#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekf s ILE 2 N 0.00 4.55 0.04 2.28 1.01 -1.26 -4.44 121.20 123.39 3ekf s ILE 2 Ca 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 60.65 61.42 3ekf s ILE 2 Cb 0.00 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3ekf s ILE 2 CO 0.00 -0.69 0.35 -0.75 0.00 0.00 0.00 174.94 173.85 3ekf s LYS 3 N 3.55 3.70 0.04 2.79 2.20 -0.51 -5.06 119.74 126.45 3ekf s LYS 3 Ca 0.36 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 3ekf s LYS 3 Cb -0.11 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 3ekf s LYS 3 CO 0.23 0.61 1.21 -2.00 -0.36 0.00 0.00 175.35 175.03 3ekf s GLU 4 N -1.78 4.41 0.04 4.03 2.12 -1.26 -4.74 118.70 121.51 3ekf s GLU 4 Ca 0.30 1.76 -0.30 0.00 0.36 0.00 0.00 54.97 57.08 3ekf s GLU 4 Cb -0.14 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 3ekf s GLU 4 CO 0.17 -0.30 1.32 1.41 -0.54 0.00 0.00 175.26 177.32 3ekf s MET 5 N 1.31 4.34 0.55 4.30 -2.45 -1.26 -4.99 119.30 121.10 3ekf s MET 5 Ca 0.58 1.91 -0.19 0.00 -1.25 0.00 0.00 55.69 56.74 3ekf s MET 5 Cb -0.29 -3.44 -0.08 0.00 1.25 0.00 0.00 34.83 32.28 3ekf s MET 5 CO 0.28 -0.45 0.70 -2.30 1.05 0.00 0.00 175.02 174.31 3ekf n PRO 6 N 4.64 0.71 -3.66 4.11 -0.02 -1.26 -4.75 135.00 134.77 3ekf n PRO 6 Ca 0.11 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 3ekf n PRO 6 Cb 0.44 -1.86 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 3ekf n PRO 6 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3ekf s GLN 7 N -2.24 0.75 1.04 -0.52 0.74 -1.26 -1.02 119.66 117.15 3ekf s GLN 7 Ca 0.70 0.91 -0.14 0.00 0.05 0.00 0.00 55.36 56.88 3ekf s GLN 7 Cb -0.46 0.35 0.21 0.00 1.10 0.00 0.00 33.01 34.21 3ekf s GLN 7 CO 0.53 -0.09 1.10 -1.25 -0.55 0.00 0.00 175.29 175.03 3ekf s PRO 8 N 0.41 0.10 0.47 1.67 0.04 -1.26 -4.96 135.00 131.47 3ekf s PRO 8 Ca -0.01 0.35 -0.24 0.00 0.04 0.00 0.00 61.00 61.13 3ekf s PRO 8 Cb -0.05 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 3ekf s PRO 8 CO -0.00 -2.92 1.40 0.15 0.04 0.00 0.00 177.00 175.67 3ekf s LYS 9 N -5.09 3.59 0.09 4.56 -0.14 -1.26 -4.93 119.74 116.56 3ekf s LYS 9 Ca 0.67 2.34 0.04 0.00 -1.36 0.00 0.00 55.97 57.66 3ekf s LYS 9 Cb -0.16 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 3ekf s LYS 9 CO 0.57 -0.87 0.02 0.95 -0.76 0.00 0.00 175.35 175.26 3ekf s THR 10 N -1.24 4.12 -0.61 2.17 -4.23 -1.26 -4.43 115.64 110.15 3ekf s THR 10 Ca 0.63 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 3ekf s THR 10 Cb -0.42 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.66 3ekf s THR 10 CO 0.53 0.12 0.58 0.49 -0.54 0.00 0.00 174.62 175.80 3ekf n PHE 11 N 0.53 2.56 -2.44 3.99 3.01 0.37 -4.92 117.46 120.56 3ekf n PHE 11 Ca -0.10 -4.06 0.00 0.00 1.01 0.00 0.00 57.45 54.30 3ekf n PHE 11 Cb 0.52 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 3ekf n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ekf n GLY 12 N 1.56 2.98 0.19 1.37 0.00 -1.26 -2.23 105.19 107.80 3ekf n GLY 12 Ca 0.25 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3ekf n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ekf h GLU 13 N 0.00 0.00 0.00 1.61 9.09 -2.05 -2.61 114.58 120.62 3ekf h GLU 13 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3ekf h GLU 13 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3ekf h GLU 13 CO 0.00 0.00 -0.07 -0.07 0.05 0.00 0.00 179.01 178.92 3ekf h LEU 14 N 0.00 0.00 0.00 3.06 3.38 -1.87 -3.40 115.31 116.48 3ekf h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ekf h LEU 14 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3ekf h LEU 14 CO 0.00 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.89 3ekf n LYS 15 N -3.42 0.00 0.00 1.13 4.76 -0.99 -2.30 118.16 117.33 3ekf n LYS 15 Ca -0.02 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.56 3ekf n LYS 15 Cb 0.21 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 33.93 3ekf n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ekf n ASN 16 N 3.63 0.58 -0.32 4.39 5.03 -0.02 -0.48 115.26 128.07 3ekf n ASN 16 Ca 0.00 -0.56 0.10 0.00 0.87 0.00 0.00 54.58 54.98 3ekf n ASN 16 Cb 0.00 -0.03 0.27 0.00 -1.02 0.00 0.00 39.78 39.00 3ekf n ASN 16 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3ekf h LEU 17 N 0.65 0.64 -0.36 3.41 5.85 -1.53 -0.71 115.31 123.26 3ekf h LEU 17 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ekf h LEU 17 Cb 0.41 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ekf h LEU 17 CO 0.00 0.25 0.00 -2.65 -0.34 0.00 0.00 178.44 175.70 3ekf n PRO 18 N -4.83 0.04 0.00 5.25 -0.02 -1.26 -1.04 135.00 133.14 3ekf n PRO 18 Ca 0.20 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 3ekf n PRO 18 Cb 0.49 -1.62 0.44 0.00 -0.02 0.00 0.00 33.50 32.79 3ekf n PRO 18 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ekf n LEU 19 N -1.70 0.92 -2.49 2.45 4.77 -0.27 -4.11 117.00 116.56 3ekf n LEU 19 Ca -0.00 -0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.54 3ekf n LEU 19 Cb 0.02 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3ekf n LEU 19 CO 0.04 0.17 0.13 0.18 -1.33 0.00 0.00 177.39 176.58 3ekf n LEU 20 N -0.68 4.09 -4.27 2.23 4.77 -0.21 -4.96 117.00 117.96 3ekf n LEU 20 Ca 0.13 -4.90 -0.43 0.00 -0.03 0.00 0.00 56.01 50.78 3ekf n LEU 20 Cb 0.33 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3ekf n LEU 20 CO 0.25 2.10 0.60 0.21 -1.33 0.00 0.00 177.39 179.21 3ekf s ASN 21 N -3.47 6.85 -0.09 -1.43 2.47 -1.25 -4.86 114.94 113.16 3ekf s ASN 21 Ca 0.44 -3.47 -0.30 0.00 0.42 0.00 0.00 52.86 49.95 3ekf s ASN 21 Cb 0.41 -2.12 0.10 0.00 -1.45 0.00 0.00 41.25 38.19 3ekf s ASN 21 CO -0.14 -0.31 0.85 0.28 -3.72 0.00 0.00 177.10 174.07 3ekf s THR 22 N -1.03 0.00 -1.99 -5.21 -1.32 -1.26 -5.01 115.64 99.82 3ekf s THR 22 Ca 0.28 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.05 3ekf s THR 22 Cb -0.10 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.49 3ekf s THR 22 CO -0.09 0.00 1.92 0.47 -2.21 0.00 0.00 174.62 174.71 3ekf n ASP 23 N 0.63 0.65 -3.04 8.08 8.00 -1.26 -4.37 116.55 125.25 3ekf n ASP 23 Ca -0.14 -0.96 -0.26 0.00 0.71 0.00 0.00 54.79 54.14 3ekf n ASP 23 Cb 0.58 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 3ekf n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ekf n LYS 24 N -0.64 2.94 -0.28 -1.24 5.02 -1.26 -4.42 118.16 118.29 3ekf n LYS 24 Ca 0.18 -4.71 -0.06 0.00 -2.02 0.00 0.00 58.31 51.70 3ekf n LYS 24 Cb 0.26 -2.19 0.06 0.00 -0.02 0.00 0.00 35.03 33.14 3ekf n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3ekf h PRO 25 N 3.18 1.18 -0.70 1.97 0.13 -1.95 -1.73 132.00 134.08 3ekf h PRO 25 Ca 0.14 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 3ekf h PRO 25 Cb 0.56 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 3ekf h PRO 25 CO 0.79 0.97 0.34 0.28 -0.23 0.00 0.00 178.00 180.16 3ekf h VAL 26 N 1.14 1.23 -0.54 1.56 2.07 -1.98 0.15 116.25 119.88 3ekf h VAL 26 Ca 0.25 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 3ekf h VAL 26 Cb 0.26 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3ekf h VAL 26 CO -0.02 0.27 -0.07 1.56 0.02 0.00 0.00 177.57 179.33 3ekf h GLN 27 N 0.97 1.00 -0.73 1.57 4.20 -1.94 -0.21 115.11 119.97 3ekf h GLN 27 Ca 0.24 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3ekf h GLN 27 Cb 0.11 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 3ekf h GLN 27 CO -0.03 1.04 0.49 0.00 -0.67 0.00 0.00 178.83 179.65 3ekf h ALA 28 N 0.93 0.93 -0.24 3.87 0.00 -0.97 -2.71 119.26 121.08 3ekf h ALA 28 Ca 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ekf h ALA 28 Cb 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ekf h ALA 28 CO 0.04 0.34 -0.24 -0.07 0.00 0.00 0.00 179.25 179.32 3ekf h LEU 29 N 0.99 0.44 -1.06 0.00 3.38 -0.37 -2.45 115.31 116.24 3ekf h LEU 29 Ca 0.27 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3ekf h LEU 29 Cb -0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3ekf h LEU 29 CO -0.06 0.69 0.63 0.24 0.09 0.00 0.00 178.44 180.02 3ekf h MET 30 N 0.39 1.14 -0.45 1.13 2.86 -0.81 0.44 114.93 119.63 3ekf h MET 30 Ca 0.06 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3ekf h MET 30 Cb 0.64 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3ekf h MET 30 CO 0.05 0.75 0.05 0.87 1.06 0.00 0.00 176.91 179.68 3ekf h LYS 31 N 1.17 0.77 -0.55 1.72 1.57 -1.14 -0.52 116.57 119.58 3ekf h LYS 31 Ca 0.40 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ekf h LYS 31 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3ekf h LYS 31 CO -0.14 0.80 0.34 0.82 -0.57 0.00 0.00 179.45 180.70 3ekf h ILE 32 N 0.62 1.16 -0.58 1.86 2.04 -1.24 -2.23 117.51 119.15 3ekf h ILE 32 Ca 0.13 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.71 3ekf h ILE 32 Cb 0.43 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3ekf h ILE 32 CO 0.01 0.16 0.27 0.00 0.00 0.00 0.00 178.15 178.60 3ekf h ALA 33 N 1.17 0.75 -0.73 1.87 0.00 -0.75 0.96 119.26 122.54 3ekf h ALA 33 Ca 0.20 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.27 3ekf h ALA 33 Cb -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3ekf h ALA 33 CO -0.04 -0.10 0.48 -0.44 0.00 0.00 0.00 179.25 179.15 3ekf h ASP 34 N 0.50 0.50 0.04 0.00 3.32 -0.74 0.83 116.42 120.88 3ekf h ASP 34 Ca 0.27 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 3ekf h ASP 34 Cb 0.24 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.71 3ekf h ASP 34 CO -0.22 0.29 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.05 3ekf h GLU 35 N 0.54 0.23 0.00 3.56 4.81 -0.62 -3.39 114.58 119.72 3ekf h GLU 35 Ca 0.34 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ekf h GLU 35 Cb 0.60 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3ekf h GLU 35 CO -0.12 1.07 -1.34 1.28 -0.73 0.00 0.00 179.01 179.17 3ekf n LEU 36 N -4.35 0.54 0.00 1.64 4.77 0.21 -5.09 117.00 114.72 3ekf n LEU 36 Ca -0.11 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3ekf n LEU 36 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3ekf n LEU 36 CO 0.43 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3ekf n GLY 37 N 1.42 -0.78 0.20 -0.72 0.00 0.27 -4.63 105.19 100.95 3ekf n GLY 37 Ca 0.01 -1.86 0.15 0.00 0.00 0.00 0.00 46.02 44.32 3ekf n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ekf h GLU 38 N 0.00 0.00 -2.73 1.61 4.11 -1.92 -3.43 114.58 112.22 3ekf h GLU 38 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 3ekf h GLU 38 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3ekf h GLU 38 CO 0.00 0.00 -0.31 -1.50 0.07 0.00 0.00 179.01 177.27 3ekf s ILE 39 N -3.51 -0.02 -0.00 -1.06 2.07 -1.26 -0.65 121.20 116.78 3ekf s ILE 39 Ca 0.02 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 3ekf s ILE 39 Cb 0.09 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.11 3ekf s ILE 39 CO 0.46 0.03 0.06 0.72 -1.91 0.00 0.00 174.94 174.30 3ekf s PHE 40 N 1.04 0.06 0.33 3.50 -0.71 -0.71 -4.32 117.98 117.17 3ekf s PHE 40 Ca -0.07 -0.13 -0.25 0.00 -1.04 0.00 0.00 56.93 55.45 3ekf s PHE 40 Cb -0.07 -0.06 -0.10 0.00 -1.21 0.00 0.00 43.02 41.58 3ekf s PHE 40 CO -0.08 -0.16 0.92 0.21 -1.34 0.00 0.00 175.22 174.76 3ekf s LYS 41 N -0.87 4.49 -0.08 1.99 2.20 -0.19 -0.01 119.74 127.28 3ekf s LYS 41 Ca -0.10 1.25 -0.02 0.00 -0.36 0.00 0.00 55.97 56.74 3ekf s LYS 41 Cb -0.06 -2.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.59 3ekf s LYS 41 CO 0.00 0.24 0.02 0.12 -0.36 0.00 0.00 175.35 175.37 3ekf s PHE 42 N -1.70 0.53 -0.09 4.03 2.19 0.19 -4.19 117.98 118.94 3ekf s PHE 42 Ca 0.51 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.65 3ekf s PHE 42 Cb -0.17 -0.74 -0.03 0.00 -1.31 0.00 0.00 43.02 40.78 3ekf s PHE 42 CO 0.22 -0.32 -0.07 -1.21 1.83 0.00 0.00 175.22 175.66 3ekf s GLU 43 N 2.02 2.94 0.22 10.12 2.02 -1.26 -1.72 118.70 133.04 3ekf s GLU 43 Ca 0.04 -0.55 0.07 0.00 0.02 0.00 0.00 54.97 54.55 3ekf s GLU 43 Cb -0.13 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 3ekf s GLU 43 CO -0.05 0.56 -0.12 0.00 0.02 0.00 0.00 175.26 175.68 3ekf s ALA 44 N -0.54 2.07 -0.58 5.21 0.00 0.05 -0.84 121.76 127.13 3ekf s ALA 44 Ca 0.08 -1.72 -0.36 0.00 0.00 0.00 0.00 51.96 49.96 3ekf s ALA 44 Cb -0.12 0.01 -0.18 0.00 0.00 0.00 0.00 23.12 22.83 3ekf s ALA 44 CO 0.02 0.01 2.08 -2.30 0.00 0.00 0.00 175.76 175.57 3ekf n PRO 45 N -0.43 0.00 0.00 0.00 -0.02 -1.26 -0.68 135.00 132.62 3ekf n PRO 45 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3ekf n PRO 45 Cb 0.61 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3ekf n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ekf n GLY 46 N 6.52 2.63 3.06 -1.23 0.00 -1.26 -5.02 105.19 109.90 3ekf n GLY 46 Ca 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 3ekf n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ekf s ARG 47 N -0.56 0.54 -0.08 1.61 1.70 0.15 -5.15 118.95 117.16 3ekf s ARG 47 Ca 0.00 -0.83 -0.07 0.00 -0.47 0.00 0.00 55.73 54.36 3ekf s ARG 47 Cb 0.00 -0.19 0.02 0.00 -0.57 0.00 0.00 34.95 34.21 3ekf s ARG 47 CO 0.00 0.02 0.21 0.54 -1.08 0.00 0.00 175.30 174.99 3ekf s VAL 48 N -1.82 -0.01 0.20 4.99 0.11 -1.26 -0.77 120.40 121.85 3ekf s VAL 48 Ca -0.07 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 3ekf s VAL 48 Cb -0.07 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3ekf s VAL 48 CO -0.01 0.01 0.35 0.28 -3.33 0.00 0.00 175.10 172.40 3ekf s THR 49 N 0.30 0.03 -0.13 5.04 -1.32 -0.70 -4.59 115.64 114.27 3ekf s THR 49 Ca -0.02 -1.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.05 3ekf s THR 49 Cb -0.03 -2.05 0.01 0.00 -1.51 0.00 0.00 72.50 68.92 3ekf s THR 49 CO -0.01 -0.13 -0.19 -0.13 -2.21 0.00 0.00 174.62 171.94 3ekf s ARG 50 N -4.01 2.73 -0.24 7.08 0.52 -0.94 -0.64 118.95 123.45 3ekf s ARG 50 Ca 0.21 -0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 3ekf s ARG 50 Cb 0.02 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3ekf s ARG 50 CO 0.05 -0.06 0.53 0.71 0.02 0.00 0.00 175.30 176.54 3ekf s TYR 51 N 0.96 3.30 -0.11 -0.53 1.51 0.98 -0.45 117.35 123.01 3ekf s TYR 51 Ca -0.05 0.70 -0.05 0.00 -1.01 0.00 0.00 57.07 56.66 3ekf s TYR 51 Cb -0.15 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 3ekf s TYR 51 CO -0.03 -0.23 0.07 -0.51 -1.11 0.00 0.00 175.55 173.74 3ekf s LEU 52 N 2.10 3.97 0.00 -1.29 1.43 -0.37 -1.74 118.68 122.78 3ekf s LEU 52 Ca 0.23 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3ekf s LEU 52 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3ekf s LEU 52 CO 0.09 0.37 0.08 -1.20 0.23 0.00 0.00 176.35 175.92 3ekf n SER 53 N 2.24 0.16 -4.76 2.29 7.64 0.18 -1.93 113.62 119.44 3ekf n SER 53 Ca -0.19 -0.53 -0.32 0.00 1.01 0.00 0.00 58.87 58.84 3ekf n SER 53 Cb 0.54 0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 3ekf n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ekf s SER 54 N -0.21 5.49 0.39 6.43 1.04 -1.25 -3.31 113.70 122.28 3ekf s SER 54 Ca 0.00 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.58 3ekf s SER 54 Cb 0.00 -1.51 0.88 0.00 0.10 0.00 0.00 66.02 65.49 3ekf s SER 54 CO 0.00 0.24 1.94 -0.61 0.98 0.00 0.00 173.24 175.78 3ekf h GLN 55 N 3.84 0.58 -0.66 4.02 -0.00 -1.87 -1.84 115.11 119.18 3ekf h GLN 55 Ca -0.48 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.05 3ekf h GLN 55 Cb 1.17 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.50 3ekf h GLN 55 CO 0.62 0.38 0.08 0.07 0.00 0.00 0.00 178.83 179.99 3ekf h ARG 56 N 0.60 1.11 0.03 1.69 0.11 -1.94 -0.96 114.38 115.01 3ekf h ARG 56 Ca 0.34 -0.31 -0.22 0.00 0.10 0.00 0.00 59.98 59.90 3ekf h ARG 56 Cb 0.53 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 3ekf h ARG 56 CO -0.12 1.03 -0.99 -0.07 0.10 0.00 0.00 179.97 179.92 3ekf h LEU 57 N 1.03 0.19 -0.14 0.08 3.38 -1.89 -3.27 115.31 114.69 3ekf h LEU 57 Ca 0.20 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 3ekf h LEU 57 Cb 0.48 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ekf h LEU 57 CO 0.02 1.06 -0.98 0.40 0.09 0.00 0.00 178.44 179.03 3ekf h ILE 58 N 0.06 1.41 -0.99 1.22 2.04 -1.25 -1.25 117.51 118.75 3ekf h ILE 58 Ca -0.05 -2.51 0.10 0.00 1.00 0.00 0.00 64.86 63.40 3ekf h ILE 58 Cb 1.68 2.48 -0.08 0.00 -0.74 0.00 0.00 36.82 40.16 3ekf h ILE 58 CO 0.15 0.75 0.63 0.07 0.00 0.00 0.00 178.15 179.74 3ekf h LYS 59 N 0.22 1.01 -0.15 2.37 -0.00 -1.28 0.23 116.57 118.96 3ekf h LYS 59 Ca -0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.65 60.48 3ekf h LYS 59 Cb 1.63 -0.23 -0.01 0.00 -0.00 0.00 0.00 32.23 33.62 3ekf h LYS 59 CO 0.17 0.67 0.00 0.93 -0.00 0.00 0.00 179.45 181.22 3ekf h GLU 60 N 1.04 0.27 -0.08 0.07 5.08 -1.56 -2.94 114.58 116.45 3ekf h GLU 60 Ca 0.46 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 3ekf h GLU 60 Cb 0.37 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ekf h GLU 60 CO -0.22 0.49 0.07 0.00 -1.00 0.00 0.00 179.01 178.34 3ekf h ALA 61 N 0.77 1.98 0.00 3.43 0.00 -0.76 -1.39 119.26 123.30 3ekf h ALA 61 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ekf h ALA 61 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ekf h ALA 61 CO 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3ekf s ASP 63 N -1.52 6.18 0.35 0.00 -1.08 -0.52 -4.87 116.67 115.21 3ekf s ASP 63 Ca 0.24 -0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.27 3ekf s ASP 63 Cb 0.11 -2.56 1.21 0.00 -1.46 0.00 0.00 42.92 40.23 3ekf s ASP 63 CO 0.18 -1.78 1.78 -0.33 0.52 0.00 0.00 175.17 175.55 3ekf h GLU 64 N 10.20 0.00 0.00 4.34 5.08 -1.84 -1.10 114.58 131.26 3ekf h GLU 64 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3ekf h GLU 64 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3ekf h GLU 64 CO 1.25 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.92 3ekf h SER 65 N 0.00 0.00 0.00 1.42 4.64 -1.97 -3.36 113.55 114.28 3ekf h SER 65 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3ekf h SER 65 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3ekf h SER 65 CO 0.00 0.00 -1.37 0.54 -0.87 0.00 0.00 176.83 175.13 3ekf n ARG 66 N -2.92 2.84 -4.32 4.77 1.74 -0.58 -4.93 116.66 113.25 3ekf n ARG 66 Ca 0.02 -0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 3ekf n ARG 66 Cb 0.39 -1.14 -0.15 0.00 -1.02 0.00 0.00 32.46 30.54 3ekf n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ekf s PHE 67 N -2.16 0.77 0.41 -1.55 0.08 -0.52 -0.60 117.98 114.40 3ekf s PHE 67 Ca -0.03 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 56.93 3ekf s PHE 67 Cb 0.02 -0.52 -0.08 0.00 -0.57 0.00 0.00 43.02 41.87 3ekf s PHE 67 CO 0.23 -0.04 0.01 0.34 -0.10 0.00 0.00 175.22 175.66 3ekf s ASP 68 N -0.03 3.75 0.12 1.36 2.15 -0.75 -4.13 116.67 119.13 3ekf s ASP 68 Ca 0.01 -1.38 -0.31 0.00 0.43 0.00 0.00 52.55 51.29 3ekf s ASP 68 Cb -0.05 -0.33 -0.09 0.00 -0.30 0.00 0.00 42.92 42.15 3ekf s ASP 68 CO -0.00 -0.48 1.64 -0.75 -0.17 0.00 0.00 175.17 175.40 3ekf s LYS 69 N -3.73 4.19 0.02 4.34 2.20 -1.26 -0.83 119.74 124.67 3ekf s LYS 69 Ca 0.34 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 3ekf s LYS 69 Cb 0.09 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 3ekf s LYS 69 CO 0.17 -0.69 0.12 1.21 -0.36 0.00 0.00 175.35 175.80 3ekf s ASN 70 N 1.84 5.87 -0.42 1.43 2.47 -0.04 -4.67 114.94 121.43 3ekf s ASN 70 Ca 0.73 0.17 -0.21 0.00 0.42 0.00 0.00 52.86 53.96 3ekf s ASN 70 Cb -0.43 -1.71 0.02 0.00 -1.45 0.00 0.00 41.25 37.68 3ekf s ASN 70 CO 0.32 0.23 0.68 -0.76 -3.72 0.00 0.00 177.10 173.86 3ekf s LEU 71 N -2.03 4.36 1.13 3.21 1.43 -1.26 -4.38 118.68 121.13 3ekf s LEU 71 Ca 0.27 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 3ekf s LEU 71 Cb -0.12 -2.81 0.25 0.00 0.03 0.00 0.00 46.19 43.54 3ekf s LEU 71 CO 0.19 -0.76 1.07 -0.94 0.23 0.00 0.00 176.35 176.13 3ekf s SER 72 N 1.97 1.46 0.24 2.29 1.04 -1.26 -4.64 113.70 114.80 3ekf s SER 72 Ca 0.25 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.69 3ekf s SER 72 Cb -0.14 -1.61 0.41 0.00 0.10 0.00 0.00 66.02 64.79 3ekf s SER 72 CO 0.19 -3.84 1.80 1.56 0.98 0.00 0.00 173.24 173.93 3ekf h GLN 73 N -2.38 0.73 -0.55 4.02 1.08 -1.99 -1.18 115.11 114.85 3ekf h GLN 73 Ca -0.53 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 56.65 3ekf h GLN 73 Cb 1.33 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.55 3ekf h GLN 73 CO 0.48 0.48 0.32 0.00 -0.95 0.00 0.00 178.83 179.16 3ekf h ALA 74 N 1.47 0.70 -0.03 3.87 0.00 -1.91 -2.63 119.26 120.73 3ekf h ALA 74 Ca 0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 3ekf h ALA 74 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ekf h ALA 74 CO -0.26 0.03 -0.49 -0.07 0.00 0.00 0.00 179.25 178.46 3ekf h LEU 75 N 0.64 0.08 -1.45 0.00 3.38 -1.68 -2.11 115.31 114.18 3ekf h LEU 75 Ca 0.22 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3ekf h LEU 75 Cb 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3ekf h LEU 75 CO -0.10 0.56 0.06 0.11 0.09 0.00 0.00 178.44 179.16 3ekf h LYS 76 N 0.06 0.43 -0.15 1.13 1.57 -0.90 -0.85 116.57 117.87 3ekf h LYS 76 Ca 0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3ekf h LYS 76 Cb 0.89 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3ekf h LYS 76 CO 0.07 0.41 -0.27 0.74 -0.57 0.00 0.00 179.45 179.82 3ekf h PHE 77 N 0.42 0.56 -0.29 -1.35 0.04 -1.17 -3.11 116.94 112.04 3ekf h PHE 77 Ca 0.10 -0.20 0.08 0.00 2.80 0.00 0.00 57.97 60.76 3ekf h PHE 77 Cb 0.18 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3ekf h PHE 77 CO 0.01 0.90 0.22 0.28 -0.60 0.00 0.00 178.31 179.12 3ekf h VAL 78 N 0.06 0.75 0.00 -0.55 2.07 -1.13 -0.79 116.25 116.66 3ekf h VAL 78 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3ekf h VAL 78 Cb 0.86 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3ekf h VAL 78 CO 0.06 0.00 -0.23 -0.09 0.02 0.00 0.00 177.57 177.33 3ekf h ARG 79 N 0.00 0.00 -0.87 1.57 2.43 -1.08 0.84 114.38 117.27 3ekf h ARG 79 Ca 0.14 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.48 3ekf h ARG 79 Cb 0.58 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 3ekf h ARG 79 CO -0.00 0.23 0.57 -0.44 -1.51 0.00 0.00 179.97 178.82 3ekf h ASP 80 N 0.00 0.49 0.00 -3.80 3.32 -1.18 0.35 116.42 115.61 3ekf h ASP 80 Ca -0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ekf h ASP 80 Cb 0.56 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3ekf h ASP 80 CO 0.03 0.23 -1.22 2.22 -1.72 0.00 0.00 179.24 178.78 3ekf n PHE 81 N -4.53 0.00 1.01 4.55 1.16 -0.46 -4.66 117.46 114.53 3ekf n PHE 81 Ca 0.18 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.86 3ekf n PHE 81 Cb 0.58 -0.11 -0.04 0.00 -1.61 0.00 0.00 39.48 38.30 3ekf n PHE 81 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ekf n ALA 82 N -1.67 4.24 -0.65 1.98 0.00 0.28 -4.87 120.51 119.81 3ekf n ALA 82 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3ekf n ALA 82 Cb 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3ekf n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ekf n GLY 83 N 1.47 2.96 2.39 0.00 0.00 0.11 -1.36 105.19 110.77 3ekf n GLY 83 Ca 0.06 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3ekf n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ekf n ASP 84 N 2.39 7.65 -4.66 1.61 5.75 -1.26 -4.19 116.55 123.84 3ekf n ASP 84 Ca 0.00 -3.77 -0.29 0.00 -0.01 0.00 0.00 54.79 50.72 3ekf n ASP 84 Cb 0.00 -1.00 0.18 0.00 -1.03 0.00 0.00 41.12 39.27 3ekf n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ekf s GLY 85 N -1.66 1.57 0.31 6.12 0.00 -0.46 -4.61 107.32 108.59 3ekf s GLY 85 Ca 0.62 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 45.15 3ekf s GLY 85 CO -0.06 0.32 1.67 1.41 0.00 0.00 0.00 173.10 176.44 3ekf h LEU 86 N -1.92 0.35 0.09 0.66 3.38 -1.89 -1.78 115.31 114.20 3ekf h LEU 86 Ca -0.54 0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.34 3ekf h LEU 86 Cb 1.32 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3ekf h LEU 86 CO 0.56 -0.08 -1.19 0.15 0.09 0.00 0.00 178.44 177.97 3ekf h PHE 87 N 0.34 0.44 -0.27 1.13 3.04 -1.92 -3.33 116.94 116.36 3ekf h PHE 87 Ca 0.64 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 62.27 3ekf h PHE 87 Cb 1.33 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.82 3ekf h PHE 87 CO -0.11 1.24 0.00 0.25 -2.02 0.00 0.00 178.31 177.67 3ekf n THR 88 N -3.52 1.78 -3.54 4.41 -2.24 -1.04 -4.98 114.28 105.14 3ekf n THR 88 Ca -0.07 -1.56 -0.31 0.00 -2.27 0.00 0.00 64.05 59.84 3ekf n THR 88 Cb 1.00 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 3ekf n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ekf s SER 89 N -1.61 6.54 0.42 3.42 1.04 -0.70 -4.64 113.70 118.18 3ekf s SER 89 Ca 0.34 0.73 -0.23 0.00 0.48 0.00 0.00 55.95 57.27 3ekf s SER 89 Cb 0.25 -2.15 -0.09 0.00 0.10 0.00 0.00 66.02 64.13 3ekf s SER 89 CO 0.11 -0.02 1.04 0.26 0.98 0.00 0.00 173.24 175.60 3ekf s TRP 90 N -1.77 3.20 0.35 5.02 0.52 -1.26 -4.97 118.94 120.05 3ekf s TRP 90 Ca 0.44 1.63 0.06 0.00 0.02 0.00 0.00 56.10 58.24 3ekf s TRP 90 Cb -0.12 -3.08 0.73 0.00 -1.15 0.00 0.00 33.47 29.85 3ekf s TRP 90 CO 0.24 -0.62 1.94 1.15 0.02 0.00 0.00 176.95 179.67 3ekf h THR 91 N 2.00 1.00 -0.00 2.01 2.02 -1.98 -1.53 112.91 116.43 3ekf h THR 91 Ca -0.49 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3ekf h THR 91 Cb 1.21 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ekf h THR 91 CO 0.61 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.65 3ekf n HIS 92 N -4.49 0.00 -2.73 3.16 -0.00 -1.26 -4.59 115.22 105.31 3ekf n HIS 92 Ca 0.12 -0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.43 3ekf n HIS 92 Cb 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.20 3ekf n HIS 92 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3ekf s GLU 93 N -2.00 4.69 0.24 -1.40 2.02 -0.58 -4.98 118.70 116.70 3ekf s GLU 93 Ca 0.43 1.45 -0.05 0.00 0.02 0.00 0.00 54.97 56.82 3ekf s GLU 93 Cb 0.20 -3.38 0.42 0.00 0.10 0.00 0.00 34.13 31.47 3ekf s GLU 93 CO 0.33 0.20 1.76 1.57 0.02 0.00 0.00 175.26 179.14 3ekf h LYS 94 N 5.64 0.53 0.00 1.61 5.09 -1.87 -1.57 116.57 126.01 3ekf h LYS 94 Ca -0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.27 3ekf h LYS 94 Cb 1.21 -0.12 -0.00 0.00 0.10 0.00 0.00 32.23 33.42 3ekf h LYS 94 CO 0.72 0.35 -0.04 -0.91 -2.09 0.00 0.00 179.45 177.48 3ekf h ASN 95 N 0.55 0.00 0.40 7.07 2.35 -1.93 -2.88 115.58 121.13 3ekf h ASN 95 Ca 0.40 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.13 3ekf h ASN 95 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3ekf h ASN 95 CO -0.34 0.04 -0.19 -0.25 -1.65 0.00 0.00 177.43 175.04 3ekf h TRP 96 N 0.00 -0.50 -0.69 1.19 7.01 -1.54 -0.11 115.95 121.32 3ekf h TRP 96 Ca -0.00 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 3ekf h TRP 96 Cb 0.24 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.44 3ekf h TRP 96 CO 0.00 -0.31 0.17 -0.22 -2.79 0.00 0.00 178.44 175.28 3ekf h LYS 97 N -0.55 1.10 -0.00 2.65 1.63 -1.70 -0.59 116.57 119.11 3ekf h LYS 97 Ca -0.06 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.50 3ekf h LYS 97 Cb 0.41 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3ekf h LYS 97 CO 0.09 0.97 -0.35 -0.22 -3.45 0.00 0.00 179.45 176.49 3ekf h LYS 98 N 1.04 -0.42 -0.31 1.90 3.64 -1.57 0.76 116.57 121.61 3ekf h LYS 98 Ca 0.22 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3ekf h LYS 98 Cb 0.37 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3ekf h LYS 98 CO 0.00 -0.28 0.08 0.00 -2.27 0.00 0.00 179.45 176.98 3ekf h ALA 99 N -0.79 1.55 0.09 5.00 0.00 -0.79 -0.89 119.26 123.42 3ekf h ALA 99 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ekf h ALA 99 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ekf h ALA 99 CO -0.24 0.34 -0.11 1.25 0.00 0.00 0.00 179.25 180.49 3ekf h HIS 100 N 0.45 -0.29 -0.61 0.00 -0.00 -0.76 0.16 115.15 114.10 3ekf h HIS 100 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 3ekf h HIS 100 Cb 0.17 0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 3ekf h HIS 100 CO 0.01 -0.17 0.29 -0.91 -0.00 0.00 0.00 177.93 177.14 3ekf h ASN 101 N -0.24 0.81 -0.55 3.26 2.35 -0.58 -0.98 115.58 119.64 3ekf h ASN 101 Ca 0.01 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3ekf h ASN 101 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3ekf h ASN 101 CO -0.05 0.72 0.05 0.40 -1.65 0.00 0.00 177.43 176.90 3ekf h ILE 102 N 0.84 1.26 0.00 2.81 2.04 -0.91 -3.34 117.51 120.20 3ekf h ILE 102 Ca 0.21 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3ekf h ILE 102 Cb 0.13 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3ekf h ILE 102 CO -0.02 0.38 -1.86 0.18 0.00 0.00 0.00 178.15 176.83 3ekf n LEU 103 N -4.21 0.14 -0.35 1.44 4.77 0.55 -4.38 117.00 114.96 3ekf n LEU 103 Ca 0.03 0.05 0.15 0.00 -0.03 0.00 0.00 56.01 56.22 3ekf n LEU 103 Cb 0.30 0.01 0.35 0.00 -2.33 0.00 0.00 43.42 41.76 3ekf n LEU 103 CO 0.43 -0.00 1.18 0.25 -1.33 0.00 0.00 177.39 177.91 3ekf h LEU 104 N 0.00 0.74 -2.54 2.23 5.85 -1.30 -1.13 115.31 119.15 3ekf h LEU 104 Ca -0.03 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ekf h LEU 104 Cb 1.06 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3ekf h LEU 104 CO 0.00 0.20 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.64 3ekf h PRO 105 N 0.69 0.00 0.00 5.25 0.11 -1.80 -1.36 132.00 134.89 3ekf h PRO 105 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3ekf h PRO 105 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ekf h PRO 105 CO -0.42 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 177.81 3ekf n SER 106 N -3.48 0.00 -0.13 -2.05 7.64 -0.43 -2.30 113.62 112.88 3ekf n SER 106 Ca -0.03 0.40 0.09 0.00 1.01 0.00 0.00 58.87 60.34 3ekf n SER 106 Cb 0.11 -0.44 0.14 0.00 -1.01 0.00 0.00 64.21 63.01 3ekf n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ekf n PHE 107 N -1.44 0.00 -2.46 1.43 3.01 -0.51 -4.67 117.46 112.83 3ekf n PHE 107 Ca 0.03 -0.99 -0.34 0.00 1.01 0.00 0.00 57.45 57.16 3ekf n PHE 107 Cb 0.10 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.39 3ekf n PHE 107 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3ekf s SER 108 N -2.82 6.24 -0.05 4.37 1.04 -0.97 -4.84 113.70 116.67 3ekf s SER 108 Ca 0.31 1.92 -0.30 0.00 0.48 0.00 0.00 55.95 58.37 3ekf s SER 108 Cb 0.27 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 3ekf s SER 108 CO 0.02 -0.86 1.65 -1.10 0.98 0.00 0.00 173.24 173.94 3ekf s GLN 109 N -3.36 4.18 0.00 4.02 -1.52 -1.26 -0.73 119.66 120.99 3ekf s GLN 109 Ca 0.67 2.19 0.00 0.00 -1.95 0.00 0.00 55.36 56.27 3ekf s GLN 109 Cb -0.17 -3.98 0.00 0.00 -0.22 0.00 0.00 33.01 28.64 3ekf s GLN 109 CO 0.23 -0.84 0.00 1.04 -0.25 0.00 0.00 175.29 175.46 3ekf n GLN 110 N 7.11 0.00 -0.31 2.91 3.00 -1.26 -4.71 117.38 124.11 3ekf n GLN 110 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 3ekf n GLN 110 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.77 3ekf n GLN 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ekf h ALA 111 N 0.00 1.16 -0.67 -1.58 0.00 -1.69 -1.44 119.26 115.04 3ekf h ALA 111 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3ekf h ALA 111 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3ekf h ALA 111 CO 0.00 0.65 0.24 0.52 0.00 0.00 0.00 179.25 180.66 3ekf h MET 112 N 1.21 1.02 -0.26 0.00 2.07 -1.20 -1.22 114.93 116.56 3ekf h MET 112 Ca 0.30 -0.20 -0.05 0.00 -2.07 0.00 0.00 59.70 57.67 3ekf h MET 112 Cb 0.07 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 29.63 3ekf h MET 112 CO -0.04 0.87 -0.07 0.87 1.07 0.00 0.00 176.91 179.61 3ekf h LYS 113 N 0.97 0.41 0.00 1.72 6.56 -1.81 -2.42 116.57 122.00 3ekf h LYS 113 Ca 0.22 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3ekf h LYS 113 Cb 0.25 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 3ekf h LYS 113 CO -0.01 0.49 0.00 0.78 -2.06 0.00 0.00 179.45 178.65 3ekf h GLY 114 N 0.81 0.00 1.19 3.86 0.00 -0.36 -3.07 103.07 105.50 3ekf h GLY 114 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3ekf h GLY 114 CO 0.02 0.00 -0.94 -0.97 0.00 0.00 0.00 176.54 174.65 3ekf h TYR 115 N 0.00 0.00 -0.28 5.60 0.05 -0.75 -3.42 116.97 118.17 3ekf h TYR 115 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3ekf h TYR 115 Cb 0.59 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 3ekf h TYR 115 CO 0.00 0.18 -0.02 1.25 -1.05 0.00 0.00 178.16 178.52 3ekf h HIS 116 N 0.00 -0.05 -0.60 4.88 2.76 -1.42 -1.42 115.15 119.29 3ekf h HIS 116 Ca -0.04 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.22 3ekf h HIS 116 Cb 1.17 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 30.14 3ekf h HIS 116 CO 0.00 -0.07 0.28 0.00 -1.30 0.00 0.00 177.93 176.84 3ekf h ALA 117 N 1.25 0.79 -0.41 5.26 0.00 -1.81 0.17 119.26 124.51 3ekf h ALA 117 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3ekf h ALA 117 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ekf h ALA 117 CO -0.24 -0.10 -0.11 0.52 0.00 0.00 0.00 179.25 179.32 3ekf h MET 118 N 0.51 0.72 -0.31 0.00 2.07 -1.76 -1.48 114.93 114.69 3ekf h MET 118 Ca 0.29 -0.23 0.01 0.00 -2.07 0.00 0.00 59.70 57.70 3ekf h MET 118 Cb 0.27 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.92 3ekf h MET 118 CO -0.23 0.80 0.18 0.52 1.07 0.00 0.00 176.91 179.25 3ekf h MET 119 N 0.66 0.35 -0.62 1.72 2.86 -0.23 -2.54 114.93 117.12 3ekf h MET 119 Ca 0.11 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3ekf h MET 119 Cb 0.56 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3ekf h MET 119 CO 0.03 0.23 0.41 0.28 1.06 0.00 0.00 176.91 178.92 3ekf h VAL 120 N 0.36 1.12 0.27 -2.22 2.07 -0.42 -1.03 116.25 116.40 3ekf h VAL 120 Ca 0.12 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3ekf h VAL 120 Cb 0.01 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3ekf h VAL 120 CO -0.06 0.14 -0.29 -0.78 0.02 0.00 0.00 177.57 176.60 3ekf h ASP 121 N 0.78 -0.79 -0.72 0.57 1.82 -0.86 0.26 116.42 117.47 3ekf h ASP 121 Ca 0.24 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.89 3ekf h ASP 121 Cb -0.00 0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 3ekf h ASP 121 CO -0.06 -0.42 0.22 0.40 -1.61 0.00 0.00 179.24 177.77 3ekf h ILE 122 N -0.61 1.26 -0.49 2.25 1.08 -1.27 -2.67 117.51 117.07 3ekf h ILE 122 Ca -0.01 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 3ekf h ILE 122 Cb 0.56 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 3ekf h ILE 122 CO -0.07 0.36 0.27 0.00 -0.69 0.00 0.00 178.15 178.01 3ekf h ALA 123 N 1.15 0.62 -0.90 1.87 0.00 -0.87 -1.27 119.26 119.87 3ekf h ALA 123 Ca 0.23 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ekf h ALA 123 Cb 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3ekf h ALA 123 CO -0.01 0.14 0.56 0.28 0.00 0.00 0.00 179.25 180.23 3ekf h VAL 124 N 0.64 1.06 -0.87 0.00 2.07 -0.87 -0.86 116.25 117.41 3ekf h VAL 124 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3ekf h VAL 124 Cb 0.05 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.71 3ekf h VAL 124 CO -0.03 0.19 0.58 1.56 0.02 0.00 0.00 177.57 179.89 3ekf h GLN 125 N 1.03 1.13 0.24 1.57 4.20 -1.07 0.13 115.11 122.34 3ekf h GLN 125 Ca 0.39 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 3ekf h GLN 125 Cb 0.16 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3ekf h GLN 125 CO -0.17 0.75 -0.13 1.25 -0.67 0.00 0.00 178.83 179.86 3ekf h LEU 126 N 1.17 -0.30 -0.79 1.46 5.85 -0.47 -1.74 115.31 120.49 3ekf h LEU 126 Ca 0.33 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 3ekf h LEU 126 Cb -0.11 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3ekf h LEU 126 CO -0.08 -0.21 0.42 0.58 -0.34 0.00 0.00 178.44 178.81 3ekf h VAL 127 N -0.34 1.24 -0.49 1.05 2.07 -0.83 -2.09 116.25 116.85 3ekf h VAL 127 Ca -0.03 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3ekf h VAL 127 Cb 0.27 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3ekf h VAL 127 CO 0.05 0.27 0.06 1.56 0.02 0.00 0.00 177.57 179.52 3ekf h GLN 128 N 1.09 0.78 -0.01 1.57 4.20 -0.72 -0.12 115.11 121.92 3ekf h GLN 128 Ca 0.28 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3ekf h GLN 128 Cb 0.05 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3ekf h GLN 128 CO -0.04 0.75 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.63 3ekf h LYS 129 N 0.74 -0.03 -0.21 1.46 3.64 -0.66 -2.13 116.57 119.39 3ekf h LYS 129 Ca 0.15 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3ekf h LYS 129 Cb 0.37 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3ekf h LYS 129 CO 0.01 -0.02 -0.33 -1.49 -2.27 0.00 0.00 179.45 175.35 3ekf h TRP 130 N -0.03 0.50 -0.46 1.91 6.55 -1.09 -2.02 115.95 121.31 3ekf h TRP 130 Ca 0.01 -0.12 0.03 0.00 0.95 0.00 0.00 58.89 59.76 3ekf h TRP 130 Cb 0.05 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.21 3ekf h TRP 130 CO -0.10 0.71 0.31 0.93 -1.05 0.00 0.00 178.44 179.24 3ekf h GLU 131 N 0.37 0.52 -0.02 0.49 4.39 -0.88 -3.02 114.58 116.43 3ekf h GLU 131 Ca 0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3ekf h GLU 131 Cb 0.76 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3ekf h GLU 131 CO 0.06 0.34 0.00 0.54 -1.16 0.00 0.00 179.01 178.79 3ekf n ARG 132 N -4.47 1.64 -2.32 2.33 1.74 -0.78 -4.90 116.66 109.90 3ekf n ARG 132 Ca 0.05 -0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 55.83 3ekf n ARG 132 Cb 0.13 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 3ekf n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ekf s LEU 133 N -1.98 4.12 0.69 0.55 1.43 -1.10 -5.04 118.68 117.34 3ekf s LEU 133 Ca 0.38 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 3ekf s LEU 133 Cb 0.21 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.30 3ekf s LEU 133 CO 0.33 -0.73 1.08 0.20 0.23 0.00 0.00 176.35 177.46 3ekf s ASN 134 N -1.29 5.62 0.32 2.29 0.01 -1.26 -4.96 114.94 115.67 3ekf s ASN 134 Ca 0.60 1.19 0.07 0.00 -0.71 0.00 0.00 52.86 54.00 3ekf s ASN 134 Cb -0.28 -2.04 0.75 0.00 0.41 0.00 0.00 41.25 40.08 3ekf s ASN 134 CO 0.35 -1.23 1.81 0.00 -1.51 0.00 0.00 177.10 176.52 3ekf h ALA 135 N -0.57 1.72 0.00 0.60 0.00 -2.00 -0.83 119.26 118.18 3ekf h ALA 135 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ekf h ALA 135 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ekf h ALA 135 CO 0.63 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 3ekf n ASP 136 N -4.67 0.00 -4.81 0.00 5.75 -1.26 -4.89 116.55 106.67 3ekf n ASP 136 Ca 0.21 -1.04 -0.22 0.00 -0.01 0.00 0.00 54.79 53.73 3ekf n ASP 136 Cb 0.52 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.57 3ekf n ASP 136 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ekf s GLU 137 N -2.00 2.87 0.30 0.11 2.02 -0.32 -5.13 118.70 116.56 3ekf s GLU 137 Ca 0.20 -1.09 0.03 0.00 0.02 0.00 0.00 54.97 54.13 3ekf s GLU 137 Cb 0.09 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 3ekf s GLU 137 CO 0.16 0.39 0.12 -3.38 0.02 0.00 0.00 175.26 172.57 3ekf s HIS 138 N -2.15 1.66 -0.13 1.61 -3.43 -1.26 -4.83 115.29 106.75 3ekf s HIS 138 Ca 0.33 -1.23 -0.03 0.00 -0.80 0.00 0.00 55.06 53.33 3ekf s HIS 138 Cb -0.08 -0.98 -0.03 0.00 -1.43 0.00 0.00 32.58 30.06 3ekf s HIS 138 CO 0.25 -0.34 -0.01 0.42 -2.00 0.00 0.00 174.74 173.05 3ekf s ILE 139 N -3.56 4.14 -0.59 -5.38 1.01 0.88 -4.98 121.20 112.73 3ekf s ILE 139 Ca 0.35 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 3ekf s ILE 139 Cb 0.06 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.81 3ekf s ILE 139 CO 0.15 0.53 0.82 -1.61 0.00 0.00 0.00 174.94 174.83 3ekf s GLU 140 N -0.11 3.13 0.02 2.79 2.02 -1.26 -2.39 118.70 122.90 3ekf s GLU 140 Ca 0.04 -0.87 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 3ekf s GLU 140 Cb -0.13 -4.18 -0.15 0.00 0.10 0.00 0.00 34.13 29.77 3ekf s GLU 140 CO 0.02 -1.55 1.16 0.28 0.02 0.00 0.00 175.26 175.18 3ekf h VAL 141 N 5.94 0.00 -0.74 2.63 2.07 -1.65 -1.07 116.25 123.43 3ekf h VAL 141 Ca -0.28 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3ekf h VAL 141 Cb 1.08 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3ekf h VAL 141 CO 1.10 0.00 0.49 -0.65 0.02 0.00 0.00 177.57 178.52 3ekf h PRO 142 N -1.25 0.82 -0.48 1.57 0.11 -1.87 -0.04 132.00 130.87 3ekf h PRO 142 Ca -0.10 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3ekf h PRO 142 Cb 0.76 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 3ekf h PRO 142 CO 0.17 0.54 0.30 0.93 -0.21 0.00 0.00 178.00 179.73 3ekf h GLU 143 N 0.84 0.63 0.00 1.05 3.07 -1.88 -1.18 114.58 117.11 3ekf h GLU 143 Ca 0.31 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 3ekf h GLU 143 Cb 0.15 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3ekf h GLU 143 CO -0.10 0.44 -0.66 -0.44 -1.40 0.00 0.00 179.01 176.85 3ekf h ASP 144 N 0.64 0.00 0.09 1.42 3.32 -0.58 -2.55 116.42 118.75 3ekf h ASP 144 Ca 0.17 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 3ekf h ASP 144 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3ekf h ASP 144 CO -0.04 0.66 -0.59 0.24 -1.72 0.00 0.00 179.24 177.80 3ekf h MET 145 N 0.00 0.51 -0.59 3.56 2.86 -0.83 -1.97 114.93 118.47 3ekf h MET 145 Ca -0.01 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 3ekf h MET 145 Cb 1.21 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 3ekf h MET 145 CO 0.09 0.96 0.04 1.15 1.06 0.00 0.00 176.91 180.20 3ekf h THR 146 N 0.39 1.26 -0.46 2.22 2.02 -1.22 0.44 112.91 117.55 3ekf h THR 146 Ca -0.00 -1.06 0.05 0.00 0.77 0.00 0.00 66.41 66.17 3ekf h THR 146 Cb 1.14 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3ekf h THR 146 CO 0.11 0.39 0.19 0.03 0.37 0.00 0.00 175.52 176.60 3ekf h ARG 147 N 0.92 0.36 -0.07 6.66 3.08 -1.23 -1.39 114.38 122.72 3ekf h ARG 147 Ca 0.18 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3ekf h ARG 147 Cb 0.48 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3ekf h ARG 147 CO 0.02 0.24 -0.03 1.25 -1.07 0.00 0.00 179.97 180.38 3ekf h LEU 148 N 0.37 0.14 -0.58 3.04 6.46 -1.11 -2.82 115.31 120.81 3ekf h LEU 148 Ca 0.21 -0.40 -0.15 0.00 -0.12 0.00 0.00 57.88 57.42 3ekf h LEU 148 Cb 0.18 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3ekf h LEU 148 CO -0.19 0.51 -0.49 0.71 -0.62 0.00 0.00 178.44 178.36 3ekf h THR 149 N -0.23 1.31 -0.33 1.05 1.35 -0.89 -0.50 112.91 114.67 3ekf h THR 149 Ca 0.02 -1.71 -0.02 0.00 -0.55 0.00 0.00 66.41 64.15 3ekf h THR 149 Cb 0.46 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3ekf h THR 149 CO 0.01 0.53 0.13 0.25 -0.25 0.00 0.00 175.52 176.19 3ekf h LEU 150 N 0.44 0.47 -0.96 3.87 5.85 -1.34 -2.27 115.31 121.36 3ekf h LEU 150 Ca 0.02 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3ekf h LEU 150 Cb 1.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3ekf h LEU 150 CO 0.09 0.51 -0.15 0.44 -0.34 0.00 0.00 178.44 178.99 3ekf h ASP 151 N 0.39 0.57 -0.12 1.25 5.19 -1.35 -1.39 116.42 120.96 3ekf h ASP 151 Ca 0.11 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 3ekf h ASP 151 Cb 0.19 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3ekf h ASP 151 CO -0.01 0.75 0.04 0.74 -3.12 0.00 0.00 179.24 177.63 3ekf h THR 152 N 0.53 1.18 -0.31 0.35 2.02 -0.93 -1.50 112.91 114.24 3ekf h THR 152 Ca 0.09 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 3ekf h THR 152 Cb 0.57 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3ekf h THR 152 CO 0.04 0.17 -0.22 -0.29 0.37 0.00 0.00 175.52 175.59 3ekf h ILE 153 N 0.01 1.26 -0.20 3.11 6.09 -1.30 -0.45 117.51 126.03 3ekf h ILE 153 Ca 0.04 -1.25 0.03 0.00 -1.37 0.00 0.00 64.86 62.31 3ekf h ILE 153 Cb 0.23 1.26 -0.03 0.00 0.47 0.00 0.00 36.82 38.75 3ekf h ILE 153 CO -0.00 0.41 -0.00 1.23 -3.07 0.00 0.00 178.15 176.72 3ekf h GLY 154 N 1.00 0.19 0.06 8.18 0.00 -1.17 -0.02 103.07 111.31 3ekf h GLY 154 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3ekf h GLY 154 CO 0.05 -0.04 -0.00 -2.00 0.00 0.00 0.00 176.54 174.55 3ekf h LEU 155 N 0.06 -0.00 -0.60 3.11 5.85 -0.97 -0.93 115.31 121.83 3ekf h LEU 155 Ca 0.09 -0.92 -0.08 0.00 0.84 0.00 0.00 57.88 57.81 3ekf h LEU 155 Cb 0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3ekf h LEU 155 CO -0.16 0.93 0.05 0.00 -0.34 0.00 0.00 178.44 178.92 3ekf h GLY 157 N 0.93 0.17 0.00 0.00 0.00 -1.12 -3.40 103.07 99.65 3ekf h GLY 157 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3ekf h GLY 157 CO 0.02 0.39 0.00 0.69 0.00 0.00 0.00 176.54 177.64 3ekf n PHE 158 N -3.35 0.00 -4.22 5.60 3.72 -0.66 -1.57 117.46 116.98 3ekf n PHE 158 Ca -0.13 -0.03 -0.34 0.00 -0.05 0.00 0.00 57.45 56.90 3ekf n PHE 158 Cb 1.02 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.51 3ekf n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ekf n ASN 159 N -0.03 -1.57 -4.21 4.37 5.15 -0.68 -4.93 115.26 113.37 3ekf n ASN 159 Ca 0.00 -1.09 -0.30 0.00 -0.60 0.00 0.00 54.58 52.58 3ekf n ASN 159 Cb 0.31 -2.45 -0.17 0.00 -0.53 0.00 0.00 39.78 36.94 3ekf n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3ekf s TYR 160 N -3.65 2.31 -0.43 1.20 5.04 -0.44 -4.94 117.35 116.45 3ekf s TYR 160 Ca 0.44 -0.83 -0.15 0.00 -2.44 0.00 0.00 57.07 54.09 3ekf s TYR 160 Cb -0.24 -1.55 0.04 0.00 0.35 0.00 0.00 41.96 40.56 3ekf s TYR 160 CO 0.95 -0.31 0.32 1.03 -1.34 0.00 0.00 175.55 176.19 3ekf s ARG 161 N 0.18 2.95 0.46 4.97 0.52 -1.26 -2.52 118.95 124.24 3ekf s ARG 161 Ca -0.12 -1.13 0.25 0.00 -0.52 0.00 0.00 55.73 54.20 3ekf s ARG 161 Cb -0.16 -4.00 1.07 0.00 0.52 0.00 0.00 34.95 32.38 3ekf s ARG 161 CO 0.06 -0.83 1.90 0.74 0.02 0.00 0.00 175.30 177.18 3ekf h PHE 162 N 8.64 0.00 -6.46 -0.53 0.04 -1.91 -3.47 116.94 113.25 3ekf h PHE 162 Ca -0.27 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.00 3ekf h PHE 162 Cb 1.11 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.20 3ekf h PHE 162 CO 0.58 0.21 -0.84 0.09 -0.60 0.00 0.00 178.31 177.74 3ekf n ASN 163 N -3.48 -1.88 0.24 2.17 3.02 -1.26 -4.86 115.26 109.20 3ekf n ASN 163 Ca -0.01 -0.94 0.07 0.00 -0.03 0.00 0.00 54.58 53.67 3ekf n ASN 163 Cb 0.38 -3.29 0.57 0.00 -0.61 0.00 0.00 39.78 36.83 3ekf n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ekf h SER 164 N -1.81 0.00 0.73 6.41 0.02 -1.92 -2.06 113.55 114.92 3ekf h SER 164 Ca -0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3ekf h SER 164 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3ekf h SER 164 CO 0.66 0.12 0.00 0.49 -1.14 0.00 0.00 176.83 176.96 3ekf n PHE 165 N -4.31 0.00 0.69 3.45 3.72 -1.26 -2.64 117.46 117.10 3ekf n PHE 165 Ca -0.03 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 3ekf n PHE 165 Cb 0.20 -0.44 0.20 0.00 -0.94 0.00 0.00 39.48 38.49 3ekf n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ekf n TYR 166 N -1.44 0.54 -4.67 1.38 4.02 -0.77 -4.86 117.16 111.35 3ekf n TYR 166 Ca 0.07 -0.27 -0.23 0.00 -0.01 0.00 0.00 57.90 57.47 3ekf n TYR 166 Cb 0.26 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.43 3ekf n TYR 166 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3ekf s ARG 167 N -1.46 1.19 0.02 -0.72 0.52 -1.08 -5.04 118.95 112.38 3ekf s ARG 167 Ca 0.29 -0.56 0.22 0.00 -0.52 0.00 0.00 55.73 55.16 3ekf s ARG 167 Cb 0.15 -1.16 -0.10 0.00 0.52 0.00 0.00 34.95 34.36 3ekf s ARG 167 CO 0.20 0.32 0.88 -0.40 0.02 0.00 0.00 175.30 176.32 3ekf n ASP 168 N 2.64 0.59 -4.92 0.23 5.75 -1.26 -4.89 116.55 114.69 3ekf n ASP 168 Ca -0.15 -0.38 -0.20 0.00 -0.01 0.00 0.00 54.79 54.06 3ekf n ASP 168 Cb 0.55 1.09 -0.02 0.00 -1.03 0.00 0.00 41.12 41.71 3ekf n ASP 168 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3ekf s GLN 169 N -3.21 2.78 0.75 0.11 -1.52 -1.26 -5.10 119.66 112.21 3ekf s GLN 169 Ca 0.02 -1.28 -0.15 0.00 -1.95 0.00 0.00 55.36 52.00 3ekf s GLN 169 Cb 0.15 -2.58 0.05 0.00 -0.22 0.00 0.00 33.01 30.41 3ekf s GLN 169 CO 0.84 -0.05 1.24 -2.14 -0.25 0.00 0.00 175.29 174.93 3ekf s PRO 170 N -4.13 1.97 0.30 2.91 0.02 -1.26 -4.93 135.00 129.88 3ekf s PRO 170 Ca 0.46 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 63.06 3ekf s PRO 170 Cb -0.07 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.53 3ekf s PRO 170 CO 0.29 -1.99 1.38 1.58 -0.33 0.00 0.00 177.00 177.92 3ekf n HIS 171 N -2.79 2.34 -0.34 6.54 -0.00 -1.26 -4.81 115.22 114.90 3ekf n HIS 171 Ca 0.14 0.47 0.24 0.00 0.46 0.00 0.00 57.72 59.04 3ekf n HIS 171 Cb 0.50 -2.46 0.51 0.00 -0.12 0.00 0.00 29.99 28.42 3ekf n HIS 171 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3ekf h PRO 172 N 3.40 0.36 -0.37 1.57 0.13 -1.99 -0.30 132.00 134.79 3ekf h PRO 172 Ca -0.46 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 3ekf h PRO 172 Cb 1.27 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3ekf h PRO 172 CO 0.69 0.24 0.15 0.35 -0.23 0.00 0.00 178.00 179.20 3ekf h PHE 173 N 0.37 0.27 -0.29 1.56 3.57 -1.96 -2.64 116.94 117.81 3ekf h PHE 173 Ca 0.64 0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.19 3ekf h PHE 173 Cb 1.63 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 3ekf h PHE 173 CO -0.00 0.12 0.09 0.82 -2.23 0.00 0.00 178.31 177.11 3ekf h ILE 174 N 0.32 0.90 -0.74 1.41 1.08 -1.42 -2.98 117.51 116.08 3ekf h ILE 174 Ca 0.17 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.60 3ekf h ILE 174 Cb 0.12 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 3ekf h ILE 174 CO -0.15 0.04 0.46 0.74 -0.69 0.00 0.00 178.15 178.55 3ekf h THR 175 N 0.21 1.08 0.05 -0.27 2.02 -1.08 -0.12 112.91 114.80 3ekf h THR 175 Ca 0.13 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3ekf h THR 175 Cb 0.11 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3ekf h THR 175 CO -0.15 0.16 -0.05 0.28 0.37 0.00 0.00 175.52 176.13 3ekf h SER 176 N 0.89 -0.14 -0.68 4.18 0.02 -1.57 -3.24 113.55 113.00 3ekf h SER 176 Ca 0.31 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.39 3ekf h SER 176 Cb 0.06 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 3ekf h SER 176 CO -0.13 -0.07 -0.21 0.80 -1.14 0.00 0.00 176.83 176.08 3ekf n MET 177 N -2.60 -0.10 -0.23 3.45 0.00 -0.64 -1.08 117.12 115.92 3ekf n MET 177 Ca -0.01 1.06 0.01 0.00 0.00 0.00 0.00 57.70 58.75 3ekf n MET 177 Cb 0.05 -1.58 0.24 0.00 0.00 0.00 0.00 33.22 31.93 3ekf n MET 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3ekf h VAL 178 N 0.00 1.19 -0.20 1.12 2.07 -1.09 -1.34 116.25 118.01 3ekf h VAL 178 Ca 0.29 -0.36 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 3ekf h VAL 178 Cb 0.46 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3ekf h VAL 178 CO -0.69 0.19 -0.59 0.08 0.02 0.00 0.00 177.57 176.58 3ekf h ARG 179 N 1.04 0.64 -0.04 1.57 -0.00 -1.13 -2.77 114.38 113.69 3ekf h ARG 179 Ca 0.29 -0.43 -0.19 0.00 -0.00 0.00 0.00 59.98 59.66 3ekf h ARG 179 Cb -0.10 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 3ekf h ARG 179 CO -0.07 1.05 -0.78 0.00 -0.00 0.00 0.00 179.97 180.17 3ekf h ALA 180 N 0.86 0.59 -0.68 0.08 0.00 -1.33 -1.33 119.26 117.45 3ekf h ALA 180 Ca -0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3ekf h ALA 180 Cb 1.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3ekf h ALA 180 CO 0.12 0.81 0.27 1.37 0.00 0.00 0.00 179.25 181.82 3ekf h LEU 181 N 0.19 0.92 0.09 0.00 -0.00 -1.27 -2.47 115.31 112.78 3ekf h LEU 181 Ca -0.04 -0.13 -0.21 0.00 -0.00 0.00 0.00 57.88 57.50 3ekf h LEU 181 Cb 1.36 -0.24 0.02 0.00 -0.00 0.00 0.00 40.66 41.81 3ekf h LEU 181 CO 0.13 0.82 -0.88 -2.24 -0.00 0.00 0.00 178.44 176.27 3ekf h ASP 182 N 0.98 0.62 0.43 0.17 2.03 -1.43 -3.13 116.42 116.09 3ekf h ASP 182 Ca 0.23 -0.85 -0.06 0.00 -0.73 0.00 0.00 57.03 55.62 3ekf h ASP 182 Cb 0.19 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3ekf h ASP 182 CO -0.02 1.40 -0.31 -0.33 -1.03 0.00 0.00 179.24 178.96 3ekf h GLU 183 N -0.08 0.00 -0.37 4.15 3.07 -1.28 0.19 114.58 120.27 3ekf h GLU 183 Ca -0.13 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.57 3ekf h GLU 183 Cb 1.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.52 3ekf h GLU 183 CO 0.17 0.31 -0.39 0.00 -1.40 0.00 0.00 179.01 177.69 3ekf h ALA 184 N 1.69 0.54 -0.41 3.43 0.00 -1.56 -1.32 119.26 121.64 3ekf h ALA 184 Ca -0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3ekf h ALA 184 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ekf h ALA 184 CO 0.04 0.65 -0.13 1.98 0.00 0.00 0.00 179.25 181.79 3ekf h MET 185 N 0.72 0.75 0.00 0.00 4.05 -1.32 -3.11 114.93 116.02 3ekf h MET 185 Ca 0.05 -0.26 -0.15 0.00 -0.28 0.00 0.00 59.70 59.07 3ekf h MET 185 Cb 0.99 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 3ekf h MET 185 CO 0.10 0.85 -0.73 -0.91 0.23 0.00 0.00 176.91 176.44 3ekf h ASN 186 N 0.68 0.00 0.65 1.39 -0.26 -0.60 -3.24 115.58 114.20 3ekf h ASN 186 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3ekf h ASN 186 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3ekf h ASN 186 CO 0.04 0.73 0.00 0.50 -1.06 0.00 0.00 177.43 177.64 3ekf h LYS 187 N 0.00 0.00 -0.31 0.81 3.64 -1.16 -2.45 116.57 117.10 3ekf h LYS 187 Ca -0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 3ekf h LYS 187 Cb 1.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3ekf h LYS 187 CO 0.10 0.00 -0.45 -0.07 -2.27 0.00 0.00 179.45 176.76 3ekf h LEU 188 N 0.00 0.85 -1.75 5.20 3.38 -1.61 -3.20 115.31 118.17 3ekf h LEU 188 Ca 0.00 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3ekf h LEU 188 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ekf h LEU 188 CO 0.00 1.17 0.02 0.00 0.09 0.00 0.00 178.44 179.72 3ekf n GLN 189 N -4.03 1.86 -3.66 1.13 10.64 -0.92 -4.72 117.38 117.67 3ekf n GLN 189 Ca -0.03 -0.76 -0.39 0.00 -1.83 0.00 0.00 57.00 53.99 3ekf n GLN 189 Cb 0.56 -1.63 -0.11 0.00 -0.86 0.00 0.00 30.24 28.21 3ekf n GLN 189 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3ekf s ARG 190 N -1.34 2.60 0.07 2.61 0.52 -1.21 -4.97 118.95 117.23 3ekf s ARG 190 Ca 0.13 -1.34 -0.15 0.00 -0.52 0.00 0.00 55.73 53.85 3ekf s ARG 190 Cb 0.10 -3.65 -0.17 0.00 0.52 0.00 0.00 34.95 31.75 3ekf s ARG 190 CO 0.04 -0.83 1.26 0.00 0.02 0.00 0.00 175.30 175.79 3ekf h ALA 191 N 8.32 0.24 -1.05 2.13 0.00 -1.90 -3.50 119.26 123.50 3ekf h ALA 191 Ca -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3ekf h ALA 191 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ekf h ALA 191 CO 0.69 0.52 0.00 0.27 0.00 0.00 0.00 179.25 180.73 3ekf n ASN 192 N -4.09 0.00 0.00 0.00 2.04 -1.26 -4.93 115.26 107.02 3ekf n ASN 192 Ca -0.08 0.47 0.00 0.00 -0.44 0.00 0.00 54.58 54.53 3ekf n ASN 192 Cb 0.68 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 3ekf n ASN 192 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 3ekf n GLN 204 N -1.47 0.00 0.17 -3.83 -0.06 -1.26 -5.25 117.38 105.68 3ekf n GLN 204 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 3ekf n GLN 204 Cb 0.00 -1.16 0.28 0.00 -4.06 0.00 0.00 30.24 25.31 3ekf n GLN 204 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 3ekf h PHE 205 N 0.00 0.00 0.00 3.69 3.57 -2.01 -3.14 116.94 119.06 3ekf h PHE 205 Ca 0.00 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 3ekf h PHE 205 Cb 0.00 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3ekf h PHE 205 CO 0.00 0.47 -1.73 1.04 -2.23 0.00 0.00 178.31 175.86 3ekf n GLN 206 N -3.97 0.64 -0.22 1.11 1.13 -1.26 -4.93 117.38 109.87 3ekf n GLN 206 Ca -0.02 0.29 -0.17 0.00 -1.94 0.00 0.00 57.00 55.16 3ekf n GLN 206 Cb 0.49 -1.78 -0.04 0.00 0.11 0.00 0.00 30.24 29.01 3ekf n GLN 206 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3ekf n GLU 207 N -3.05 0.11 -0.85 -1.09 2.13 -1.19 -4.93 120.64 111.78 3ekf n GLU 207 Ca -0.18 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 56.91 3ekf n GLU 207 Cb 1.05 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.56 3ekf n GLU 207 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3ekf n LYS 210 N 6.03 0.00 -0.07 5.31 -0.00 -1.26 -5.01 118.16 123.16 3ekf n LYS 210 Ca 0.19 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.32 3ekf n LYS 210 Cb 0.16 -2.26 -0.13 0.00 -0.00 0.00 0.00 35.03 32.79 3ekf n LYS 210 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3ekf n VAL 211 N -2.27 1.59 0.87 0.58 0.31 -1.26 -4.42 118.33 113.73 3ekf n VAL 211 Ca 0.00 -0.64 0.12 0.00 -0.01 0.00 0.00 64.34 63.81 3ekf n VAL 211 Cb 0.00 -1.41 0.54 0.00 -0.91 0.00 0.00 33.84 32.06 3ekf n VAL 211 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 3ekf n MET 212 N -3.27 0.01 0.22 5.55 0.00 -1.26 -3.77 117.12 114.60 3ekf n MET 212 Ca -0.38 0.07 0.10 0.00 0.00 0.00 0.00 57.70 57.49 3ekf n MET 212 Cb 1.03 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 33.20 3ekf n MET 212 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3ekf h ASN 213 N 0.00 0.00 -0.17 3.17 2.35 -2.00 -1.07 115.58 117.86 3ekf h ASN 213 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3ekf h ASN 213 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3ekf h ASN 213 CO 0.00 0.21 0.01 0.44 -1.65 0.00 0.00 177.43 176.44 3ekf h ASP 214 N 0.00 0.29 -0.40 5.81 5.19 -1.86 -2.31 116.42 123.15 3ekf h ASP 214 Ca -0.00 -0.29 0.07 0.00 -0.62 0.00 0.00 57.03 56.18 3ekf h ASP 214 Cb 0.76 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 3ekf h ASP 214 CO 0.03 0.51 0.04 0.25 -3.12 0.00 0.00 179.24 176.95 3ekf h LEU 215 N 0.06 -0.08 -0.36 1.55 5.85 -1.65 0.19 115.31 120.87 3ekf h LEU 215 Ca 0.05 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ekf h LEU 215 Cb 0.36 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3ekf h LEU 215 CO 0.01 -0.00 0.20 0.58 -0.34 0.00 0.00 178.44 178.88 3ekf h VAL 216 N 0.15 1.02 -0.52 1.05 2.07 -1.22 0.77 116.25 119.57 3ekf h VAL 216 Ca 0.19 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3ekf h VAL 216 Cb 0.26 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3ekf h VAL 216 CO -0.29 0.07 0.22 0.44 0.02 0.00 0.00 177.57 178.03 3ekf h ASP 217 N 0.41 0.26 -0.25 0.57 5.19 -0.95 -1.88 116.42 119.77 3ekf h ASP 217 Ca 0.15 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.53 3ekf h ASP 217 Cb 0.02 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 3ekf h ASP 217 CO -0.08 0.18 -0.08 0.11 -3.12 0.00 0.00 179.24 176.25 3ekf h LYS 218 N 0.42 0.62 -0.15 3.56 6.56 0.15 0.91 116.57 128.64 3ekf h LYS 218 Ca 0.24 -0.18 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 3ekf h LYS 218 Cb 0.23 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 3ekf h LYS 218 CO -0.22 0.71 0.01 0.82 -2.06 0.00 0.00 179.45 178.71 3ekf h ILE 219 N 0.58 1.24 -0.23 1.86 2.04 -0.57 -0.93 117.51 121.50 3ekf h ILE 219 Ca 0.11 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3ekf h ILE 219 Cb 0.49 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3ekf h ILE 219 CO 0.03 0.23 0.02 0.40 0.00 0.00 0.00 178.15 178.82 3ekf h ILE 220 N 0.02 1.24 -0.72 -0.67 2.04 -1.16 -2.76 117.51 115.51 3ekf h ILE 220 Ca 0.04 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3ekf h ILE 220 Cb 0.34 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3ekf h ILE 220 CO 0.01 0.26 0.43 0.00 0.00 0.00 0.00 178.15 178.84 3ekf h ALA 221 N 0.82 0.92 -0.61 1.87 0.00 -0.86 0.13 119.26 121.54 3ekf h ALA 221 Ca 0.07 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ekf h ALA 221 Cb 0.37 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3ekf h ALA 221 CO 0.01 0.40 0.22 -0.44 0.00 0.00 0.00 179.25 179.44 3ekf h ASP 222 N 0.99 0.22 -0.40 0.00 3.32 -1.16 -2.13 116.42 117.26 3ekf h ASP 222 Ca 0.26 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.27 3ekf h ASP 222 Cb -0.02 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3ekf h ASP 222 CO -0.05 0.13 -0.21 -0.09 -1.72 0.00 0.00 179.24 177.30 3ekf h ARG 223 N 0.40 0.86 -0.59 3.56 9.65 -1.13 -2.74 114.38 124.39 3ekf h ARG 223 Ca 0.31 -0.38 0.12 0.00 -1.10 0.00 0.00 59.98 58.93 3ekf h ARG 223 Cb 0.38 -0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.83 3ekf h ARG 223 CO -0.31 1.02 -0.10 0.87 2.80 0.00 0.00 179.97 184.26 3ekf h LYS 224 N 0.67 0.03 0.00 0.20 6.56 -0.36 -3.34 116.57 120.33 3ekf h LYS 224 Ca 0.09 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 3ekf h LYS 224 Cb 0.78 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 3ekf h LYS 224 CO 0.06 0.02 0.00 0.00 -2.06 0.00 0.00 179.45 177.48 3ekf n ALA 225 N -2.92 0.00 -0.63 3.86 0.00 -0.84 -5.09 120.51 114.89 3ekf n ALA 225 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3ekf n ALA 225 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3ekf n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ekf n SER 226 N 0.00 0.00 0.00 0.00 2.88 -1.04 -5.08 113.62 110.38 3ekf n SER 226 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ekf n SER 226 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ekf n SER 226 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ekf n GLN 229 N 1.82 0.00 -3.78 -1.46 -0.00 -1.26 -5.10 117.38 107.59 3ekf n GLN 229 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.67 3ekf n GLN 229 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.19 3ekf n GLN 229 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 3ekf s SER 230 N -0.36 6.46 -0.37 2.61 0.01 -1.26 -5.03 113.70 115.76 3ekf s SER 230 Ca 0.00 0.50 0.12 0.00 1.31 0.00 0.00 55.95 57.89 3ekf s SER 230 Cb 0.00 -2.06 0.37 0.00 0.21 0.00 0.00 66.02 64.54 3ekf s SER 230 CO 0.00 0.21 0.83 -0.67 0.41 0.00 0.00 173.24 174.02 3ekf n ASP 231 N 0.81 0.53 -1.11 2.44 4.64 -1.26 -4.92 116.55 117.69 3ekf n ASP 231 Ca -0.09 -3.01 0.00 0.00 -1.38 0.00 0.00 54.79 50.31 3ekf n ASP 231 Cb 0.52 -0.29 0.00 0.00 -1.04 0.00 0.00 41.12 40.31 3ekf n ASP 231 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3ekf n ASP 232 N 0.20 1.06 -0.24 1.67 5.68 -1.26 -4.96 116.55 118.70 3ekf n ASP 232 Ca 0.19 -0.55 -0.01 0.00 -0.50 0.00 0.00 54.79 53.92 3ekf n ASP 232 Cb 0.70 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.79 3ekf n ASP 232 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3ekf h LEU 233 N 0.00 0.57 -0.89 -2.12 5.85 -1.74 -2.74 115.31 114.24 3ekf h LEU 233 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3ekf h LEU 233 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3ekf h LEU 233 CO 0.00 0.36 0.23 0.25 -0.34 0.00 0.00 178.44 178.95 3ekf h LEU 234 N 0.70 0.97 -0.70 2.25 5.85 -1.65 -1.43 115.31 121.31 3ekf h LEU 234 Ca 0.31 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ekf h LEU 234 Cb 0.20 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3ekf h LEU 234 CO -0.19 0.90 0.44 0.74 -0.34 0.00 0.00 178.44 179.99 3ekf h THR 235 N 1.01 1.12 -0.39 1.05 2.02 -1.78 -0.42 112.91 115.53 3ekf h THR 235 Ca 0.23 -0.30 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 3ekf h THR 235 Cb 0.26 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3ekf h THR 235 CO -0.01 0.16 -0.33 0.45 0.37 0.00 0.00 175.52 176.16 3ekf h HIS 236 N 0.88 1.03 -0.73 3.16 3.86 -1.23 0.38 115.15 122.49 3ekf h HIS 236 Ca 0.27 -0.29 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 3ekf h HIS 236 Cb -0.02 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.17 3ekf h HIS 236 CO -0.04 1.08 0.43 0.52 0.86 0.00 0.00 177.93 180.78 3ekf h MET 237 N 0.73 0.77 0.16 2.45 2.07 -0.99 0.31 114.93 120.43 3ekf h MET 237 Ca 0.07 -0.05 -0.30 0.00 -2.07 0.00 0.00 59.70 57.36 3ekf h MET 237 Cb 0.90 -0.17 0.01 0.00 -1.87 0.00 0.00 31.60 30.47 3ekf h MET 237 CO 0.08 0.51 -1.36 -0.07 1.07 0.00 0.00 176.91 177.14 3ekf h LEU 238 N 0.79 0.54 0.00 1.22 3.38 -0.81 -3.41 115.31 117.02 3ekf h LEU 238 Ca 0.32 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ekf h LEU 238 Cb 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ekf h LEU 238 CO -0.17 1.47 -1.12 0.59 0.09 0.00 0.00 178.44 179.30 3ekf n ASN 239 N -3.57 4.43 -4.75 -0.43 3.02 0.10 -4.95 115.26 109.11 3ekf n ASN 239 Ca -0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 3ekf n ASN 239 Cb 1.05 1.00 -0.02 0.00 -0.61 0.00 0.00 39.78 41.19 3ekf n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ekf s GLY 240 N -2.49 2.50 -0.00 7.41 0.00 0.10 -4.99 107.32 109.84 3ekf s GLY 240 Ca -0.01 1.31 0.06 0.00 0.00 0.00 0.00 44.72 46.08 3ekf s GLY 240 CO 0.10 2.19 -0.17 0.54 0.00 0.00 0.00 173.10 175.76 3ekf s LYS 241 N -0.75 2.27 0.10 2.90 1.02 -1.26 -3.94 119.74 120.08 3ekf s LYS 241 Ca 0.57 -0.85 -0.31 0.00 0.02 0.00 0.00 55.97 55.40 3ekf s LYS 241 Cb -0.41 -2.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 3ekf s LYS 241 CO 0.46 0.58 1.24 0.34 -0.92 0.00 0.00 175.35 177.05 3ekf s ASP 242 N -1.07 7.03 0.56 2.83 2.15 0.13 -4.85 116.67 123.44 3ekf s ASP 242 Ca 0.13 2.13 0.24 0.00 0.43 0.00 0.00 52.55 55.48 3ekf s ASP 242 Cb -0.11 -2.59 1.57 0.00 -0.30 0.00 0.00 42.92 41.50 3ekf s ASP 242 CO 0.03 -0.49 2.19 -0.65 -0.17 0.00 0.00 175.17 176.08 3ekf h PRO 243 N 6.43 0.00 -0.05 4.34 0.11 -1.91 0.20 132.00 141.12 3ekf h PRO 243 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3ekf h PRO 243 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ekf h PRO 243 CO 0.81 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 179.43 3ekf h GLU 244 N 0.00 0.16 -0.00 1.05 5.08 -1.97 -3.40 114.58 115.50 3ekf h GLU 244 Ca 0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ekf h GLU 244 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ekf h GLU 244 CO -0.00 0.68 -0.03 0.25 -1.00 0.00 0.00 179.01 178.91 3ekf n THR 245 N -4.67 0.00 -0.94 1.13 -2.24 -1.16 -5.01 114.28 101.39 3ekf n THR 245 Ca -0.08 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3ekf n THR 245 Cb 0.35 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3ekf n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ekf n GLY 246 N 0.93 0.81 3.77 3.38 0.00 0.70 -5.00 105.19 109.78 3ekf n GLY 246 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3ekf n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ekf s GLU 247 N -0.16 4.55 0.76 1.61 2.02 -1.25 -4.55 118.70 121.68 3ekf s GLU 247 Ca 0.00 1.14 -0.09 0.00 0.02 0.00 0.00 54.97 56.04 3ekf s GLU 247 Cb 0.00 -3.30 0.08 0.00 0.10 0.00 0.00 34.13 31.01 3ekf s GLU 247 CO 0.00 0.47 1.09 -1.25 0.02 0.00 0.00 175.26 175.59 3ekf s PRO 248 N -0.77 2.00 0.30 0.39 0.04 -1.26 0.19 135.00 135.89 3ekf s PRO 248 Ca 0.37 -0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.95 3ekf s PRO 248 Cb -0.22 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3ekf s PRO 248 CO 0.25 -1.44 1.10 -0.51 0.04 0.00 0.00 177.00 176.44 3ekf s LEU 249 N -5.39 4.48 0.95 -3.56 1.43 -1.25 -4.92 118.68 110.42 3ekf s LEU 249 Ca 0.62 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.82 3ekf s LEU 249 Cb -0.10 -3.72 0.16 0.00 0.03 0.00 0.00 46.19 42.57 3ekf s LEU 249 CO 0.47 -0.21 1.18 1.51 0.23 0.00 0.00 176.35 179.52 3ekf s ASP 250 N -0.98 3.19 0.19 2.29 1.47 -1.26 -4.84 116.67 116.73 3ekf s ASP 250 Ca 0.47 0.74 -0.08 0.00 1.18 0.00 0.00 52.55 54.86 3ekf s ASP 250 Cb -0.31 -1.15 0.10 0.00 -0.34 0.00 0.00 42.92 41.23 3ekf s ASP 250 CO 0.39 -2.73 1.67 0.44 0.68 0.00 0.00 175.17 175.62 3ekf h ASP 251 N -1.63 1.05 -0.43 2.11 3.32 -1.98 -1.76 116.42 117.10 3ekf h ASP 251 Ca -0.48 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.26 3ekf h ASP 251 Cb 1.31 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3ekf h ASP 251 CO 0.53 1.07 0.14 -0.08 -1.72 0.00 0.00 179.24 179.19 3ekf h GLU 252 N 1.00 0.67 -0.39 3.56 4.81 -2.00 -2.65 114.58 119.57 3ekf h GLU 252 Ca 0.18 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 3ekf h GLU 252 Cb 0.51 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3ekf h GLU 252 CO 0.02 0.65 -0.34 -0.97 -0.73 0.00 0.00 179.01 177.65 3ekf h ASN 253 N 0.56 0.95 -0.65 1.04 -0.73 -1.92 -2.78 115.58 112.06 3ekf h ASN 253 Ca 0.14 -0.41 0.09 0.00 1.87 0.00 0.00 56.30 57.99 3ekf h ASN 253 Cb 0.26 -0.27 -0.07 0.00 0.27 0.00 0.00 38.32 38.51 3ekf h ASN 253 CO -0.01 1.19 0.28 0.40 -0.37 0.00 0.00 177.43 178.92 3ekf h ILE 254 N 0.75 0.80 -0.82 2.57 2.04 -1.15 0.16 117.51 121.85 3ekf h ILE 254 Ca 0.07 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3ekf h ILE 254 Cb 0.91 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3ekf h ILE 254 CO 0.08 0.09 0.46 0.03 0.00 0.00 0.00 178.15 178.81 3ekf h ARG 255 N 0.48 1.14 -0.71 2.37 3.08 -1.39 -1.02 114.38 118.33 3ekf h ARG 255 Ca 0.32 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3ekf h ARG 255 Cb 0.37 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3ekf h ARG 255 CO -0.29 0.84 0.28 1.88 -1.07 0.00 0.00 179.97 181.61 3ekf h TYR 256 N 1.14 1.07 -0.50 3.04 0.05 -0.98 -2.64 116.97 118.14 3ekf h TYR 256 Ca 0.29 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.87 3ekf h TYR 256 Cb 0.02 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 3ekf h TYR 256 CO 0.00 0.81 -0.19 1.96 -1.05 0.00 0.00 178.16 179.70 3ekf h GLN 257 N 1.03 1.01 0.25 4.88 1.08 -0.32 -0.66 115.11 122.39 3ekf h GLN 257 Ca 0.24 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3ekf h GLN 257 Cb 0.20 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3ekf h GLN 257 CO -0.02 1.10 -0.22 0.82 -0.95 0.00 0.00 178.83 179.56 3ekf h ILE 258 N 0.88 0.52 -0.41 2.54 2.04 -1.11 -1.14 117.51 120.83 3ekf h ILE 258 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 3ekf h ILE 258 Cb 0.77 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3ekf h ILE 258 CO 0.06 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.63 3ekf h ILE 259 N -0.49 0.71 -0.37 -0.67 2.04 -1.44 -1.26 117.51 116.03 3ekf h ILE 259 Ca -0.01 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3ekf h ILE 259 Cb 0.45 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3ekf h ILE 259 CO -0.04 0.02 -0.12 0.74 0.00 0.00 0.00 178.15 178.76 3ekf h THR 260 N 0.13 0.57 -0.00 -0.27 2.02 -0.90 -0.89 112.91 113.57 3ekf h THR 260 Ca 0.20 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.22 3ekf h THR 260 Cb 0.28 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3ekf h THR 260 CO -0.32 0.00 -0.76 -0.26 0.37 0.00 0.00 175.52 174.55 3ekf h PHE 261 N -0.04 0.01 -0.32 3.16 -1.00 -0.92 -0.16 116.94 117.67 3ekf h PHE 261 Ca 0.18 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 3ekf h PHE 261 Cb 0.32 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 3ekf h PHE 261 CO -0.36 0.76 -0.05 -0.07 -1.61 0.00 0.00 178.31 176.98 3ekf h LEU 262 N 0.00 0.59 0.00 1.54 3.38 -1.02 -1.93 115.31 117.87 3ekf h LEU 262 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3ekf h LEU 262 Cb 1.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ekf h LEU 262 CO 0.10 0.80 0.00 -0.38 0.09 0.00 0.00 178.44 179.05 3ekf n ILE 263 N -4.49 0.00 0.10 1.22 5.41 -0.36 -3.72 119.36 117.53 3ekf n ILE 263 Ca -0.03 0.54 0.20 0.00 1.00 0.00 0.00 62.75 64.46 3ekf n ILE 263 Cb 0.30 -1.12 0.67 0.00 -0.71 0.00 0.00 39.64 38.78 3ekf n ILE 263 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3ekf h GLN 264 N 0.00 0.00 -0.00 0.38 -0.00 -1.20 -1.27 115.11 113.02 3ekf h GLN 264 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ekf h GLN 264 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 3ekf h GLN 264 CO 0.00 0.00 -0.06 0.41 0.00 0.00 0.00 178.83 179.18 3ekf n GLY 265 N -1.47 -1.11 0.00 2.39 0.00 -0.73 -4.28 105.19 100.00 3ekf n GLY 265 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ekf n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ekf n HIS 266 N -1.12 0.00 0.03 1.61 1.44 -0.49 -4.71 115.22 111.97 3ekf n HIS 266 Ca 0.15 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.73 3ekf n HIS 266 Cb 0.25 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.27 3ekf n HIS 266 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3ekf h GLU 267 N 0.00 -0.09 0.00 -1.40 4.81 -1.70 -2.15 114.58 114.05 3ekf h GLU 267 Ca 0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3ekf h GLU 267 Cb 0.54 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3ekf h GLU 267 CO 0.00 0.34 -0.51 1.79 -0.73 0.00 0.00 179.01 179.90 3ekf h THR 268 N -0.56 1.31 -0.18 0.32 1.35 -1.85 -2.54 112.91 110.76 3ekf h THR 268 Ca -0.01 -1.79 -0.17 0.00 -0.55 0.00 0.00 66.41 63.89 3ekf h THR 268 Cb 0.48 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3ekf h THR 268 CO 0.02 0.50 -0.58 0.74 -0.25 0.00 0.00 175.52 175.95 3ekf h THR 269 N 0.00 1.32 -0.39 6.82 2.02 -1.85 -1.79 112.91 119.04 3ekf h THR 269 Ca -0.01 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 65.27 3ekf h THR 269 Cb 0.94 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3ekf h THR 269 CO 0.07 0.57 -0.02 -1.28 0.37 0.00 0.00 175.52 175.23 3ekf h SER 270 N 0.43 0.69 -0.75 4.18 0.87 -1.18 -1.82 113.55 115.96 3ekf h SER 270 Ca 0.00 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 3ekf h SER 270 Cb 1.13 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 3ekf h SER 270 CO 0.11 0.84 0.37 1.23 -0.53 0.00 0.00 176.83 178.85 3ekf h GLY 271 N 0.51 1.16 0.75 5.77 0.00 -1.42 -1.79 103.07 108.06 3ekf h GLY 271 Ca 0.11 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3ekf h GLY 271 CO 0.02 0.54 -0.34 -2.00 0.00 0.00 0.00 176.54 174.76 3ekf h LEU 272 N 1.06 -0.90 -0.73 3.11 5.85 -1.10 -1.04 115.31 121.56 3ekf h LEU 272 Ca 0.26 0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.16 3ekf h LEU 272 Cb 0.11 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3ekf h LEU 272 CO -0.03 -0.51 0.33 -0.07 -0.34 0.00 0.00 178.44 177.82 3ekf h LEU 273 N -0.79 0.38 0.04 2.25 3.38 -1.26 0.18 115.31 119.50 3ekf h LEU 273 Ca -0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ekf h LEU 273 Cb 0.67 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ekf h LEU 273 CO 0.00 0.19 -0.03 0.28 0.09 0.00 0.00 178.44 178.98 3ekf h SER 274 N 0.53 -0.07 -0.80 -0.43 0.02 -1.17 -1.03 113.55 110.60 3ekf h SER 274 Ca 0.38 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 3ekf h SER 274 Cb 0.49 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 3ekf h SER 274 CO -0.33 -0.05 0.44 -0.26 -1.14 0.00 0.00 176.83 175.49 3ekf h PHE 275 N -0.07 1.09 0.10 3.45 0.04 -0.94 -0.64 116.94 119.98 3ekf h PHE 275 Ca -0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ekf h PHE 275 Cb 0.06 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 3ekf h PHE 275 CO -0.08 0.76 -0.08 0.00 -0.60 0.00 0.00 178.31 178.31 3ekf h ALA 276 N 1.23 -0.17 -0.81 2.45 0.00 -0.48 0.34 119.26 121.82 3ekf h ALA 276 Ca 0.28 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3ekf h ALA 276 Cb 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3ekf h ALA 276 CO -0.05 -0.60 0.52 1.25 0.00 0.00 0.00 179.25 180.37 3ekf h LEU 277 N -0.19 0.84 0.08 0.00 5.85 -1.08 -1.23 115.31 119.58 3ekf h LEU 277 Ca -0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3ekf h LEU 277 Cb 0.17 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3ekf h LEU 277 CO -0.01 0.57 -0.40 0.22 -0.34 0.00 0.00 178.44 178.49 3ekf h TYR 278 N 0.99 -1.11 -0.35 1.25 3.20 -0.73 -1.41 116.97 118.81 3ekf h TYR 278 Ca 0.33 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.20 3ekf h TYR 278 Cb 0.04 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3ekf h TYR 278 CO -0.03 -0.49 0.07 0.74 -1.64 0.00 0.00 178.16 176.81 3ekf h PHE 279 N -0.60 0.53 -0.51 -3.82 0.04 -0.69 -1.83 116.94 110.06 3ekf h PHE 279 Ca 0.03 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3ekf h PHE 279 Cb 0.65 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 3ekf h PHE 279 CO -0.37 0.47 0.07 -0.07 -0.60 0.00 0.00 178.31 177.81 3ekf h LEU 280 N 0.51 0.82 -0.82 1.54 3.38 -1.01 -2.22 115.31 117.51 3ekf h LEU 280 Ca 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ekf h LEU 280 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ekf h LEU 280 CO -0.00 0.88 0.00 -0.37 0.09 0.00 0.00 178.44 179.04 3ekf h VAL 281 N 0.73 0.00 0.00 1.22 -1.51 -0.73 -2.50 116.25 113.45 3ekf h VAL 281 Ca 0.15 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3ekf h VAL 281 Cb 0.42 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3ekf h VAL 281 CO 0.01 0.00 -0.36 0.29 -1.23 0.00 0.00 177.57 176.29 3ekf n LYS 282 N -3.02 0.09 -3.49 5.19 4.76 -0.74 -4.61 118.16 116.35 3ekf n LYS 282 Ca 0.02 0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.23 3ekf n LYS 282 Cb 0.39 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 31.92 3ekf n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ekf n ASN 283 N -1.70 1.07 0.09 4.39 3.02 -0.85 -4.99 115.26 116.29 3ekf n ASN 283 Ca 0.05 -2.78 0.10 0.00 -0.03 0.00 0.00 54.58 51.92 3ekf n ASN 283 Cb 0.37 -0.64 0.58 0.00 -0.61 0.00 0.00 39.78 39.48 3ekf n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3ekf h PRO 284 N 5.07 0.19 0.00 3.52 0.11 -1.82 0.10 132.00 139.18 3ekf h PRO 284 Ca 0.19 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 3ekf h PRO 284 Cb 0.83 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3ekf h PRO 284 CO 0.53 0.12 -0.52 0.45 -0.21 0.00 0.00 178.00 178.38 3ekf h HIS 285 N 0.19 0.00 -0.12 0.65 3.86 -1.94 -0.64 115.15 117.16 3ekf h HIS 285 Ca 0.13 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.18 3ekf h HIS 285 Cb 0.27 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.75 3ekf h HIS 285 CO -0.00 0.52 -0.54 0.28 0.86 0.00 0.00 177.93 179.04 3ekf h VAL 286 N 0.00 1.35 -0.38 2.45 2.07 -1.16 -2.96 116.25 117.62 3ekf h VAL 286 Ca -0.01 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.70 3ekf h VAL 286 Cb 0.98 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 3ekf h VAL 286 CO 0.07 0.56 0.22 0.25 0.02 0.00 0.00 177.57 178.69 3ekf h LEU 287 N 0.21 0.35 -0.12 2.57 5.85 -1.21 -0.06 115.31 122.90 3ekf h LEU 287 Ca -0.03 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ekf h LEU 287 Cb 1.18 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3ekf h LEU 287 CO 0.11 0.26 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.77 3ekf h GLN 288 N 0.45 -0.10 -0.59 1.25 5.75 -1.15 0.33 115.11 121.05 3ekf h GLN 288 Ca 0.15 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3ekf h GLN 288 Cb 0.01 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3ekf h GLN 288 CO -0.07 -0.06 0.32 -0.22 -2.65 0.00 0.00 178.83 176.15 3ekf h LYS 289 N -0.10 0.83 -0.35 1.69 3.64 -1.33 -1.16 116.57 119.78 3ekf h LYS 289 Ca 0.08 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3ekf h LYS 289 Cb 0.21 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ekf h LYS 289 CO -0.18 0.63 0.18 0.00 -2.27 0.00 0.00 179.45 177.81 3ekf h ALA 290 N 1.15 0.45 -0.91 5.00 0.00 -0.57 -1.87 119.26 122.50 3ekf h ALA 290 Ca 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ekf h ALA 290 Cb 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3ekf h ALA 290 CO -0.03 -0.01 0.60 0.00 0.00 0.00 0.00 179.25 179.81 3ekf h ALA 291 N 1.04 1.39 -0.19 0.00 0.00 -0.14 -1.79 119.26 119.58 3ekf h ALA 291 Ca 0.12 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3ekf h ALA 291 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ekf h ALA 291 CO -0.02 0.53 -0.49 0.93 0.00 0.00 0.00 179.25 180.20 3ekf h GLU 292 N 1.18 0.50 -0.27 0.00 5.08 -1.04 -1.89 114.58 118.14 3ekf h GLU 292 Ca 0.35 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3ekf h GLU 292 Cb -0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ekf h GLU 292 CO -0.10 0.88 0.13 1.49 -1.00 0.00 0.00 179.01 180.42 3ekf h GLU 293 N 0.40 0.38 -0.49 2.33 4.81 -1.03 -2.32 114.58 118.65 3ekf h GLU 293 Ca 0.02 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3ekf h GLU 293 Cb 1.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3ekf h GLU 293 CO 0.09 0.38 0.31 0.00 -0.73 0.00 0.00 179.01 179.06 3ekf h ALA 294 N 0.99 0.63 -0.76 2.92 0.00 -1.15 -0.94 119.26 120.95 3ekf h ALA 294 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ekf h ALA 294 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ekf h ALA 294 CO -0.01 0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.60 3ekf h ALA 295 N 1.20 0.98 -0.41 0.00 0.00 -1.33 -1.41 119.26 118.29 3ekf h ALA 295 Ca 0.19 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3ekf h ALA 295 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3ekf h ALA 295 CO -0.07 0.58 -0.19 -0.09 0.00 0.00 0.00 179.25 179.48 3ekf h ARG 296 N 1.08 0.85 0.14 0.00 2.43 -1.05 -3.36 114.38 114.47 3ekf h ARG 296 Ca 0.26 -0.37 -0.34 0.00 -0.81 0.00 0.00 59.98 58.72 3ekf h ARG 296 Cb 0.18 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3ekf h ARG 296 CO -0.03 1.01 -1.78 0.28 -1.51 0.00 0.00 179.97 177.94 3ekf h VAL 297 N 0.66 0.82 -1.47 0.20 2.07 -1.11 -3.40 116.25 114.03 3ekf h VAL 297 Ca 0.09 -2.41 -0.74 0.00 0.82 0.00 0.00 66.70 64.46 3ekf h VAL 297 Cb 0.75 2.63 -0.15 0.00 -1.52 0.00 0.00 31.29 33.00 3ekf h VAL 297 CO 0.06 0.83 1.93 0.18 0.02 0.00 0.00 177.57 180.59 3ekf n LEU 298 N -3.64 6.13 0.02 2.57 4.77 -0.54 -4.72 117.00 121.59 3ekf n LEU 298 Ca -0.28 -4.50 0.13 0.00 -0.03 0.00 0.00 56.01 51.33 3ekf n LEU 298 Cb 1.02 -1.55 0.38 0.00 -2.33 0.00 0.00 43.42 40.93 3ekf n LEU 298 CO 0.45 1.08 0.64 1.33 -1.33 0.00 0.00 177.39 179.57 3ekf n VAL 299 N 4.06 0.10 -3.92 4.08 0.24 -1.26 -4.87 118.33 116.75 3ekf n VAL 299 Ca 0.41 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 62.43 3ekf n VAL 299 Cb 0.39 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 3ekf n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3ekf s ASP 300 N -3.30 5.86 0.48 -1.34 1.01 -1.26 -5.03 116.67 113.10 3ekf s ASP 300 Ca 0.11 -0.15 0.14 0.00 0.71 0.00 0.00 52.55 53.36 3ekf s ASP 300 Cb 0.17 -1.49 1.12 0.00 1.01 0.00 0.00 42.92 43.73 3ekf s ASP 300 CO 0.64 -0.15 2.08 -0.65 0.21 0.00 0.00 175.17 177.30 3ekf h PRO 301 N 1.24 0.07 -4.69 8.23 0.11 -1.89 -3.41 132.00 131.67 3ekf h PRO 301 Ca -0.49 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.30 3ekf h PRO 301 Cb 1.24 -0.01 -0.23 0.00 0.11 0.00 0.00 31.00 32.11 3ekf h PRO 301 CO 0.59 0.11 -0.75 0.14 -0.21 0.00 0.00 178.00 177.89 3ekf s VAL 302 N -4.98 0.64 0.40 3.15 -7.23 -1.26 -3.09 120.40 108.03 3ekf s VAL 302 Ca -0.05 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 58.92 3ekf s VAL 302 Cb 0.17 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.36 3ekf s VAL 302 CO 0.69 -0.23 1.22 -2.84 -0.31 0.00 0.00 175.10 173.62 3ekf s PRO 303 N -1.28 4.05 0.51 4.82 0.02 -1.26 -5.01 135.00 136.85 3ekf s PRO 303 Ca -0.06 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 62.89 3ekf s PRO 303 Cb -0.08 -2.73 -0.00 0.00 0.02 0.00 0.00 34.50 31.70 3ekf s PRO 303 CO 0.01 -0.36 0.78 -1.54 -0.33 0.00 0.00 177.00 175.56 3ekf s SER 304 N -0.97 5.78 0.19 2.53 1.04 -1.26 -4.99 113.70 116.01 3ekf s SER 304 Ca 0.56 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 57.42 3ekf s SER 304 Cb -0.33 -1.69 0.18 0.00 0.10 0.00 0.00 66.02 64.27 3ekf s SER 304 CO 0.43 -0.84 1.77 0.22 0.98 0.00 0.00 173.24 175.79 3ekf h TYR 305 N 0.13 0.43 -0.74 5.02 5.03 -1.96 -2.71 116.97 122.17 3ekf h TYR 305 Ca -0.46 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 60.83 3ekf h TYR 305 Cb 1.25 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.38 3ekf h TYR 305 CO 0.48 0.18 0.31 -0.22 -1.32 0.00 0.00 178.16 177.59 3ekf h LYS 306 N 0.46 1.10 -0.82 1.82 3.64 -2.00 -2.84 116.57 117.93 3ekf h LYS 306 Ca 0.25 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ekf h LYS 306 Cb 0.21 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3ekf h LYS 306 CO -0.21 0.89 0.51 1.96 -2.27 0.00 0.00 179.45 180.34 3ekf h GLN 307 N 1.07 1.10 -0.36 1.90 4.20 -1.87 -2.66 115.11 118.48 3ekf h GLN 307 Ca 0.25 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.88 3ekf h GLN 307 Cb 0.19 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3ekf h GLN 307 CO -0.02 0.75 0.23 0.28 -0.67 0.00 0.00 178.83 179.40 3ekf h VAL 308 N 1.12 1.08 -0.16 -0.54 2.07 -1.26 -0.39 116.25 118.16 3ekf h VAL 308 Ca 0.30 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.70 3ekf h VAL 308 Cb -0.08 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3ekf h VAL 308 CO -0.06 0.09 0.19 0.11 0.02 0.00 0.00 177.57 177.92 3ekf h LYS 309 N 0.47 0.00 0.00 1.57 1.79 -1.45 -1.46 116.57 117.49 3ekf h LYS 309 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3ekf h LYS 309 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3ekf h LYS 309 CO -0.04 0.00 -0.13 1.04 -1.08 0.00 0.00 179.45 179.24 3ekf n GLN 310 N -3.73 0.07 -1.55 3.15 6.02 -0.18 -4.44 117.38 116.72 3ekf n GLN 310 Ca 0.01 0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 3ekf n GLN 310 Cb 0.31 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 3ekf n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ekf n LEU 311 N -1.69 7.10 -0.05 1.08 4.77 -0.55 -4.74 117.00 122.93 3ekf n LEU 311 Ca 0.06 -4.07 -0.10 0.00 -0.03 0.00 0.00 56.01 51.87 3ekf n LEU 311 Cb 0.36 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.84 3ekf n LEU 311 CO 0.30 1.24 0.91 0.50 -1.33 0.00 0.00 177.39 179.00 3ekf h LYS 312 N 5.89 0.27 -0.18 3.23 3.11 -1.84 -2.15 116.57 124.90 3ekf h LYS 312 Ca 0.64 -0.03 -0.19 0.00 -2.81 0.00 0.00 60.65 58.26 3ekf h LYS 312 Cb 0.53 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 3ekf h LYS 312 CO 1.86 0.26 -0.65 -0.92 -2.81 0.00 0.00 179.45 177.18 3ekf h TYR 313 N 0.21 0.86 -0.62 1.91 3.20 -1.97 -1.91 116.97 118.63 3ekf h TYR 313 Ca 0.07 -0.34 0.05 0.00 3.14 0.00 0.00 58.73 61.64 3ekf h TYR 313 Cb 0.07 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 3ekf h TYR 313 CO -0.04 1.13 0.35 0.28 -1.64 0.00 0.00 178.16 178.24 3ekf h VAL 314 N 0.48 1.00 -0.84 1.81 2.07 -1.89 0.09 116.25 118.96 3ekf h VAL 314 Ca -0.02 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3ekf h VAL 314 Cb 1.24 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3ekf h VAL 314 CO 0.13 0.12 0.53 1.23 0.02 0.00 0.00 177.57 179.60 3ekf h GLY 315 N 0.67 1.26 0.99 2.17 0.00 -1.16 -1.03 103.07 105.97 3ekf h GLY 315 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3ekf h GLY 315 CO -0.15 0.29 0.31 -0.33 0.00 0.00 0.00 176.54 176.65 3ekf h MET 316 N 0.99 0.80 -0.55 4.80 2.07 -0.81 -1.19 114.93 121.03 3ekf h MET 316 Ca 0.36 -0.10 0.07 0.00 -2.07 0.00 0.00 59.70 57.96 3ekf h MET 316 Cb 0.12 -0.15 -0.06 0.00 -1.87 0.00 0.00 31.60 29.63 3ekf h MET 316 CO -0.15 0.62 0.23 0.28 1.07 0.00 0.00 176.91 178.95 3ekf h VAL 317 N 0.77 0.85 -0.33 -2.22 2.07 -0.44 -0.03 116.25 116.91 3ekf h VAL 317 Ca 0.20 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 3ekf h VAL 317 Cb 0.06 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3ekf h VAL 317 CO -0.03 0.08 -0.03 -0.07 0.02 0.00 0.00 177.57 177.54 3ekf h LEU 318 N 0.43 0.60 -1.16 2.57 3.38 -0.86 -0.52 115.31 119.75 3ekf h LEU 318 Ca 0.26 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ekf h LEU 318 Cb 0.26 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ekf h LEU 318 CO -0.24 0.79 0.24 0.78 0.09 0.00 0.00 178.44 180.10 3ekf h ASN 319 N 0.39 0.76 0.64 -0.43 2.35 -1.02 -1.21 115.58 117.06 3ekf h ASN 319 Ca 0.09 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3ekf h ASN 319 Cb 0.50 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3ekf h ASN 319 CO 0.02 0.67 -0.68 -0.08 -1.65 0.00 0.00 177.43 175.72 3ekf h GLU 320 N 0.83 0.03 -0.60 0.81 4.57 -0.72 0.32 114.58 119.83 3ekf h GLU 320 Ca 0.20 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.26 3ekf h GLU 320 Cb 0.14 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3ekf h GLU 320 CO -0.02 0.70 0.03 0.00 -1.18 0.00 0.00 179.01 178.54 3ekf h ALA 321 N 1.29 0.92 -0.01 2.92 0.00 -0.42 -2.73 119.26 121.23 3ekf h ALA 321 Ca -0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3ekf h ALA 321 Cb 1.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ekf h ALA 321 CO 0.09 0.65 -0.35 -0.07 0.00 0.00 0.00 179.25 179.57 3ekf h LEU 322 N 0.94 0.03 0.07 0.00 3.38 -0.97 -0.33 115.31 118.43 3ekf h LEU 322 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ekf h LEU 322 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ekf h LEU 322 CO 0.02 0.38 -0.03 -0.09 0.09 0.00 0.00 178.44 178.81 3ekf h ARG 323 N 0.02 -0.09 -0.03 1.13 2.43 -0.73 -2.33 114.38 114.78 3ekf h ARG 323 Ca -0.00 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3ekf h ARG 323 Cb 0.64 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3ekf h ARG 323 CO 0.05 0.03 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.99 3ekf h LEU 324 N -0.19 0.46 -6.43 3.80 3.38 -1.26 -3.40 115.31 111.66 3ekf h LEU 324 Ca -0.01 -0.73 -0.59 0.00 0.09 0.00 0.00 57.88 56.64 3ekf h LEU 324 Cb 0.16 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.38 3ekf h LEU 324 CO 0.02 1.12 -0.87 0.79 0.09 0.00 0.00 178.44 179.58 3ekf n TRP 325 N -4.31 0.61 -1.73 1.13 7.02 -0.15 -4.85 117.44 115.16 3ekf n TRP 325 Ca -0.10 -3.68 -0.42 0.00 -1.02 0.00 0.00 57.50 52.29 3ekf n TRP 325 Cb 0.60 -0.15 -0.03 0.00 -2.42 0.00 0.00 31.31 29.31 3ekf n TRP 325 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3ekf s PRO 326 N -0.82 4.14 0.18 -0.99 0.04 -0.88 -4.57 135.00 132.12 3ekf s PRO 326 Ca 0.32 2.57 0.24 0.00 0.04 0.00 0.00 61.00 64.18 3ekf s PRO 326 Cb 0.06 -3.71 0.91 0.00 0.04 0.00 0.00 34.50 31.80 3ekf s PRO 326 CO -0.15 -0.85 1.74 0.25 0.04 0.00 0.00 177.00 178.02 3ekf n THR 327 N 4.90 0.65 -3.79 1.26 -2.24 -1.26 -3.10 114.28 110.70 3ekf n THR 327 Ca 0.18 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 3ekf n THR 327 Cb 0.39 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.68 3ekf n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ekf s ALA 328 N -3.16 3.73 -0.95 6.98 0.00 -1.26 -1.31 121.76 125.79 3ekf s ALA 328 Ca 0.08 -3.54 0.22 0.00 0.00 0.00 0.00 51.96 48.72 3ekf s ALA 328 Cb 0.12 -2.48 0.93 0.00 0.00 0.00 0.00 23.12 21.69 3ekf s ALA 328 CO 0.48 -2.10 1.71 -0.35 0.00 0.00 0.00 175.76 175.50 3ekf n PRO 329 N 2.77 0.03 -3.85 0.00 -0.04 -1.18 -4.80 135.00 127.92 3ekf n PRO 329 Ca 0.13 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.63 3ekf n PRO 329 Cb 0.36 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 3ekf n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ekf s ALA 330 N -3.02 -0.38 0.03 0.55 0.00 -1.26 -1.37 121.76 116.31 3ekf s ALA 330 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3ekf s ALA 330 Cb 0.14 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3ekf s ALA 330 CO 0.41 -0.28 -0.02 -0.59 0.00 0.00 0.00 175.76 175.29 3ekf s PHE 331 N -1.87 0.35 0.06 0.00 -0.12 -1.17 -4.98 117.98 110.25 3ekf s PHE 331 Ca -0.11 -0.73 0.07 0.00 -0.05 0.00 0.00 56.93 56.11 3ekf s PHE 331 Cb -0.05 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 3ekf s PHE 331 CO -0.00 -0.28 -0.18 0.45 -0.05 0.00 0.00 175.22 175.16 3ekf s SER 332 N -2.09 3.83 0.06 1.98 0.15 -1.26 -0.62 113.70 115.75 3ekf s SER 332 Ca -0.06 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.16 3ekf s SER 332 Cb -0.02 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 3ekf s SER 332 CO -0.05 0.24 -0.07 -0.76 1.20 0.00 0.00 173.24 173.80 3ekf s LEU 333 N -1.60 2.33 0.07 3.45 1.43 0.60 -0.86 118.68 124.11 3ekf s LEU 333 Ca 0.15 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3ekf s LEU 333 Cb -0.11 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 3ekf s LEU 333 CO 0.06 -0.28 -0.16 -0.72 0.23 0.00 0.00 176.35 175.48 3ekf s TYR 334 N -2.07 1.41 -0.14 0.29 1.13 -0.01 0.15 117.35 118.11 3ekf s TYR 334 Ca -0.03 -0.43 -0.29 0.00 -1.41 0.00 0.00 57.07 54.91 3ekf s TYR 334 Cb -0.05 -0.79 -0.03 0.00 -1.10 0.00 0.00 41.96 39.99 3ekf s TYR 334 CO -0.01 0.10 1.40 0.00 -2.51 0.00 0.00 175.55 174.53 3ekf s ALA 335 N -1.15 3.62 0.24 9.51 0.00 -0.37 -1.82 121.76 131.79 3ekf s ALA 335 Ca 0.01 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 3ekf s ALA 335 Cb -0.10 -3.68 0.24 0.00 0.00 0.00 0.00 23.12 19.59 3ekf s ALA 335 CO 0.03 -1.31 1.76 0.87 0.00 0.00 0.00 175.76 177.11 3ekf h LYS 336 N 8.79 0.99 -4.77 0.00 1.57 -1.22 -0.08 116.57 121.84 3ekf h LYS 336 Ca -0.31 -0.23 -0.32 0.00 -1.87 0.00 0.00 60.65 57.92 3ekf h LYS 336 Cb 1.13 -0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.16 3ekf h LYS 336 CO 0.97 0.89 -0.60 -1.21 -0.57 0.00 0.00 179.45 178.92 3ekf s GLU 337 N -5.23 1.37 0.23 3.15 0.41 -1.26 -4.72 118.70 112.64 3ekf s GLU 337 Ca -0.11 -1.74 -0.31 0.00 -0.41 0.00 0.00 54.97 52.40 3ekf s GLU 337 Cb 0.15 -0.02 -0.14 0.00 -1.78 0.00 0.00 34.13 32.34 3ekf s GLU 337 CO 0.83 -0.36 1.19 -0.25 -0.49 0.00 0.00 175.26 176.17 3ekf n ASP 338 N -0.49 1.75 -3.85 -0.19 8.00 -1.26 -4.17 116.55 116.33 3ekf n ASP 338 Ca 0.01 1.16 -0.07 0.00 0.71 0.00 0.00 54.79 56.60 3ekf n ASP 338 Cb 0.66 -1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 40.44 3ekf n ASP 338 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3ekf s THR 339 N -0.43 0.00 -0.11 -3.53 -1.32 -0.22 -4.91 115.64 105.11 3ekf s THR 339 Ca 0.67 -1.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 3ekf s THR 339 Cb -0.75 -2.01 -0.01 0.00 -1.51 0.00 0.00 72.50 68.23 3ekf s THR 339 CO 0.54 0.00 -0.18 -0.69 -2.21 0.00 0.00 174.62 172.08 3ekf s VAL 340 N -3.91 2.64 -0.18 5.08 1.01 -1.26 0.59 120.40 124.36 3ekf s VAL 340 Ca 0.11 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3ekf s VAL 340 Cb -0.06 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3ekf s VAL 340 CO 0.07 0.55 0.11 -0.22 0.00 0.00 0.00 175.10 175.61 3ekf s LEU 341 N 0.20 4.14 -1.44 3.92 2.96 0.16 -4.46 118.68 124.16 3ekf s LEU 341 Ca -0.11 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3ekf s LEU 341 Cb -0.16 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3ekf s LEU 341 CO 0.06 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 3ekf n GLY 342 N 3.29 1.32 2.50 7.98 0.00 -1.26 -0.91 105.19 118.10 3ekf n GLY 342 Ca -0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 3ekf n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekf n GLY 343 N -0.11 0.64 0.00 -0.02 0.00 -1.26 -4.73 105.19 99.71 3ekf n GLY 343 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3ekf n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ekf n GLU 344 N -1.41 0.30 -3.88 1.61 1.02 -0.80 -4.70 120.64 112.79 3ekf n GLU 344 Ca -0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.75 3ekf n GLU 344 Cb 0.34 -0.54 -0.13 0.00 -0.02 0.00 0.00 31.44 31.09 3ekf n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ekf s TYR 345 N -1.08 3.64 0.25 -0.32 2.02 -0.09 -1.42 117.35 120.35 3ekf s TYR 345 Ca 0.00 -2.62 -0.30 0.00 -0.37 0.00 0.00 57.07 53.78 3ekf s TYR 345 Cb 0.00 -3.05 -0.10 0.00 -0.40 0.00 0.00 41.96 38.41 3ekf s TYR 345 CO 0.00 -0.96 1.42 -1.25 -1.57 0.00 0.00 175.55 173.19 3ekf s PRO 346 N 1.05 4.29 0.04 -1.71 0.04 -1.26 0.38 135.00 137.83 3ekf s PRO 346 Ca 0.08 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.45 3ekf s PRO 346 Cb -0.21 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 3ekf s PRO 346 CO -0.06 -0.39 -0.18 -0.51 0.04 0.00 0.00 177.00 175.90 3ekf s LEU 347 N -0.40 2.17 0.11 -3.56 1.43 0.20 -4.91 118.68 113.72 3ekf s LEU 347 Ca 0.58 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3ekf s LEU 347 Cb -0.41 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 3ekf s LEU 347 CO 0.43 0.12 0.25 -1.61 0.23 0.00 0.00 176.35 175.77 3ekf s GLU 348 N -1.15 3.44 0.13 1.70 2.02 -1.26 -1.06 118.70 122.52 3ekf s GLU 348 Ca 0.06 -0.54 -0.34 0.00 0.02 0.00 0.00 54.97 54.16 3ekf s GLU 348 Cb -0.08 -2.99 -0.17 0.00 0.10 0.00 0.00 34.13 30.99 3ekf s GLU 348 CO 0.02 0.56 1.14 1.17 0.02 0.00 0.00 175.26 178.16 3ekf n LYS 349 N -0.22 0.92 0.00 1.61 4.81 -1.26 -1.02 118.16 123.00 3ekf n LYS 349 Ca -0.06 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3ekf n LYS 349 Cb 0.53 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.76 3ekf n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ekf n GLY 350 N 2.04 2.52 3.75 3.14 0.00 -0.04 -4.95 105.19 111.64 3ekf n GLY 350 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ekf n GLY 350 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ekf n ASP 351 N 0.00 3.69 -4.87 1.61 8.00 -0.19 -4.58 116.55 120.21 3ekf n ASP 351 Ca 0.00 1.18 -0.32 0.00 0.71 0.00 0.00 54.79 56.36 3ekf n ASP 351 Cb 0.00 -1.59 -0.05 0.00 -0.02 0.00 0.00 41.12 39.46 3ekf n ASP 351 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ekf s GLU 352 N -1.20 3.29 0.03 -1.24 2.02 -1.26 -1.23 118.70 119.11 3ekf s GLU 352 Ca 0.60 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 55.17 3ekf s GLU 352 Cb -0.50 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3ekf s GLU 352 CO 0.55 0.63 -0.12 -0.51 0.02 0.00 0.00 175.26 175.83 3ekf s LEU 353 N -2.23 2.15 -0.07 1.80 1.43 0.12 -2.23 118.68 119.65 3ekf s LEU 353 Ca 0.30 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3ekf s LEU 353 Cb -0.13 -0.50 -0.00 0.00 0.03 0.00 0.00 46.19 45.59 3ekf s LEU 353 CO 0.23 0.02 -0.21 -0.32 0.23 0.00 0.00 176.35 176.29 3ekf s MET 354 N -0.99 2.49 -0.36 1.70 1.75 0.40 -0.29 119.30 123.99 3ekf s MET 354 Ca 0.00 -0.76 -0.18 0.00 -1.25 0.00 0.00 55.69 53.50 3ekf s MET 354 Cb -0.07 -1.99 -0.00 0.00 2.84 0.00 0.00 34.83 35.61 3ekf s MET 354 CO 0.01 0.22 0.48 0.08 -0.65 0.00 0.00 175.02 175.15 3ekf s VAL 355 N 0.21 5.05 -1.06 10.11 1.01 0.21 -1.23 120.40 134.69 3ekf s VAL 355 Ca -0.12 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 3ekf s VAL 355 Cb -0.15 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.36 3ekf s VAL 355 CO 0.06 -0.24 1.39 -0.22 0.00 0.00 0.00 175.10 176.09 3ekf s LEU 356 N 2.31 4.26 0.22 3.92 2.96 -0.81 -3.03 118.68 128.50 3ekf s LEU 356 Ca 0.17 -2.01 -0.09 0.00 -0.22 0.00 0.00 54.13 51.97 3ekf s LEU 356 Cb -0.16 -2.49 0.22 0.00 0.50 0.00 0.00 46.19 44.26 3ekf s LEU 356 CO 0.13 -1.21 1.85 0.40 -1.32 0.00 0.00 176.35 176.20 3ekf h ILE 357 N 6.00 1.07 -0.00 6.68 2.04 -1.53 -0.46 117.51 131.31 3ekf h ILE 357 Ca 0.24 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3ekf h ILE 357 Cb 0.97 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3ekf h ILE 357 CO 1.31 0.16 -0.09 -0.65 0.00 0.00 0.00 178.15 178.87 3ekf h PRO 358 N 0.87 0.01 -0.11 2.37 0.11 -1.88 -1.11 132.00 132.25 3ekf h PRO 358 Ca 0.30 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.25 3ekf h PRO 358 Cb 0.07 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.18 3ekf h PRO 358 CO -0.13 0.10 -0.57 0.37 -0.21 0.00 0.00 178.00 177.56 3ekf h GLN 359 N 0.01 0.58 -0.87 1.05 5.75 -1.61 -2.98 115.11 117.04 3ekf h GLN 359 Ca 0.00 -0.48 0.19 0.00 -0.15 0.00 0.00 58.65 58.21 3ekf h GLN 359 Cb 0.17 0.10 -0.11 0.00 1.07 0.00 0.00 27.48 28.71 3ekf h GLN 359 CO 0.01 1.10 0.40 1.25 -2.65 0.00 0.00 178.83 178.95 3ekf h LEU 360 N 0.21 0.40 0.00 -2.39 5.85 -0.38 -1.34 115.31 117.65 3ekf h LEU 360 Ca -0.04 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ekf h LEU 360 Cb 1.21 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ekf h LEU 360 CO 0.12 0.09 0.00 1.41 -0.34 0.00 0.00 178.44 179.71 3ekf n HIS 361 N -4.98 0.00 -0.46 1.25 8.25 -0.49 -2.18 115.22 116.62 3ekf n HIS 361 Ca 0.20 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.71 3ekf n HIS 361 Cb 0.56 -0.03 0.14 0.00 1.12 0.00 0.00 29.99 31.77 3ekf n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ekf n ARG 362 N -1.03 2.68 -1.96 -0.41 1.74 -0.51 -4.88 116.66 112.29 3ekf n ARG 362 Ca 0.21 -2.17 -0.42 0.00 -0.77 0.00 0.00 57.85 54.70 3ekf n ARG 362 Cb 0.12 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3ekf n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ekf s ASP 363 N -1.50 5.70 0.45 0.55 -1.08 -0.92 -4.86 116.67 115.01 3ekf s ASP 363 Ca 0.23 1.19 0.18 0.00 -0.52 0.00 0.00 52.55 53.62 3ekf s ASP 363 Cb 0.16 -2.52 1.04 0.00 -1.46 0.00 0.00 42.92 40.14 3ekf s ASP 363 CO 0.08 -1.88 1.96 0.11 0.52 0.00 0.00 175.17 175.96 3ekf h LYS 364 N 13.64 0.00 0.00 4.34 1.57 -1.92 -0.85 116.57 133.36 3ekf h LYS 364 Ca -0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3ekf h LYS 364 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3ekf h LYS 364 CO 1.06 0.22 -0.01 1.79 -0.57 0.00 0.00 179.45 181.94 3ekf h THR 365 N 0.00 0.06 0.00 -0.16 1.35 -1.89 -1.04 112.91 111.24 3ekf h THR 365 Ca -0.00 -0.26 -0.43 0.00 -0.55 0.00 0.00 66.41 65.17 3ekf h THR 365 Cb 0.43 1.24 -0.07 0.00 -1.73 0.00 0.00 68.15 68.03 3ekf h THR 365 CO 0.03 0.01 -2.45 -0.38 -0.25 0.00 0.00 175.52 172.48 3ekf n ILE 366 N -3.15 1.42 0.97 6.82 2.08 -0.49 -4.77 119.36 122.25 3ekf n ILE 366 Ca -0.01 -0.39 0.11 0.00 0.56 0.00 0.00 62.75 63.01 3ekf n ILE 366 Cb 0.18 -1.77 0.02 0.00 -0.75 0.00 0.00 39.64 37.32 3ekf n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 3ekf n TRP 367 N -4.00 0.01 -1.04 1.39 7.02 -0.44 -5.01 117.44 115.37 3ekf n TRP 367 Ca -0.50 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.98 3ekf n TRP 367 Cb 0.88 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.66 3ekf n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ekf n GLY 368 N 1.49 -2.62 2.04 6.99 0.00 -0.40 -4.67 105.19 108.03 3ekf n GLY 368 Ca 0.04 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 3ekf n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ekf n ASP 369 N -0.07 5.56 -2.43 1.61 3.85 -1.26 -4.27 116.55 119.54 3ekf n ASP 369 Ca 0.00 -3.76 -0.18 0.00 -0.71 0.00 0.00 54.79 50.15 3ekf n ASP 369 Cb 0.00 -0.75 0.02 0.00 -1.35 0.00 0.00 41.12 39.05 3ekf n ASP 369 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3ekf n ASP 370 N -0.94 3.62 0.25 -1.12 8.00 -1.26 -4.91 116.55 120.19 3ekf n ASP 370 Ca 0.53 -3.23 0.12 0.00 0.71 0.00 0.00 54.79 52.92 3ekf n ASP 370 Cb 0.95 -0.44 0.66 0.00 -0.02 0.00 0.00 41.12 42.27 3ekf n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3ekf h VAL 371 N 3.09 0.53 0.00 2.53 -1.51 -1.88 -2.27 116.25 116.74 3ekf h VAL 371 Ca 0.17 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3ekf h VAL 371 Cb 1.24 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3ekf h VAL 371 CO 0.63 0.14 -0.16 -0.62 -1.23 0.00 0.00 177.57 176.33 3ekf n GLU 372 N -3.53 0.25 -2.49 5.19 -0.58 -1.26 -4.88 120.64 113.33 3ekf n GLU 372 Ca -0.01 0.17 -0.38 0.00 -0.42 0.00 0.00 57.16 56.52 3ekf n GLU 372 Cb 0.30 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.37 3ekf n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3ekf s GLU 373 N -3.11 4.26 -0.64 3.49 0.41 -0.86 -5.00 118.70 117.26 3ekf s GLU 373 Ca 0.10 1.62 -0.18 0.00 -0.41 0.00 0.00 54.97 56.10 3ekf s GLU 373 Cb 0.13 -2.72 0.12 0.00 -1.78 0.00 0.00 34.13 29.88 3ekf s GLU 373 CO 0.63 -0.08 0.74 0.12 -0.49 0.00 0.00 175.26 176.18 3ekf s PHE 374 N -1.50 3.08 -0.45 1.61 5.36 -1.26 -4.97 117.98 119.85 3ekf s PHE 374 Ca 0.54 -1.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.44 3ekf s PHE 374 Cb -0.26 -4.02 0.13 0.00 -0.34 0.00 0.00 43.02 38.54 3ekf s PHE 374 CO 0.32 -1.28 0.24 1.03 -1.46 0.00 0.00 175.22 174.06 3ekf s ARG 375 N 2.45 1.37 0.47 10.12 0.52 -1.26 -5.00 118.95 127.63 3ekf s ARG 375 Ca 0.14 -2.07 0.13 0.00 -0.52 0.00 0.00 55.73 53.41 3ekf s ARG 375 Cb -0.21 -2.48 1.10 0.00 0.52 0.00 0.00 34.95 33.88 3ekf s ARG 375 CO 0.03 -1.15 2.09 -1.35 0.02 0.00 0.00 175.30 174.95 3ekf h PRO 376 N 6.74 0.24 0.00 3.54 0.11 -1.93 -2.26 132.00 138.44 3ekf h PRO 376 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3ekf h PRO 376 Cb 0.93 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ekf h PRO 376 CO 0.51 0.16 0.26 0.93 -0.21 0.00 0.00 178.00 179.65 3ekf h GLU 377 N 0.25 0.00 -0.52 1.05 3.07 -1.94 0.79 114.58 117.27 3ekf h GLU 377 Ca 0.10 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.11 3ekf h GLU 377 Cb 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3ekf h GLU 377 CO -0.02 0.00 0.49 0.00 -1.40 0.00 0.00 179.01 178.08 3ekf h ARG 378 N 0.00 0.00 -0.66 2.33 3.08 -1.81 -1.34 114.38 115.98 3ekf h ARG 378 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ekf h ARG 378 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3ekf h ARG 378 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3ekf n PHE 379 N -3.87 1.48 -0.12 3.04 3.01 0.27 -4.61 117.46 116.66 3ekf n PHE 379 Ca 0.10 -0.59 -0.05 0.00 1.01 0.00 0.00 57.45 57.92 3ekf n PHE 379 Cb 0.70 -0.25 0.01 0.00 -0.01 0.00 0.00 39.48 39.94 3ekf n PHE 379 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3ekf h GLU 380 N 4.03 -0.00 -3.12 -1.08 4.57 -1.39 -3.33 114.58 114.26 3ekf h GLU 380 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 3ekf h GLU 380 Cb 1.44 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.62 3ekf h GLU 380 CO 0.23 -0.00 -0.70 -0.80 -1.18 0.00 0.00 179.01 176.56 3ekf s ASN 381 N -5.22 3.87 0.41 1.04 -0.87 -1.26 -5.02 114.94 107.90 3ekf s ASN 381 Ca -0.14 -2.75 0.15 0.00 -1.57 0.00 0.00 52.86 48.55 3ekf s ASN 381 Cb 0.14 -1.24 0.90 0.00 -0.02 0.00 0.00 41.25 41.03 3ekf s ASN 381 CO 0.71 -0.26 1.91 -0.65 -2.57 0.00 0.00 177.10 176.24 3ekf h PRO 382 N 6.66 0.00 -0.08 -0.60 0.11 -1.89 -2.55 132.00 133.65 3ekf h PRO 382 Ca -0.03 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.10 3ekf h PRO 382 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3ekf h PRO 382 CO 0.55 0.28 0.20 0.66 -0.21 0.00 0.00 178.00 179.48 3ekf h SER 383 N 0.00 0.00 0.36 -2.05 4.64 -1.95 0.61 113.55 115.16 3ekf h SER 383 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3ekf h SER 383 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3ekf h SER 383 CO 0.04 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 175.58 3ekf h ALA 384 N 1.67 1.25 -2.44 5.18 0.00 -1.89 -3.44 119.26 119.60 3ekf h ALA 384 Ca 0.04 -0.39 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 3ekf h ALA 384 Cb 0.44 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ekf h ALA 384 CO -0.00 0.54 0.95 0.42 0.00 0.00 0.00 179.25 181.16 3ekf s ILE 385 N -4.11 3.18 0.91 0.00 1.01 0.20 -4.96 121.20 117.43 3ekf s ILE 385 Ca -0.03 0.63 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 3ekf s ILE 385 Cb 0.14 -3.41 0.09 0.00 0.01 0.00 0.00 42.46 39.29 3ekf s ILE 385 CO 0.74 0.00 0.85 -2.65 0.00 0.00 0.00 174.94 173.89 3ekf n PRO 386 N 5.43 -0.28 -2.48 2.79 -0.02 -1.26 -4.93 135.00 134.25 3ekf n PRO 386 Ca 0.15 -0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3ekf n PRO 386 Cb 0.41 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3ekf n PRO 386 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3ekf s GLN 387 N -4.10 4.61 -0.33 -0.52 0.00 -1.26 -2.96 119.66 115.10 3ekf s GLN 387 Ca 0.64 1.78 0.00 0.00 -0.00 0.00 0.00 55.36 57.78 3ekf s GLN 387 Cb -0.24 -3.23 0.00 0.00 0.00 0.00 0.00 33.01 29.55 3ekf s GLN 387 CO 0.61 0.14 0.00 0.72 0.00 0.00 0.00 175.29 176.76 3ekf n HIS 388 N 1.74 0.00 0.04 9.60 8.25 -1.26 -4.88 115.22 128.71 3ekf n HIS 388 Ca 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3ekf n HIS 388 Cb 0.45 -1.27 -0.09 0.00 1.12 0.00 0.00 29.99 30.20 3ekf n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ekf h ALA 389 N 0.00 0.60 -3.56 -1.41 0.00 -1.89 -3.43 119.26 109.57 3ekf h ALA 389 Ca -0.06 -1.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.22 3ekf h ALA 389 Cb 0.54 0.15 -0.39 0.00 0.00 0.00 0.00 17.79 18.09 3ekf h ALA 389 CO 0.09 1.18 -0.75 0.12 0.00 0.00 0.00 179.25 179.89 3ekf s PHE 390 N -2.76 2.83 -0.34 0.00 5.36 -1.26 -4.49 117.98 117.31 3ekf s PHE 390 Ca -0.01 -2.28 0.13 0.00 -0.96 0.00 0.00 56.93 53.80 3ekf s PHE 390 Cb 0.09 -2.16 0.46 0.00 -0.34 0.00 0.00 43.02 41.06 3ekf s PHE 390 CO 0.81 -0.88 1.07 1.63 -1.46 0.00 0.00 175.22 176.39 3ekf n LYS 391 N 4.53 2.41 0.14 10.12 5.02 -1.26 -4.88 118.16 134.24 3ekf n LYS 391 Ca -0.04 -3.86 0.12 0.00 -2.02 0.00 0.00 58.31 52.51 3ekf n LYS 391 Cb 0.43 -1.81 0.51 0.00 -0.02 0.00 0.00 35.03 34.14 3ekf n LYS 391 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ekf n PRO 392 N -0.40 0.20 -0.35 1.97 -0.04 -1.26 -2.26 135.00 132.85 3ekf n PRO 392 Ca 0.24 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 64.23 3ekf n PRO 392 Cb 0.79 -1.90 0.22 0.00 -0.04 0.00 0.00 33.50 32.58 3ekf n PRO 392 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ekf n PHE 393 N -2.27 0.79 -2.74 0.54 3.72 -1.26 -4.74 117.46 111.50 3ekf n PHE 393 Ca 0.02 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 3ekf n PHE 393 Cb 0.21 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3ekf n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ekf n GLY 394 N -0.08 -1.45 2.90 1.37 0.00 -0.96 -0.03 105.19 106.93 3ekf n GLY 394 Ca 0.18 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3ekf n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ekf s ASN 395 N -4.00 0.17 0.55 1.61 2.47 -1.26 -4.84 114.94 109.64 3ekf s ASN 395 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.23 3ekf s ASN 395 Cb 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 3ekf s ASN 395 CO 0.00 -0.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.99 3ekf n GLY 396 N 2.96 1.67 0.20 1.21 0.00 -1.26 -1.89 105.19 108.08 3ekf n GLY 396 Ca -0.13 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.39 3ekf n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3ekf h GLN 397 N 0.00 0.00 -0.67 1.61 3.07 -2.00 -2.77 115.11 114.35 3ekf h GLN 397 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.66 3ekf h GLN 397 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 3ekf h GLN 397 CO 0.00 0.00 0.10 0.54 0.09 0.00 0.00 178.83 179.56 3ekf n ARG 398 N -2.71 4.32 -1.39 0.06 5.12 -1.04 -4.97 116.66 116.06 3ekf n ARG 398 Ca 0.03 -2.99 -0.30 0.00 -1.93 0.00 0.00 57.85 52.66 3ekf n ARG 398 Cb 0.35 -2.22 0.10 0.00 -1.16 0.00 0.00 32.46 29.53 3ekf n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ekf s ALA 399 N -2.76 2.05 -0.17 7.54 0.00 -0.79 -4.40 121.76 123.22 3ekf s ALA 399 Ca 0.52 -0.05 -0.37 0.00 0.00 0.00 0.00 51.96 52.06 3ekf s ALA 399 Cb 0.41 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 20.22 3ekf s ALA 399 CO 0.14 -1.90 1.78 0.00 0.00 0.00 0.00 175.76 175.78 3ekf h ILE 401 N 5.18 0.81 -0.50 0.00 2.10 -1.91 -3.31 117.51 119.88 3ekf h ILE 401 Ca -0.47 -1.84 0.00 0.00 1.08 0.00 0.00 64.86 63.62 3ekf h ILE 401 Cb 1.30 2.18 0.00 0.00 -1.09 0.00 0.00 36.82 39.21 3ekf h ILE 401 CO 0.95 0.41 0.00 0.61 -1.08 0.00 0.00 178.15 179.04 3ekf n GLY 402 N 0.78 1.88 0.16 8.18 0.00 -1.26 -4.66 105.19 110.27 3ekf n GLY 402 Ca 0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 3ekf n GLY 402 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ekf h GLN 403 N 3.07 0.19 -0.06 1.61 4.15 -1.97 -0.70 115.11 121.40 3ekf h GLN 403 Ca 0.00 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 3ekf h GLN 403 Cb 1.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 3ekf h GLN 403 CO 0.12 0.12 -0.61 1.96 -1.93 0.00 0.00 178.83 178.50 3ekf h GLN 404 N 0.19 0.20 0.24 1.69 7.50 -1.91 -1.94 115.11 121.08 3ekf h GLN 404 Ca 0.18 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 3ekf h GLN 404 Cb 0.21 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.76 3ekf h GLN 404 CO -0.23 0.75 -0.11 0.35 -1.50 0.00 0.00 178.83 178.08 3ekf h PHE 405 N 0.15 -0.30 -0.50 2.96 3.04 -1.73 -1.65 116.94 118.92 3ekf h PHE 405 Ca -0.01 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.97 3ekf h PHE 405 Cb 1.11 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 3ekf h PHE 405 CO 0.02 -0.13 0.28 0.00 -2.02 0.00 0.00 178.31 176.45 3ekf h ALA 406 N 0.37 0.63 -0.18 2.41 0.00 -1.01 -1.45 119.26 120.02 3ekf h ALA 406 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ekf h ALA 406 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ekf h ALA 406 CO 0.05 -0.04 -0.56 -0.07 0.00 0.00 0.00 179.25 178.63 3ekf h LEU 407 N 0.55 0.62 0.03 0.00 3.38 -1.35 -0.45 115.31 118.09 3ekf h LEU 407 Ca 0.21 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ekf h LEU 407 Cb 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ekf h LEU 407 CO -0.11 1.05 -0.01 -0.74 0.09 0.00 0.00 178.44 178.72 3ekf h HIS 408 N 0.43 -0.04 -0.26 1.13 2.76 -1.16 -0.44 115.15 117.57 3ekf h HIS 408 Ca 0.01 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 3ekf h HIS 408 Cb 1.11 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.02 3ekf h HIS 408 CO 0.05 0.17 -0.12 1.49 -1.30 0.00 0.00 177.93 178.22 3ekf h GLU 409 N -0.24 -0.08 -0.53 5.26 4.81 -1.21 -0.75 114.58 121.84 3ekf h GLU 409 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3ekf h GLU 409 Cb 0.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3ekf h GLU 409 CO 0.01 -0.05 0.04 0.00 -0.73 0.00 0.00 179.01 178.27 3ekf h ALA 410 N 1.13 0.71 -0.27 2.92 0.00 -1.06 -1.29 119.26 121.40 3ekf h ALA 410 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ekf h ALA 410 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ekf h ALA 410 CO -0.31 0.49 0.08 1.15 0.00 0.00 0.00 179.25 180.66 3ekf h THR 411 N 0.78 1.20 0.02 0.00 2.02 -0.95 0.81 112.91 116.79 3ekf h THR 411 Ca 0.15 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.72 3ekf h THR 411 Cb 0.48 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3ekf h THR 411 CO 0.02 0.21 -0.10 0.25 0.37 0.00 0.00 175.52 176.27 3ekf h LEU 412 N 0.27 -0.28 -0.14 2.58 5.85 -1.07 0.11 115.31 122.62 3ekf h LEU 412 Ca 0.09 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ekf h LEU 412 Cb 0.24 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3ekf h LEU 412 CO -0.00 -0.15 0.06 0.58 -0.34 0.00 0.00 178.44 178.58 3ekf h VAL 413 N -0.18 1.16 -0.66 1.05 2.07 -1.19 -2.00 116.25 116.49 3ekf h VAL 413 Ca 0.03 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3ekf h VAL 413 Cb 0.22 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3ekf h VAL 413 CO -0.09 0.15 0.10 0.25 0.02 0.00 0.00 177.57 178.00 3ekf h LEU 414 N 0.07 1.05 -0.35 2.57 5.85 -0.74 -1.45 115.31 122.30 3ekf h LEU 414 Ca 0.05 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.58 3ekf h LEU 414 Cb 0.18 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3ekf h LEU 414 CO -0.00 1.04 -0.07 1.23 -0.34 0.00 0.00 178.44 180.31 3ekf h GLY 415 N 1.05 0.28 1.17 3.75 0.00 -0.70 -1.13 103.07 107.47 3ekf h GLY 415 Ca 0.20 0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 3ekf h GLY 415 CO 0.01 -0.12 -0.07 -0.33 0.00 0.00 0.00 176.54 176.04 3ekf h MET 416 N 0.02 0.98 -0.35 4.80 2.86 -1.02 -1.21 114.93 121.01 3ekf h MET 416 Ca 0.17 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3ekf h MET 416 Cb 0.25 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3ekf h MET 416 CO -0.34 1.01 0.11 0.52 1.06 0.00 0.00 176.91 179.27 3ekf h MET 417 N 0.89 0.25 -0.03 1.72 2.07 -0.96 -1.35 114.93 117.52 3ekf h MET 417 Ca 0.15 -0.02 -0.14 0.00 -2.07 0.00 0.00 59.70 57.63 3ekf h MET 417 Cb 0.61 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 3ekf h MET 417 CO 0.04 0.17 -0.61 -0.07 1.07 0.00 0.00 176.91 177.51 3ekf h LEU 418 N 0.26 0.11 -0.34 1.22 3.38 -1.02 -1.45 115.31 117.47 3ekf h LEU 418 Ca 0.16 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ekf h LEU 418 Cb 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ekf h LEU 418 CO -0.17 0.69 0.04 0.50 0.09 0.00 0.00 178.44 179.59 3ekf h LYS 419 N 0.07 0.58 0.00 1.13 3.64 -1.03 -3.37 116.57 117.59 3ekf h LYS 419 Ca -0.01 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ekf h LYS 419 Cb 1.09 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3ekf h LYS 419 CO 0.09 0.67 -1.16 0.72 -2.27 0.00 0.00 179.45 177.50 3ekf n HIS 420 N -4.56 0.65 -4.07 1.91 8.25 -0.52 -4.85 115.22 112.02 3ekf n HIS 420 Ca -0.02 0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.53 3ekf n HIS 420 Cb 0.24 -0.77 -0.11 0.00 1.12 0.00 0.00 29.99 30.47 3ekf n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ekf s PHE 421 N -3.35 0.59 -0.12 4.41 0.08 -0.57 -0.68 117.98 118.34 3ekf s PHE 421 Ca -0.01 -0.69 -0.06 0.00 0.12 0.00 0.00 56.93 56.29 3ekf s PHE 421 Cb 0.11 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 3ekf s PHE 421 CO 0.81 -0.17 0.10 -0.51 -0.10 0.00 0.00 175.22 175.34 3ekf s ASP 422 N -2.09 6.02 -0.07 1.36 1.01 0.29 -4.64 116.67 118.55 3ekf s ASP 422 Ca -0.04 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.56 3ekf s ASP 422 Cb -0.04 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3ekf s ASP 422 CO -0.03 0.36 -0.06 -0.36 0.21 0.00 0.00 175.17 175.30 3ekf s PHE 423 N -0.75 2.97 -0.11 4.23 0.08 -1.26 0.36 117.98 123.50 3ekf s PHE 423 Ca 0.13 0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.26 3ekf s PHE 423 Cb -0.12 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3ekf s PHE 423 CO 0.03 0.35 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.30 3ekf s GLU 424 N -0.84 2.72 -1.34 0.44 2.12 0.81 -4.97 118.70 117.63 3ekf s GLU 424 Ca 0.13 -0.76 -0.16 0.00 0.36 0.00 0.00 54.97 54.54 3ekf s GLU 424 Cb -0.11 -2.14 0.07 0.00 0.26 0.00 0.00 34.13 32.21 3ekf s GLU 424 CO 0.02 0.07 1.87 -3.47 -0.54 0.00 0.00 175.26 173.21 3ekf n ASP 425 N 3.81 4.64 0.18 -1.70 2.03 -1.26 -1.44 116.55 122.81 3ekf n ASP 425 Ca -0.20 -2.90 0.13 0.00 0.52 0.00 0.00 54.79 52.34 3ekf n ASP 425 Cb 0.52 -1.71 0.42 0.00 -0.72 0.00 0.00 41.12 39.63 3ekf n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3ekf h HIS 426 N 7.04 0.00 -0.24 -0.67 2.07 -1.93 -2.44 115.15 118.98 3ekf h HIS 426 Ca 0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 3ekf h HIS 426 Cb 0.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 3ekf h HIS 426 CO 1.42 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 176.53 3ekf n THR 427 N -2.65 0.52 -3.65 6.12 -2.24 -1.26 -4.99 114.28 106.12 3ekf n THR 427 Ca 0.03 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 3ekf n THR 427 Cb 0.39 0.88 0.04 0.00 -2.10 0.00 0.00 70.33 69.55 3ekf n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ekf n ASN 428 N 0.80 -5.23 -4.70 3.42 5.15 -0.92 -4.78 115.26 109.00 3ekf n ASN 428 Ca 0.12 -0.99 -0.44 0.00 -0.60 0.00 0.00 54.58 52.67 3ekf n ASN 428 Cb 0.42 -3.53 -0.03 0.00 -0.53 0.00 0.00 39.78 36.11 3ekf n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ekf n TYR 429 N -4.12 2.53 -3.36 1.20 9.36 -1.26 -4.96 117.16 116.54 3ekf n TYR 429 Ca -0.10 0.21 -0.39 0.00 3.32 0.00 0.00 57.90 60.94 3ekf n TYR 429 Cb 0.60 -2.59 -0.09 0.00 -0.63 0.00 0.00 39.34 36.63 3ekf n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3ekf s GLU 430 N 0.60 4.04 -0.00 2.98 2.12 -1.26 -5.03 118.70 122.14 3ekf s GLU 430 Ca 0.74 0.10 -0.35 0.00 0.36 0.00 0.00 54.97 55.81 3ekf s GLU 430 Cb -0.58 -3.65 -0.14 0.00 0.26 0.00 0.00 34.13 30.02 3ekf s GLU 430 CO 0.39 -0.27 1.68 -0.11 -0.54 0.00 0.00 175.26 176.41 3ekf n LEU 431 N 5.30 2.91 -3.68 2.70 7.94 -1.26 -4.96 117.00 125.95 3ekf n LEU 431 Ca -0.08 1.05 -0.28 0.00 -1.11 0.00 0.00 56.01 55.59 3ekf n LEU 431 Cb 0.51 -1.33 -0.16 0.00 0.53 0.00 0.00 43.42 42.96 3ekf n LEU 431 CO 0.38 -0.34 -0.35 -0.62 -1.11 0.00 0.00 177.39 175.35 3ekf s ASP 432 N 2.37 3.08 -0.43 1.96 2.15 -1.26 -5.07 116.67 119.46 3ekf s ASP 432 Ca 0.87 -0.98 -0.18 0.00 0.43 0.00 0.00 52.55 52.69 3ekf s ASP 432 Cb -0.78 -0.53 0.02 0.00 -0.30 0.00 0.00 42.92 41.33 3ekf s ASP 432 CO 0.48 -0.35 0.49 -0.63 -0.17 0.00 0.00 175.17 174.99 3ekf s ILE 433 N 1.91 5.02 0.17 4.11 1.01 -1.26 -0.07 121.20 132.10 3ekf s ILE 433 Ca 0.03 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3ekf s ILE 433 Cb -0.17 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 3ekf s ILE 433 CO -0.15 -0.48 0.92 -0.75 0.00 0.00 0.00 174.94 174.48 3ekf s LYS 434 N 2.30 4.75 -0.17 2.79 2.20 -0.25 -4.91 119.74 126.45 3ekf s LYS 434 Ca 0.14 1.42 -0.00 0.00 -0.36 0.00 0.00 55.97 57.17 3ekf s LYS 434 Cb -0.17 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 3ekf s LYS 434 CO 0.15 0.40 -0.15 -1.21 -0.36 0.00 0.00 175.35 174.18 3ekf s GLU 435 N -0.67 3.20 -0.32 4.03 2.02 -1.26 -2.23 118.70 123.47 3ekf s GLU 435 Ca 0.43 -0.75 0.17 0.00 0.02 0.00 0.00 54.97 54.83 3ekf s GLU 435 Cb -0.24 -2.66 0.47 0.00 0.10 0.00 0.00 34.13 31.79 3ekf s GLU 435 CO 0.30 -0.05 1.03 0.25 0.02 0.00 0.00 175.26 176.82 3ekf n THR 436 N 4.24 1.38 -0.28 3.63 -2.24 -1.26 -4.88 114.28 114.87 3ekf n THR 436 Ca -0.19 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.21 3ekf n THR 436 Cb 0.51 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3ekf n THR 436 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ekf n LEU 437 N -0.32 0.52 -4.54 3.22 4.77 -1.26 -4.71 117.00 114.68 3ekf n LEU 437 Ca 0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 3ekf n LEU 437 Cb 0.80 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.94 3ekf n LEU 437 CO 0.23 -0.28 -0.38 0.42 -1.33 0.00 0.00 177.39 176.05 3ekf s THR 438 N -0.52 2.21 0.02 -5.08 -4.23 -1.26 -4.60 115.64 102.18 3ekf s THR 438 Ca 0.00 -2.20 0.04 0.00 -1.18 0.00 0.00 61.69 58.36 3ekf s THR 438 Cb 0.00 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 3ekf s THR 438 CO 0.00 -0.20 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.03 3ekf s LEU 439 N -3.61 3.06 -0.08 4.79 1.43 -0.43 -4.23 118.68 119.61 3ekf s LEU 439 Ca 0.32 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 3ekf s LEU 439 Cb 0.03 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.51 3ekf s LEU 439 CO 0.16 0.27 0.34 -0.54 0.23 0.00 0.00 176.35 176.81 3ekf s LYS 440 N -1.49 0.53 -0.88 1.70 1.02 -0.95 -4.52 119.74 115.14 3ekf s LYS 440 Ca 0.17 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 56.12 3ekf s LYS 440 Cb -0.11 0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.48 3ekf s LYS 440 CO 0.08 -0.11 1.42 -1.25 -0.92 0.00 0.00 175.35 174.57 3ekf s PRO 441 N -0.45 3.34 0.16 -1.68 0.04 -1.26 -1.09 135.00 134.06 3ekf s PRO 441 Ca -0.06 -0.65 -0.31 0.00 0.04 0.00 0.00 61.00 60.03 3ekf s PRO 441 Cb -0.04 -4.82 -0.09 0.00 0.04 0.00 0.00 34.50 29.59 3ekf s PRO 441 CO 0.02 -2.26 1.41 -2.00 0.04 0.00 0.00 177.00 174.21 3ekf s GLU 442 N 5.47 4.31 0.00 4.56 2.12 0.90 -2.40 118.70 133.66 3ekf s GLU 442 Ca 0.44 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.93 3ekf s GLU 442 Cb -0.04 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.15 3ekf s GLU 442 CO 0.02 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3ekf n GLY 443 N 3.10 0.50 3.68 -1.50 0.00 -1.26 -4.49 105.19 105.21 3ekf n GLY 443 Ca 0.10 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3ekf n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ekf s PHE 444 N -2.00 2.55 0.07 1.61 5.36 -1.01 -4.99 117.98 119.57 3ekf s PHE 444 Ca 0.00 0.58 0.04 0.00 -0.96 0.00 0.00 56.93 56.59 3ekf s PHE 444 Cb 0.00 -3.77 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 3ekf s PHE 444 CO 0.00 -3.02 -0.11 0.14 -1.46 0.00 0.00 175.22 170.77 3ekf s VAL 445 N 2.95 0.89 0.16 3.12 -7.23 -1.26 -1.53 120.40 117.49 3ekf s VAL 445 Ca 0.67 -1.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 3ekf s VAL 445 Cb -0.33 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 3ekf s VAL 445 CO 0.27 -0.36 0.21 0.68 -0.31 0.00 0.00 175.10 175.60 3ekf s VAL 446 N -1.59 0.07 -0.09 1.32 -7.23 -1.00 -4.63 120.40 107.25 3ekf s VAL 446 Ca -0.03 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.55 3ekf s VAL 446 Cb -0.08 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 3ekf s VAL 446 CO 0.01 -0.32 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.87 3ekf s LYS 447 N -4.01 2.96 -0.20 4.82 1.02 -0.52 -0.08 119.74 123.73 3ekf s LYS 447 Ca 0.21 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 3ekf s LYS 447 Cb 0.05 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3ekf s LYS 447 CO 0.02 0.56 -0.09 0.00 -0.92 0.00 0.00 175.35 174.92 3ekf s ALA 448 N -0.53 2.68 -0.32 5.17 0.00 -1.26 -0.14 121.76 127.36 3ekf s ALA 448 Ca 0.08 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 3ekf s ALA 448 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 3ekf s ALA 448 CO 0.02 -0.35 0.34 0.21 0.00 0.00 0.00 175.76 175.98 3ekf s LYS 449 N 1.33 3.68 0.30 0.00 2.36 0.16 -4.91 119.74 122.66 3ekf s LYS 449 Ca 0.04 -0.33 -0.29 0.00 -2.55 0.00 0.00 55.97 52.83 3ekf s LYS 449 Cb -0.14 -3.76 -0.11 0.00 -1.05 0.00 0.00 37.83 32.77 3ekf s LYS 449 CO -0.05 -0.44 1.47 0.45 1.55 0.00 0.00 175.35 178.33 3ekf s SER 450 N 1.72 6.52 0.00 1.43 0.15 -1.26 -0.55 113.70 121.71 3ekf s SER 450 Ca 0.12 2.84 0.21 0.00 0.70 0.00 0.00 55.95 59.81 3ekf s SER 450 Cb -0.16 -2.64 0.86 0.00 -1.71 0.00 0.00 66.02 62.37 3ekf s SER 450 CO 0.11 -0.77 1.61 0.29 1.20 0.00 0.00 173.24 175.68 3ekf n LYS 451 N 1.63 1.56 -3.79 5.44 5.02 0.15 -4.86 118.16 123.30 3ekf n LYS 451 Ca 0.05 -0.84 -0.25 0.00 -2.02 0.00 0.00 58.31 55.24 3ekf n LYS 451 Cb 0.39 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3ekf n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ekf n LYS 452 N 0.06 -5.33 -3.48 1.97 4.76 -1.26 -4.99 118.16 109.89 3ekf n LYS 452 Ca 0.16 0.62 -0.38 0.00 -2.87 0.00 0.00 58.31 55.84 3ekf n LYS 452 Cb 0.27 -5.35 -0.09 0.00 -1.84 0.00 0.00 35.03 28.02 3ekf n LYS 452 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ekf s ILE 453 N -3.49 5.25 0.70 -0.18 1.01 -1.26 -5.08 121.20 118.15 3ekf s ILE 453 Ca 0.33 0.48 -0.16 0.00 0.00 0.00 0.00 60.65 61.30 3ekf s ILE 453 Cb -0.16 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3ekf s ILE 453 CO 0.82 0.25 1.21 -2.84 0.00 0.00 0.00 174.94 174.38 3ekf s PRO 454 N 1.49 2.30 0.55 2.79 0.02 -1.26 -5.01 135.00 135.88 3ekf s PRO 454 Ca 0.14 1.78 0.04 0.00 0.02 0.00 0.00 61.00 62.98 3ekf s PRO 454 Cb -0.15 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.58 3ekf s PRO 454 CO 0.08 -1.72 0.77 -0.51 -0.33 0.00 0.00 177.00 175.29 3ekf s LEU 455 N -4.94 3.28 0.00 -5.54 2.01 -1.26 -4.86 118.68 107.37 3ekf s LEU 455 Ca 0.75 -0.30 0.04 0.00 0.01 0.00 0.00 54.13 54.63 3ekf s LEU 455 Cb -0.30 -2.47 0.03 0.00 0.01 0.00 0.00 46.19 43.47 3ekf s LEU 455 CO 0.43 -1.22 0.64 0.61 1.01 0.00 0.00 176.35 177.82