ALA 183 CO 0.03 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1dxf n LEU 184 N -3.83 3.98 -1.56 0.00 4.77 -0.55 -4.73 117.00 115.09 1dxf n LEU 184 Ca -0.02 -1.99 -0.09 0.00 -0.03 0.00 0.00 56.01 53.88 1dxf n LEU 184 Cb 0.19 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1dxf n LEU 184 CO 0.30 0.95 0.07 0.61 -1.33 0.00 0.00 177.39 177.98 1dxf n GLY 185 N 1.59 0.34 2.70 -0.72 0.00 -0.59 -4.96 105.19 103.55 1dxf n GLY 185 Ca 0.24 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1dxf n GLY 185 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dxf n HIS 186 N -3.53 1.49 -1.70 1.61 -0.00 0.17 -5.00 115.22 108.26 1dxf n HIS 186 Ca -0.01 -2.22 -0.57 0.00 -0.00 0.00 0.00 57.72 54.93 1dxf n HIS 186 Cb 0.53 -0.26 -0.07 0.00 -0.00 0.00 0.00 29.99 30.20 1dxf n HIS 186 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1dxf n LEU 187 N -0.57 2.40 0.00 2.41 7.94 -1.24 0.22 117.00 128.16 1dxf n LEU 187 Ca 0.13 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1dxf n LEU 187 Cb 0.82 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1dxf n LEU 187 CO 0.14 -0.45 0.00 0.61 -1.11 0.00 0.00 177.39 176.57 1dxf n GLY 188 N 4.09 2.09 2.48 -3.96 0.00 -1.26 -4.94 105.19 103.69 1dxf n GLY 188 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1dxf n GLY 188 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dxf n ASN 189 N 0.00 3.11 0.20 1.61 4.05 0.13 -4.87 115.26 119.50 1dxf n ASN 189 Ca 0.00 -3.29 0.08 0.00 0.45 0.00 0.00 54.58 51.82 1dxf n ASN 189 Cb 0.00 -0.68 0.36 0.00 1.23 0.00 0.00 39.78 40.70 1dxf n ASN 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1dxf h ALA 190 N 4.40 0.97 0.00 5.20 0.00 -1.87 -2.85 119.26 125.12 1dxf h ALA 190 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dxf h ALA 190 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dxf h ALA 190 CO 0.76 0.37 0.00 0.43 0.00 0.00 0.00 179.25 180.82 1dxf n SER 191 N -3.41 0.00 -4.77 0.00 7.64 -1.26 -3.84 113.62 107.97 1dxf n SER 191 Ca 0.00 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 1dxf n SER 191 Cb 0.49 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1dxf n SER 191 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1dxf s HIS 192 N -2.37 2.78 0.34 1.43 2.46 -1.08 -4.74 115.29 114.11 1dxf s HIS 192 Ca 0.20 1.17 0.12 0.00 0.47 0.00 0.00 55.06 57.02 1dxf s HIS 192 Cb 0.12 -3.92 0.93 0.00 -0.13 0.00 0.00 32.58 29.58 1dxf s HIS 192 CO 0.24 -2.73 1.75 -1.35 -2.47 0.00 0.00 174.74 170.18 1dxf h PRO 193 N 3.54 0.53 -0.69 2.88 0.11 -1.92 0.14 132.00 136.60 1dxf h PRO 193 Ca -0.49 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1dxf h PRO 193 Cb 1.23 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1dxf h PRO 193 CO 0.68 0.35 0.16 -0.44 -0.21 0.00 0.00 178.00 178.54 1dxf h ASP 194 N 0.55 1.06 0.12 -2.05 3.32 -1.94 -1.08 116.42 116.40 1dxf h ASP 194 Ca 0.62 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1dxf h ASP 194 Cb 1.26 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1dxf h ASP 194 CO -0.40 1.02 -0.06 0.58 -1.72 0.00 0.00 179.24 178.66 1dxf h VAL 195 N 1.04 1.07 -0.86 -1.35 2.07 -1.14 -2.97 116.25 114.12 1dxf h VAL 195 Ca 0.22 -1.12 0.17 0.00 0.82 0.00 0.00 66.70 66.79 1dxf h VAL 195 Cb 0.38 1.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.79 1dxf h VAL 195 CO 0.00 0.25 0.42 1.56 0.02 0.00 0.00 177.57 179.82 1dxf h GLN 196 N -0.71 0.54 -0.60 1.57 1.08 -0.81 -0.26 115.11 115.92 1dxf h GLN 196 Ca -0.02 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1dxf h GLN 196 Cb 0.53 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 1dxf h GLN 196 CO 0.03 0.36 0.32 -0.22 -0.95 0.00 0.00 178.83 178.36 1dxf h LYS 197 N 0.55 0.58 -0.48 1.46 3.64 -1.19 -0.66 116.57 120.48 1dxf h LYS 197 Ca 0.49 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.73 1dxf h LYS 197 Cb 0.76 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1dxf h LYS 197 CO -0.41 0.38 -0.09 0.00 -2.27 0.00 0.00 179.45 177.06 1dxf h ALA 198 N 1.32 0.65 -0.62 5.00 0.00 -0.93 -0.76 119.26 123.93 1dxf h ALA 198 Ca 0.27 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1dxf h ALA 198 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1dxf h ALA 198 CO -0.17 0.54 0.40 0.82 0.00 0.00 0.00 179.25 180.83 1dxf h ILE 199 N 0.75 1.12 -0.37 0.00 2.04 -0.76 0.83 117.51 121.13 1dxf h ILE 199 Ca 0.12 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1dxf h ILE 199 Cb 0.64 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1dxf h ILE 199 CO 0.04 0.15 0.21 -0.61 0.00 0.00 0.00 178.15 177.94 1dxf h GLN 200 N 0.80 0.51 -0.01 2.37 -0.00 -0.94 -2.05 115.11 115.79 1dxf h GLN 200 Ca 0.24 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.84 1dxf h GLN 200 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.32 1dxf h GLN 200 CO -0.07 0.40 -0.04 1.25 0.00 0.00 0.00 178.83 180.37 1dxf h HIS 201 N 0.48 -0.10 -0.89 3.99 2.76 -0.45 -1.41 115.15 119.53 1dxf h HIS 201 Ca 0.13 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1dxf h HIS 201 Cb 0.03 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 28.97 1dxf h HIS 201 CO -0.03 -0.06 0.55 0.82 -1.30 0.00 0.00 177.93 177.90 1dxf h ILE 202 N -0.06 1.01 -0.72 6.26 2.04 -0.74 -0.03 117.51 125.26 1dxf h ILE 202 Ca 0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1dxf h ILE 202 Cb 0.09 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 1dxf h ILE 202 CO -0.05 0.18 0.40 -0.26 0.00 0.00 0.00 178.15 178.41 1dxf h PHE 203 N 0.97 0.99 -0.25 1.37 -1.00 -0.85 0.90 116.94 119.07 1dxf h PHE 203 Ca 0.40 -0.02 -0.10 0.00 2.81 0.00 0.00 57.97 61.06 1dxf h PHE 203 Cb 0.25 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1dxf h PHE 203 CO -0.03 0.70 -0.22 -0.91 -1.61 0.00 0.00 178.31 176.24 1dxf h ASN 204 N 1.00 0.63 0.41 2.17 2.35 -0.43 -0.65 115.58 121.05 1dxf h ASN 204 Ca 0.25 -0.46 -0.05 0.00 -0.55 0.00 0.00 56.30 55.50 1dxf h ASN 204 Cb 0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1dxf h ASN 204 CO -0.04 0.96 -0.22 0.03 -1.65 0.00 0.00 177.43 176.50 1dxf h ARG 205 N 0.31 0.00 0.13 0.81 2.47 -0.83 0.82 114.38 118.08 1dxf h ARG 205 Ca 0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1dxf h ARG 205 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1dxf h ARG 205 CO 0.06 0.22 -0.06 0.00 0.56 0.00 0.00 179.97 180.75 1dxf h ALA 206 N 1.78 -0.17 -0.16 0.04 0.00 -0.61 -2.97 119.26 117.18 1dxf h ALA 206 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1dxf h ALA 206 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dxf h ALA 206 CO 0.03 -0.28 0.07 1.03 0.00 0.00 0.00 179.25 180.10 1dxf h SER 207 N -0.80 0.18 -0.35 0.00 0.87 -0.83 -0.68 113.55 111.95 1dxf h SER 207 Ca -0.02 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1dxf h SER 207 Cb 0.55 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1dxf h SER 207 CO 0.03 0.16 0.24 0.00 -0.53 0.00 0.00 176.83 176.73 1dxf h ALA 208 N 1.87 1.95 -0.52 6.23 0.00 0.75 -1.24 119.26 128.29 1dxf h ALA 208 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dxf h ALA 208 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1dxf h ALA 208 CO -0.01 -0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.96 1dxf n HIS 209 N -4.48 1.28 -2.17 0.00 8.25 -0.39 -4.94 115.22 112.76 1dxf n HIS 209 Ca 0.04 -0.66 -0.15 0.00 -0.26 0.00 0.00 57.72 56.69 1dxf n HIS 209 Cb 0.20 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1dxf n HIS 209 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dxf n GLY 210 N 0.68 -0.01 3.38 -1.41 0.00 -0.47 -4.95 105.19 102.42 1dxf n GLY 210 Ca 0.23 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1dxf n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxf s LYS 211 N -4.54 3.44 0.71 1.61 -0.14 -0.44 -5.00 119.74 115.37 1dxf s LYS 211 Ca 0.00 -0.64 -0.16 0.00 -1.36 0.00 0.00 55.97 53.81 1dxf s LYS 211 Cb 0.00 -2.77 0.03 0.00 -1.68 0.00 0.00 37.83 33.41 1dxf s LYS 211 CO 0.00 0.13 1.24 -1.25 -0.76 0.00 0.00 175.35 174.70 1dxf s PRO 212 N 0.60 2.23 0.22 -1.68 0.04 -1.26 -3.33 135.00 131.81 1dxf s PRO 212 Ca -0.06 1.87 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1dxf s PRO 212 Cb -0.15 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1dxf s PRO 212 CO 0.03 -1.79 0.06 -1.54 0.04 0.00 0.00 177.00 173.80 1dxf s SER 213 N -1.81 4.94 0.17 6.66 1.04 -1.26 -1.10 113.70 122.34 1dxf s SER 213 Ca 0.77 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 1dxf s SER 213 Cb -0.32 -1.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.71 1dxf s SER 213 CO 0.44 0.03 0.34 -0.83 0.98 0.00 0.00 173.24 174.20 1dxf s GLY 214 N -3.38 0.38 0.09 7.32 0.00 0.17 -1.49 107.32 110.42 1dxf s GLY 214 Ca 0.30 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.99 1dxf s GLY 214 CO 0.21 -0.72 0.97 -1.50 0.00 0.00 0.00 173.10 172.06 1dxf s ILE 215 N -3.95 0.00 -0.28 0.90 2.07 -1.12 0.19 121.20 119.01 1dxf s ILE 215 Ca 0.16 -0.44 -0.06 0.00 -1.41 0.00 0.00 60.65 58.90 1dxf s ILE 215 Cb 0.02 -1.70 0.01 0.00 0.13 0.00 0.00 42.46 40.91 1dxf s ILE 215 CO 0.00 0.00 0.06 -0.22 -1.91 0.00 0.00 174.94 172.87 1dxf s LEU 216 N -2.81 3.68 -0.50 8.50 2.96 -1.25 -1.34 118.68 127.92 1dxf s LEU 216 Ca 0.10 -0.66 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1dxf s LEU 216 Cb -0.01 -1.85 0.15 0.00 0.50 0.00 0.00 46.19 44.98 1dxf s LEU 216 CO -0.01 -0.16 0.32 0.00 -1.32 0.00 0.00 176.35 175.18 1dxf s ALA 217 N 1.49 2.38 0.48 5.97 0.00 1.00 -4.79 121.76 128.28 1dxf s ALA 217 Ca 0.03 -2.86 0.24 0.00 0.00 0.00 0.00 51.96 49.37 1dxf s ALA 217 Cb -0.17 -1.89 1.43 0.00 0.00 0.00 0.00 23.12 22.49 1dxf s ALA 217 CO 0.01 -2.05 2.11 -1.00 0.00 0.00 0.00 175.76 174.83 1dxf h PRO 218 N 6.18 0.00 -5.77 0.00 0.13 -1.75 -3.37 132.00 127.42 1dxf h PRO 218 Ca 0.09 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.64 1dxf h PRO 218 Cb 0.88 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.93 1dxf h PRO 218 CO 0.51 0.10 -0.01 0.08 -0.23 0.00 0.00 178.00 178.45 1dxf s VAL 219 N -4.48 5.10 0.13 1.56 1.01 -1.26 -4.71 120.40 117.75 1dxf s VAL 219 Ca -0.04 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.84 1dxf s VAL 219 Cb 0.15 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1dxf s VAL 219 CO 0.61 0.24 1.66 -0.08 0.00 0.00 0.00 175.10 177.52 1dxf h GLU 220 N 7.00 -0.25 -0.92 2.72 4.81 -1.90 -1.88 114.58 124.17 1dxf h GLU 220 Ca -0.38 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.08 1dxf h GLU 220 Cb 1.17 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1dxf h GLU 220 CO 0.76 -0.16 0.61 0.00 -0.73 0.00 0.00 179.01 179.48 1dxf h ALA 221 N 0.73 2.26 0.02 2.92 0.00 -1.94 0.14 119.26 123.38 1dxf h ALA 221 Ca 0.08 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1dxf h ALA 221 Cb 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1dxf h ALA 221 CO -0.24 -0.56 -1.03 -0.44 0.00 0.00 0.00 179.25 176.98 1dxf h ASP 222 N 0.37 0.75 -0.41 0.00 5.19 -1.78 -2.15 116.42 118.40 1dxf h ASP 222 Ca 0.48 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1dxf h ASP 222 Cb 1.25 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1dxf h ASP 222 CO -0.18 1.42 0.27 0.00 -3.12 0.00 0.00 179.24 177.63 1dxf h ALA 223 N 0.52 0.52 -0.35 3.45 0.00 -0.04 -0.27 119.26 123.10 1dxf h ALA 223 Ca -0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1dxf h ALA 223 Cb 1.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1dxf h ALA 223 CO 0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.29 1dxf h ARG 224 N 0.56 0.62 -0.05 0.00 3.08 -1.03 -1.30 114.38 116.27 1dxf h ARG 224 Ca 0.15 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1dxf h ARG 224 Cb -0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1dxf h ARG 224 CO -0.03 0.74 0.02 -0.09 -1.07 0.00 0.00 179.97 179.54 1dxf h ARG 225 N 0.56 0.07 -0.33 0.04 2.43 -0.73 0.98 114.38 117.39 1dxf h ARG 225 Ca 0.10 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1dxf h ARG 225 Cb 0.57 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1dxf h ARG 225 CO 0.04 0.22 -0.06 1.88 -1.51 0.00 0.00 179.97 180.54 1dxf h TYR 226 N -0.10 0.58 -0.13 2.20 0.05 -0.93 -0.68 116.97 117.96 1dxf h TYR 226 Ca 0.01 -0.08 -0.15 0.00 0.05 0.00 0.00 58.73 58.57 1dxf h TYR 226 Cb 0.18 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1dxf h TYR 226 CO -0.01 0.61 -0.56 -0.07 -1.05 0.00 0.00 178.16 177.07 1dxf h LEU 227 N 0.51 0.44 -0.95 3.88 3.38 -1.09 -1.32 115.31 120.15 1dxf h LEU 227 Ca 0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1dxf h LEU 227 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1dxf h LEU 227 CO 0.02 0.91 -0.04 -0.08 0.09 0.00 0.00 178.44 179.34 1dxf h GLU 228 N 0.30 0.72 0.00 1.13 4.22 -0.09 -1.06 114.58 119.79 1dxf h GLU 228 Ca 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 59.36 59.24 1dxf h GLU 228 Cb 1.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1dxf h GLU 228 CO 0.10 0.76 0.00 0.91 -2.18 0.00 0.00 179.01 178.59 1dxf n TRP 229 N -4.21 0.07 0.00 0.92 7.02 -0.33 -4.88 117.44 116.03 1dxf n TRP 229 Ca 0.02 0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1dxf n TRP 229 Cb 0.31 -0.54 0.00 0.00 -2.42 0.00 0.00 31.31 28.66 1dxf n TRP 229 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dxf n GLY 230 N 0.37 0.97 3.74 6.99 0.00 -0.40 -5.01 105.19 111.86 1dxf n GLY 230 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1dxf n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxf s ALA 231 N -2.00 3.61 -0.24 4.61 0.00 -0.53 -4.72 121.76 122.49 1dxf s ALA 231 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1dxf s ALA 231 Cb 0.00 -3.54 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 1dxf s ALA 231 CO 0.00 -0.69 -0.10 0.25 0.00 0.00 0.00 175.76 175.22 1dxf n THR 232 N 2.46 1.55 -3.38 0.00 -2.24 -0.55 -4.52 114.28 107.61 1dxf n THR 232 Ca 0.07 -0.36 -0.45 0.00 -2.27 0.00 0.00 64.05 61.04 1dxf n THR 232 Cb 0.41 -1.82 -0.06 0.00 -2.10 0.00 0.00 70.33 66.76 1dxf n THR 232 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1dxf s PHE 233 N -2.48 3.28 -0.10 4.78 -0.71 -1.03 -0.15 117.98 121.57 1dxf s PHE 233 Ca -0.34 -1.29 0.03 0.00 -1.04 0.00 0.00 56.93 54.30 1dxf s PHE 233 Cb 0.10 -3.54 -0.01 0.00 -1.21 0.00 0.00 43.02 38.37 1dxf s PHE 233 CO 0.57 -0.95 -0.21 0.08 -1.34 0.00 0.00 175.22 173.37 1dxf s VAL 234 N 1.57 2.32 -0.38 -2.49 1.01 -0.71 -2.78 120.40 118.95 1dxf s VAL 234 Ca 0.04 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1dxf s VAL 234 Cb -0.28 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1dxf s VAL 234 CO 0.03 0.55 0.54 0.00 0.00 0.00 0.00 175.10 176.23 1dxf s ALA 235 N 0.24 3.44 -1.47 5.51 0.00 -0.45 -1.56 121.76 127.47 1dxf s ALA 235 Ca -0.14 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.79 1dxf s ALA 235 Cb -0.17 -3.10 0.24 0.00 0.00 0.00 0.00 23.12 20.10 1dxf s ALA 235 CO 0.07 -1.39 1.07 1.33 0.00 0.00 0.00 175.76 176.84 1dxf n VAL 236 N 5.53 0.58 -3.22 0.00 0.24 -0.31 -0.00 118.33 121.14 1dxf n VAL 236 Ca -0.04 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1dxf n VAL 236 Cb 0.48 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1dxf n VAL 236 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dxf n GLY 237 N 0.60 -1.48 3.06 7.63 0.00 -1.26 -4.33 105.19 109.41 1dxf n GLY 237 Ca 0.09 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1dxf n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dxf s SER 238 N -3.41 0.61 0.27 1.61 1.04 -1.26 -0.12 113.70 112.44 1dxf s SER 238 Ca 0.00 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.66 1dxf s SER 238 Cb 0.00 0.11 0.35 0.00 0.10 0.00 0.00 66.02 66.59 1dxf s SER 238 CO 0.00 -0.39 1.88 -2.24 0.98 0.00 0.00 173.24 173.47 1dxf h ASP 239 N 3.91 0.94 0.41 7.02 2.03 -1.55 -0.36 116.42 128.82 1dxf h ASP 239 Ca -0.34 -0.10 -0.02 0.00 -0.73 0.00 0.00 57.03 55.84 1dxf h ASP 239 Cb 1.18 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 1dxf h ASP 239 CO 0.52 0.79 -0.20 0.25 -1.03 0.00 0.00 179.24 179.57 1dxf h LEU 240 N 1.05 -0.47 -0.83 0.15 5.85 -1.96 0.13 115.31 119.23 1dxf h LEU 240 Ca 0.26 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1dxf h LEU 240 Cb 0.08 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1dxf h LEU 240 CO -0.04 -0.31 0.20 1.23 -0.34 0.00 0.00 178.44 179.18 1dxf h GLY 241 N -0.59 1.15 0.65 3.75 0.00 -1.92 0.11 103.07 106.22 1dxf h GLY 241 Ca -0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 1dxf h GLY 241 CO 0.09 0.64 -0.00 -2.08 0.00 0.00 0.00 176.54 175.19 1dxf h VAL 242 N 1.03 1.29 -0.32 4.60 2.07 -0.99 0.01 116.25 123.93 1dxf h VAL 242 Ca 0.22 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1dxf h VAL 242 Cb 0.31 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1dxf h VAL 242 CO -0.00 0.23 0.21 0.15 0.02 0.00 0.00 177.57 178.17 1dxf h PHE 243 N -0.33 0.40 0.22 1.57 3.57 -0.61 0.21 116.94 121.96 1dxf h PHE 243 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1dxf h PHE 243 Cb 0.37 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1dxf h PHE 243 CO 0.05 0.25 -0.22 -0.09 -2.23 0.00 0.00 178.31 176.07 1dxf h ARG 244 N 0.43 -0.45 -0.55 1.11 9.65 -0.77 -1.29 114.38 122.50 1dxf h ARG 244 Ca 0.12 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.00 1dxf h ARG 244 Cb -0.04 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1dxf h ARG 244 CO -0.03 -0.30 0.22 1.03 2.80 0.00 0.00 179.97 183.69 1dxf h SER 245 N -0.47 0.76 0.00 -3.80 0.87 -0.77 -2.14 113.55 108.01 1dxf h SER 245 Ca -0.00 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 1dxf h SER 245 Cb 0.44 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1dxf h SER 245 CO -0.05 0.72 -0.32 0.00 -0.53 0.00 0.00 176.83 176.65 1dxf h ALA 246 N 1.07 1.03 0.00 6.23 0.00 -0.52 -1.29 119.26 125.78 1dxf h ALA 246 Ca 0.18 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1dxf h ALA 246 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1dxf h ALA 246 CO -0.02 0.59 -0.87 1.79 0.00 0.00 0.00 179.25 180.74 1dxf h THR 247 N 0.40 1.61 -0.20 0.00 1.35 -1.16 -1.89 112.91 113.02 1dxf h THR 247 Ca 0.05 -3.02 -0.10 0.00 -0.55 0.00 0.00 66.41 62.79 1dxf h THR 247 Cb 0.76 2.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1dxf h THR 247 CO 0.06 0.86 -0.25 -0.61 -0.25 0.00 0.00 175.52 175.32 1dxf h GLN 248 N 0.00 0.52 -0.27 4.72 5.75 -1.26 -2.39 115.11 122.18 1dxf h GLN 248 Ca -0.01 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1dxf h GLN 248 Cb 1.57 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.12 1dxf h GLN 248 CO 0.11 0.89 0.17 0.87 -2.65 0.00 0.00 178.83 178.22 1dxf h LYS 249 N 0.19 0.35 -0.83 1.69 6.56 -1.22 -0.39 116.57 122.91 1dxf h LYS 249 Ca 0.02 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1dxf h LYS 249 Cb 0.82 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.36 1dxf h LYS 249 CO 0.06 0.24 0.54 1.25 -2.06 0.00 0.00 179.45 179.48 1dxf h LEU 250 N 0.35 0.96 -0.27 2.94 5.85 -1.33 -1.50 115.31 122.33 1dxf h LEU 250 Ca 0.10 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1dxf h LEU 250 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1dxf h LEU 250 CO -0.02 0.71 0.08 0.00 -0.34 0.00 0.00 178.44 178.87 1dxf h ALA 251 N 1.30 0.35 0.16 1.25 0.00 -1.16 -3.27 119.26 117.89 1dxf h ALA 251 Ca 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dxf h ALA 251 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1dxf h ALA 251 CO -0.06 -0.01 -0.17 -0.44 0.00 0.00 0.00 179.25 178.57 1dxf h ASP 252 N 0.27 -0.45 0.00 0.00 3.32 -0.66 -0.23 116.42 118.67 1dxf h ASP 252 Ca 0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1dxf h ASP 252 Cb 0.25 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1dxf h ASP 252 CO -0.00 -0.25 0.24 0.35 -1.72 0.00 0.00 179.24 177.86 1dxf n THR 253 N -5.29 0.72 0.02 0.35 -2.24 -0.60 -1.35 114.28 105.90 1dxf n THR 253 Ca -0.08 0.73 0.01 0.00 -2.27 0.00 0.00 64.05 62.44 1dxf n THR 253 Cb 0.21 -1.73 -0.01 0.00 -2.10 0.00 0.00 70.33 66.70 1dxf n THR 253 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1dxf n PHE 254 N -2.06 0.00 -3.10 4.78 3.01 -1.03 -4.78 117.46 114.27 1dxf n PHE 254 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 1dxf n PHE 254 Cb 0.26 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 1dxf n PHE 254 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1dxf n LYS 255 N -1.31 2.45 0.00 -1.08 5.02 -0.12 -5.13 118.16 117.99 1dxf n LYS 255 Ca -0.00 -4.40 0.00 0.00 -2.02 0.00 0.00 58.31 51.89 1dxf n LYS 255 Cb 0.03 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1dxf n LYS 255 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05