#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw3 n GLN 2 N 0.00 0.00 -2.18 4.33 7.27 -1.26 -4.06 117.38 121.48 2aw3 n GLN 2 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2aw3 n GLN 2 Cb 0.00 -1.00 0.01 0.00 2.41 0.00 0.00 30.24 31.66 2aw3 n GLN 2 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2aw3 s PRO 3 N 3.88 3.27 -0.25 3.69 0.02 -1.26 -4.93 135.00 139.42 2aw3 s PRO 3 Ca 0.79 1.55 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 2aw3 s PRO 3 Cb -1.00 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 2aw3 s PRO 3 CO 0.45 -0.90 0.11 0.42 -0.33 0.00 0.00 177.00 176.74 2aw3 s ILE 4 N -1.90 4.66 0.28 2.83 1.09 -1.26 -4.98 121.20 121.91 2aw3 s ILE 4 Ca 0.71 -0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.91 2aw3 s ILE 4 Cb -0.23 -3.19 -0.10 0.00 -1.06 0.00 0.00 42.46 37.89 2aw3 s ILE 4 CO 0.29 0.32 1.26 0.12 -0.10 0.00 0.00 174.94 176.84 2aw3 s PHE 5 N 1.58 3.23 -0.11 3.97 5.36 -1.26 -5.04 117.98 125.71 2aw3 s PHE 5 Ca 0.06 1.41 -0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2aw3 s PHE 5 Cb -0.15 -3.57 0.03 0.00 -0.34 0.00 0.00 43.02 38.99 2aw3 s PHE 5 CO 0.06 -1.59 -0.03 1.21 -1.46 0.00 0.00 175.22 173.41 2aw3 s ASN 6 N -0.29 2.05 0.25 6.13 3.84 -1.26 -5.04 114.94 120.62 2aw3 s ASN 6 Ca 0.51 -0.28 -0.03 0.00 0.21 0.00 0.00 52.86 53.26 2aw3 s ASN 6 Cb -0.37 -0.66 0.30 0.00 -0.55 0.00 0.00 41.25 39.97 2aw3 s ASN 6 CO 0.45 -0.17 1.78 -0.78 -2.79 0.00 0.00 177.10 175.59 2aw3 h ASP 7 N 8.24 0.86 -0.12 -4.21 3.58 -1.97 -1.72 116.42 121.08 2aw3 h ASP 7 Ca -0.24 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 2aw3 h ASP 7 Cb 1.13 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2aw3 h ASP 7 CO 0.34 0.86 0.04 0.50 -2.88 0.00 0.00 179.24 178.10 2aw3 h LYS 8 N 0.87 0.19 -0.90 0.28 3.64 -1.99 -1.08 116.57 117.58 2aw3 h LYS 8 Ca 0.18 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 2aw3 h LYS 8 Cb 0.36 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 2aw3 h LYS 8 CO 0.01 0.34 0.52 0.37 -2.27 0.00 0.00 179.45 178.41 2aw3 h GLN 9 N 0.02 0.78 -0.25 1.90 4.15 -1.94 -1.80 115.11 117.97 2aw3 h GLN 9 Ca 0.04 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2aw3 h GLN 9 Cb 0.22 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2aw3 h GLN 9 CO -0.00 0.51 0.06 0.35 -1.93 0.00 0.00 178.83 177.82 2aw3 h PHE 10 N 0.80 0.43 -0.25 3.99 3.57 -1.00 -1.03 116.94 123.45 2aw3 h PHE 10 Ca 0.46 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.94 2aw3 h PHE 10 Cb 0.53 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2aw3 h PHE 10 CO -0.05 0.50 0.06 1.96 -2.23 0.00 0.00 178.31 178.55 2aw3 h GLN 11 N 0.23 0.15 -0.60 1.11 1.08 -0.92 0.15 115.11 116.32 2aw3 h GLN 11 Ca 0.08 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2aw3 h GLN 11 Cb 0.29 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2aw3 h GLN 11 CO 0.00 0.10 0.30 0.93 -0.95 0.00 0.00 178.83 179.21 2aw3 h GLU 12 N 0.16 0.85 -0.66 1.46 5.08 -1.31 -1.24 114.58 118.92 2aw3 h GLU 12 Ca 0.11 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2aw3 h GLU 12 Cb 0.11 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2aw3 h GLU 12 CO -0.14 0.68 0.24 0.00 -1.00 0.00 0.00 179.01 178.79 2aw3 h ALA 13 N 1.13 1.17 -0.45 3.43 0.00 -0.93 -2.37 119.26 121.25 2aw3 h ALA 13 Ca 0.21 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2aw3 h ALA 13 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2aw3 h ALA 13 CO -0.03 0.59 -0.10 1.25 0.00 0.00 0.00 179.25 180.96 2aw3 h LEU 14 N 0.97 0.79 -0.81 0.00 5.85 -0.37 -2.87 115.31 118.86 2aw3 h LEU 14 Ca 0.22 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2aw3 h LEU 14 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2aw3 h LEU 14 CO -0.01 0.92 -0.56 0.77 -0.34 0.00 0.00 178.44 179.21 2aw3 h SER 15 N 0.73 0.00 -0.48 1.25 4.64 -0.96 -1.97 113.55 116.76 2aw3 h SER 15 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2aw3 h SER 15 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2aw3 h SER 15 CO 0.04 0.56 0.31 0.03 -0.87 0.00 0.00 176.83 176.90 2aw3 h ARG 16 N 0.00 0.64 0.12 4.77 3.08 -1.21 -2.03 114.38 119.74 2aw3 h ARG 16 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2aw3 h ARG 16 Cb 1.04 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2aw3 h ARG 16 CO 0.07 0.43 -0.06 1.96 -1.07 0.00 0.00 179.97 181.31 2aw3 h GLN 17 N 0.65 -0.15 0.00 0.04 1.08 -1.28 -1.43 115.11 114.02 2aw3 h GLN 17 Ca 0.18 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.32 2aw3 h GLN 17 Cb -0.06 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2aw3 h GLN 17 CO -0.04 0.29 -0.29 0.11 -0.95 0.00 0.00 178.83 177.95 2aw3 h TRP 18 N -0.66 0.00 -0.32 2.96 5.08 -1.54 -0.91 115.95 120.56 2aw3 h TRP 18 Ca -0.02 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.83 2aw3 h TRP 18 Cb 0.51 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.66 2aw3 h TRP 18 CO 0.08 0.29 -0.28 1.96 -1.28 0.00 0.00 178.44 179.21 2aw3 h GLN 19 N 0.00 0.76 -0.01 0.12 4.20 -1.41 -1.39 115.11 117.38 2aw3 h GLN 19 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2aw3 h GLN 19 Cb 0.72 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2aw3 h GLN 19 CO 0.04 1.01 0.01 -0.09 -0.67 0.00 0.00 178.83 179.13 2aw3 h ARG 20 N 0.53 0.00 -0.09 1.46 2.43 -0.08 -0.30 114.38 118.33 2aw3 h ARG 20 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2aw3 h ARG 20 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2aw3 h ARG 20 CO 0.07 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.19 2aw3 n TYR 21 N -3.78 0.11 -3.20 2.20 4.01 -0.47 -4.96 117.16 111.07 2aw3 n TYR 21 Ca -0.03 -0.06 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 2aw3 n TYR 21 Cb 0.09 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.20 2aw3 n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aw3 n GLY 22 N 1.12 -0.37 3.75 2.72 0.00 -0.12 -5.05 105.19 107.24 2aw3 n GLY 22 Ca 0.17 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 2aw3 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw3 s LEU 23 N -5.67 3.53 0.23 0.99 1.43 -0.56 -5.03 118.68 113.60 2aw3 s LEU 23 Ca 0.07 -0.45 0.13 0.00 -1.03 0.00 0.00 54.13 52.86 2aw3 s LEU 23 Cb -0.01 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 2aw3 s LEU 23 CO 0.64 -0.06 1.36 0.78 0.23 0.00 0.00 176.35 179.30 2aw3 h ASN 24 N 1.63 0.00 -5.07 2.29 2.35 -1.97 -3.41 115.58 111.40 2aw3 h ASN 24 Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 2aw3 h ASN 24 Cb 1.24 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.52 2aw3 h ASN 24 CO 0.61 0.61 0.08 -0.94 -1.65 0.00 0.00 177.43 176.14 2aw3 s SER 25 N -6.46 -0.28 0.43 5.81 1.04 -1.26 -5.04 113.70 107.94 2aw3 s SER 25 Ca 0.03 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.05 2aw3 s SER 25 Cb 0.08 0.61 0.93 0.00 0.10 0.00 0.00 66.02 67.75 2aw3 s SER 25 CO 0.77 -1.11 2.07 0.00 0.98 0.00 0.00 173.24 175.94 2aw3 h ALA 26 N 2.14 1.77 0.00 5.32 0.00 -1.95 -2.89 119.26 123.65 2aw3 h ALA 26 Ca -0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2aw3 h ALA 26 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2aw3 h ALA 26 CO 0.34 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 2aw3 h ALA 27 N 1.78 1.05 0.00 0.00 0.00 -1.96 -1.87 119.26 118.26 2aw3 h ALA 27 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aw3 h ALA 27 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2aw3 h ALA 27 CO -0.03 0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.18 2aw3 h GLU 28 N 0.00 0.00 -6.91 0.00 5.08 -1.93 -3.47 114.58 107.35 2aw3 h GLU 28 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2aw3 h GLU 28 Cb 0.31 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.69 2aw3 h GLU 28 CO 0.00 0.00 0.57 -1.33 -1.00 0.00 0.00 179.01 177.25 2aw3 n MET 29 N -2.44 1.98 -1.25 2.33 2.81 -0.71 -5.03 117.12 114.80 2aw3 n MET 29 Ca 0.03 0.71 -0.30 0.00 -1.81 0.00 0.00 57.70 56.33 2aw3 n MET 29 Cb 0.31 -2.49 0.12 0.00 -0.71 0.00 0.00 33.22 30.45 2aw3 n MET 29 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2aw3 s THR 30 N -1.22 2.82 0.26 2.03 -4.23 -1.26 -4.84 115.64 109.20 2aw3 s THR 30 Ca 0.63 0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 61.38 2aw3 s THR 30 Cb -0.47 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 70.86 2aw3 s THR 30 CO 0.56 -0.35 1.66 -0.65 -0.54 0.00 0.00 174.62 175.30 2aw3 h PRO 31 N -1.42 0.20 -0.35 3.99 0.11 -2.00 -0.86 132.00 131.67 2aw3 h PRO 31 Ca -0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2aw3 h PRO 31 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2aw3 h PRO 31 CO 0.55 0.13 -0.18 -0.09 -0.21 0.00 0.00 178.00 178.20 2aw3 h ARG 32 N 0.21 0.74 -0.18 1.05 2.43 -1.96 -2.36 114.38 114.31 2aw3 h ARG 32 Ca 0.46 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2aw3 h ARG 32 Cb 0.85 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2aw3 h ARG 32 CO -0.60 0.94 0.12 1.96 -1.51 0.00 0.00 179.97 180.89 2aw3 h GLN 33 N 0.52 0.15 0.15 0.20 4.20 -1.80 -2.16 115.11 116.37 2aw3 h GLN 33 Ca 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2aw3 h GLN 33 Cb 0.73 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2aw3 h GLN 33 CO 0.05 0.10 -0.07 -1.49 -0.67 0.00 0.00 178.83 176.75 2aw3 h TRP 34 N 0.15 -0.19 -0.27 2.96 4.06 -0.67 0.20 115.95 122.19 2aw3 h TRP 34 Ca 0.08 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 2aw3 h TRP 34 Cb 0.12 0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 2aw3 h TRP 34 CO -0.00 0.03 0.16 2.35 -3.56 0.00 0.00 178.44 177.42 2aw3 h TRP 35 N -0.37 0.35 -0.70 0.49 7.01 -1.18 -0.19 115.95 121.36 2aw3 h TRP 35 Ca -0.02 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 2aw3 h TRP 35 Cb 0.29 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 2aw3 h TRP 35 CO -0.02 0.26 0.35 -0.07 -2.79 0.00 0.00 178.44 176.18 2aw3 h LEU 36 N 0.34 0.89 -0.10 0.65 3.38 -1.34 -1.50 115.31 117.63 2aw3 h LEU 36 Ca 0.10 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2aw3 h LEU 36 Cb 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2aw3 h LEU 36 CO -0.02 0.74 -0.30 0.00 0.09 0.00 0.00 178.44 178.95 2aw3 h ALA 37 N 1.40 0.17 -0.24 1.53 0.00 0.01 -0.15 119.26 121.98 2aw3 h ALA 37 Ca 0.24 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2aw3 h ALA 37 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2aw3 h ALA 37 CO -0.03 0.20 -0.41 -0.39 0.00 0.00 0.00 179.25 178.62 2aw3 h VAL 38 N -0.07 1.30 -0.22 0.00 -1.51 -1.05 -0.57 116.25 114.13 2aw3 h VAL 38 Ca -0.01 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.87 2aw3 h VAL 38 Cb 0.93 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 2aw3 h VAL 38 CO 0.06 0.50 0.08 0.28 -1.23 0.00 0.00 177.57 177.26 2aw3 h SER 39 N 0.46 0.31 -0.73 4.19 0.02 -1.27 -1.26 113.55 115.27 2aw3 h SER 39 Ca 0.04 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2aw3 h SER 39 Cb 0.91 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 2aw3 h SER 39 CO 0.08 0.41 0.27 -0.33 -1.14 0.00 0.00 176.83 176.12 2aw3 h GLU 40 N 0.19 1.12 -0.82 3.45 5.08 -0.97 -1.23 114.58 121.41 2aw3 h GLU 40 Ca 0.07 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2aw3 h GLU 40 Cb 0.20 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2aw3 h GLU 40 CO -0.00 0.93 0.53 0.00 -1.00 0.00 0.00 179.01 179.46 2aw3 h ALA 41 N 1.20 1.08 -0.11 3.43 0.00 -0.93 -1.98 119.26 121.95 2aw3 h ALA 41 Ca 0.25 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 41 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2aw3 h ALA 41 CO -0.02 0.37 -0.78 -0.07 0.00 0.00 0.00 179.25 178.76 2aw3 h LEU 42 N 1.04 0.74 -0.79 0.00 3.38 -0.84 -2.29 115.31 116.55 2aw3 h LEU 42 Ca 0.33 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2aw3 h LEU 42 Cb -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2aw3 h LEU 42 CO -0.11 1.27 0.52 0.00 0.09 0.00 0.00 178.44 180.22 2aw3 h ALA 43 N 0.71 1.01 -0.66 1.53 0.00 -1.05 0.65 119.26 121.46 2aw3 h ALA 43 Ca -0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2aw3 h ALA 43 Cb 1.38 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2aw3 h ALA 43 CO 0.15 0.41 0.39 0.93 0.00 0.00 0.00 179.25 181.13 2aw3 h GLU 44 N 1.07 0.72 -0.29 0.00 5.08 -1.18 -0.45 114.58 119.53 2aw3 h GLU 44 Ca 0.29 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2aw3 h GLU 44 Cb -0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 28.97 2aw3 h GLU 44 CO -0.07 0.48 -0.55 0.52 -1.00 0.00 0.00 179.01 178.39 2aw3 h MET 45 N 0.74 0.88 -0.47 2.33 2.86 -1.15 -2.28 114.93 117.85 2aw3 h MET 45 Ca 0.28 -0.56 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 2aw3 h MET 45 Cb 0.10 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2aw3 h MET 45 CO -0.14 1.20 0.30 1.25 1.06 0.00 0.00 176.91 180.58 2aw3 h LEU 46 N 0.68 0.51 -0.12 1.22 5.85 -0.61 -2.96 115.31 119.88 2aw3 h LEU 46 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2aw3 h LEU 46 Cb 1.16 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2aw3 h LEU 46 CO 0.12 0.37 0.00 0.54 -0.34 0.00 0.00 178.44 179.13 2aw3 n ARG 47 N -4.78 0.19 0.00 1.25 1.74 -0.20 -2.22 116.66 112.64 2aw3 n ARG 47 Ca 0.02 0.21 0.14 0.00 -0.77 0.00 0.00 57.85 57.45 2aw3 n ARG 47 Cb 0.04 -1.75 0.61 0.00 -1.02 0.00 0.00 32.46 30.34 2aw3 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aw3 n ALA 48 N -1.72 2.76 -1.81 7.54 0.00 -0.87 -4.90 120.51 121.51 2aw3 n ALA 48 Ca 0.05 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.88 2aw3 n ALA 48 Cb 0.37 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 2aw3 n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aw3 s GLN 49 N -2.47 4.21 0.52 0.00 -1.52 -0.94 -5.03 119.66 114.44 2aw3 s GLN 49 Ca 0.29 1.18 -0.23 0.00 -1.95 0.00 0.00 55.36 54.65 2aw3 s GLN 49 Cb 0.20 -2.24 -0.06 0.00 -0.22 0.00 0.00 33.01 30.69 2aw3 s GLN 49 CO 0.47 -0.05 1.37 -1.25 -0.25 0.00 0.00 175.29 175.59 2aw3 s PRO 50 N -3.06 3.27 -0.12 2.91 0.04 -1.26 -4.93 135.00 131.85 2aw3 s PRO 50 Ca 0.61 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 2aw3 s PRO 50 Cb -0.11 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2aw3 s PRO 50 CO 0.15 -1.10 1.67 0.12 0.04 0.00 0.00 177.00 177.88 2aw3 s PHE 51 N -1.28 1.98 -0.28 0.56 5.36 -1.26 -4.83 117.98 118.23 2aw3 s PHE 51 Ca 0.69 0.32 -0.19 0.00 -0.96 0.00 0.00 56.93 56.79 2aw3 s PHE 51 Cb -0.41 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.31 2aw3 s PHE 51 CO 0.49 -3.57 0.58 0.00 -1.46 0.00 0.00 175.22 171.26 2aw3 s ALA 52 N 4.63 3.57 0.36 11.12 0.00 -1.25 -4.85 121.76 135.34 2aw3 s ALA 52 Ca 0.74 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 2aw3 s ALA 52 Cb -0.31 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2aw3 s ALA 52 CO 0.30 -0.87 1.07 -1.59 0.00 0.00 0.00 175.76 174.67 2aw3 s LYS 53 N 2.45 4.31 1.03 0.00 -2.85 -1.26 -4.60 119.74 118.81 2aw3 s LYS 53 Ca 0.23 1.64 -0.17 0.00 -1.00 0.00 0.00 55.97 56.67 2aw3 s LYS 53 Cb -0.15 -2.77 0.22 0.00 -2.06 0.00 0.00 37.83 33.07 2aw3 s LYS 53 CO 0.10 -0.04 1.25 -1.25 0.10 0.00 0.00 175.35 175.51 2aw3 s PRO 54 N -2.12 0.14 0.25 1.78 0.04 -1.26 -4.98 135.00 128.84 2aw3 s PRO 54 Ca 0.53 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 2aw3 s PRO 54 Cb -0.26 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2aw3 s PRO 54 CO 0.33 -2.77 1.38 0.08 0.04 0.00 0.00 177.00 176.06 2aw3 s VAL 55 N -3.62 2.81 0.70 -0.36 1.01 0.09 -4.96 120.40 116.08 2aw3 s VAL 55 Ca 0.73 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 63.29 2aw3 s VAL 55 Cb -0.06 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2aw3 s VAL 55 CO 0.54 0.12 1.06 0.00 0.00 0.00 0.00 175.10 176.82 2aw3 s ALA 56 N -0.18 2.62 -1.49 5.51 0.00 -1.26 -4.28 121.76 122.68 2aw3 s ALA 56 Ca 0.57 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 2aw3 s ALA 56 Cb -0.40 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2aw3 s ALA 56 CO 0.44 -1.29 0.20 0.09 0.00 0.00 0.00 175.76 175.20 2aw3 n ASN 57 N -3.14 0.32 -4.33 0.00 5.03 -1.26 -4.99 115.26 106.89 2aw3 n ASN 57 Ca 0.08 -1.15 -0.21 0.00 0.87 0.00 0.00 54.58 54.17 2aw3 n ASN 57 Cb 0.53 -2.27 -0.11 0.00 -1.02 0.00 0.00 39.78 36.92 2aw3 n ASN 57 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2aw3 s GLN 58 N -7.00 1.28 0.38 3.52 -0.21 -1.26 -5.12 119.66 111.24 2aw3 s GLN 58 Ca 0.02 -1.45 -0.27 0.00 0.02 0.00 0.00 55.36 53.68 2aw3 s GLN 58 Cb -0.01 -1.27 -0.11 0.00 1.00 0.00 0.00 33.01 32.62 2aw3 s GLN 58 CO 0.95 0.25 1.26 0.54 -2.12 0.00 0.00 175.29 176.16 2aw3 n ARG 59 N 0.12 1.98 -2.66 2.91 1.74 -1.26 -4.95 116.66 114.54 2aw3 n ARG 59 Ca -0.12 0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 57.25 2aw3 n ARG 59 Cb 0.58 -2.32 -0.05 0.00 -1.02 0.00 0.00 32.46 29.65 2aw3 n ARG 59 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2aw3 s HIS 60 N -1.15 3.79 -0.26 -1.55 5.65 0.13 -4.77 115.29 117.13 2aw3 s HIS 60 Ca 0.58 1.77 -0.12 0.00 0.25 0.00 0.00 55.06 57.54 2aw3 s HIS 60 Cb -0.55 -3.11 -0.05 0.00 -1.18 0.00 0.00 32.58 27.70 2aw3 s HIS 60 CO 0.60 0.00 0.24 0.08 -0.65 0.00 0.00 174.74 175.02 2aw3 s VAL 61 N -0.47 5.28 -0.37 0.89 1.01 -0.75 -1.14 120.40 124.85 2aw3 s VAL 61 Ca 0.46 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 2aw3 s VAL 61 Cb -0.26 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2aw3 s VAL 61 CO 0.33 0.26 0.19 0.20 0.00 0.00 0.00 175.10 176.07 2aw3 s ASN 62 N 1.46 5.66 -0.38 3.32 0.01 0.17 -0.78 114.94 124.40 2aw3 s ASN 62 Ca 0.10 -1.05 -0.11 0.00 -0.71 0.00 0.00 52.86 51.09 2aw3 s ASN 62 Cb -0.15 -2.00 0.03 0.00 0.41 0.00 0.00 41.25 39.55 2aw3 s ASN 62 CO 0.09 -0.39 0.21 -0.47 -1.51 0.00 0.00 177.10 175.03 2aw3 s TYR 63 N 1.52 3.25 -0.30 2.20 5.04 0.01 -0.80 117.35 128.27 2aw3 s TYR 63 Ca 0.01 -1.06 -0.09 0.00 -2.44 0.00 0.00 57.07 53.49 2aw3 s TYR 63 Cb -0.19 -2.49 -0.01 0.00 0.35 0.00 0.00 41.96 39.62 2aw3 s TYR 63 CO 0.06 -0.68 0.14 0.42 -1.34 0.00 0.00 175.55 174.15 2aw3 s ILE 64 N 1.53 4.54 -0.00 3.14 1.01 -0.85 -0.97 121.20 129.60 2aw3 s ILE 64 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2aw3 s ILE 64 Cb -0.20 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 2aw3 s ILE 64 CO 0.06 0.10 0.03 -0.55 0.00 0.00 0.00 174.94 174.59 2aw3 s SER 65 N 1.61 0.05 0.44 3.58 0.15 -0.84 -3.26 113.70 115.42 2aw3 s SER 65 Ca 0.05 -0.13 0.29 0.00 0.70 0.00 0.00 55.95 56.86 2aw3 s SER 65 Cb -0.17 0.11 1.06 0.00 -1.71 0.00 0.00 66.02 65.31 2aw3 s SER 65 CO 0.06 -0.15 1.84 0.24 1.20 0.00 0.00 173.24 176.43 2aw3 h MET 66 N 5.40 0.00 -3.98 5.44 2.86 -1.87 -3.38 114.93 119.41 2aw3 h MET 66 Ca -0.28 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.13 2aw3 h MET 66 Cb 1.21 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.61 2aw3 h MET 66 CO 0.45 0.00 -0.72 -1.83 1.06 0.00 0.00 176.91 175.87 2aw3 s GLU 67 N -3.46 0.20 -0.38 1.72 -1.05 -1.26 -4.64 118.70 109.83 2aw3 s GLU 67 Ca 0.04 -0.25 0.01 0.00 -0.15 0.00 0.00 54.97 54.62 2aw3 s GLU 67 Cb 0.09 -0.08 0.13 0.00 -0.44 0.00 0.00 34.13 33.83 2aw3 s GLU 67 CO 0.54 0.01 0.21 -0.06 0.95 0.00 0.00 175.26 176.91 2aw3 s PHE 68 N -0.48 1.24 -1.27 4.83 0.40 -0.81 -4.09 117.98 117.79 2aw3 s PHE 68 Ca -0.04 -1.90 -0.11 0.00 -0.60 0.00 0.00 56.93 54.28 2aw3 s PHE 68 Cb -0.04 -1.34 0.16 0.00 0.51 0.00 0.00 43.02 42.31 2aw3 s PHE 68 CO -0.00 -0.81 1.76 -0.11 0.70 0.00 0.00 175.22 176.76 2aw3 n LEU 69 N 3.97 6.16 0.09 -0.37 7.94 -0.89 -4.11 117.00 129.78 2aw3 n LEU 69 Ca 0.09 -4.52 -0.07 0.00 -1.11 0.00 0.00 56.01 50.40 2aw3 n LEU 69 Cb 0.37 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.75 2aw3 n LEU 69 CO 0.17 1.11 0.24 0.16 -1.11 0.00 0.00 177.39 177.97 2aw3 h ILE 70 N 4.11 1.57 -0.48 1.96 3.07 -1.85 -3.40 117.51 122.49 2aw3 h ILE 70 Ca 0.39 -2.85 0.06 0.00 1.55 0.00 0.00 64.86 64.01 2aw3 h ILE 70 Cb 0.71 2.57 -0.02 0.00 -0.27 0.00 0.00 36.82 39.82 2aw3 h ILE 70 CO 1.52 0.82 -0.09 0.61 -1.05 0.00 0.00 178.15 179.96 2aw3 n GLY 71 N 0.96 -1.47 3.63 0.16 0.00 -1.26 -4.78 105.19 102.42 2aw3 n GLY 71 Ca -0.02 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 2aw3 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw3 n ARG 72 N -1.69 1.65 -0.07 1.61 1.74 -1.26 -4.49 116.66 114.14 2aw3 n ARG 72 Ca 0.00 0.58 -0.05 0.00 -0.77 0.00 0.00 57.85 57.61 2aw3 n ARG 72 Cb 0.10 -2.10 -0.13 0.00 -1.02 0.00 0.00 32.46 29.31 2aw3 n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2aw3 n LEU 73 N 1.61 0.00 0.13 0.55 4.32 -1.26 -4.58 117.00 117.77 2aw3 n LEU 73 Ca 0.11 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.97 2aw3 n LEU 73 Cb 0.31 0.33 -0.07 0.00 -1.62 0.00 0.00 43.42 42.37 2aw3 n LEU 73 CO 0.61 0.33 0.77 0.74 -1.22 0.00 0.00 177.39 178.62 2aw3 h THR 74 N 0.00 0.68 -0.55 -5.08 2.02 -1.96 0.67 112.91 108.68 2aw3 h THR 74 Ca -0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2aw3 h THR 74 Cb 1.79 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2aw3 h THR 74 CO 0.02 0.00 0.28 1.23 0.37 0.00 0.00 175.52 177.42 2aw3 h GLY 75 N -0.33 0.84 1.01 2.16 0.00 -1.95 -1.05 103.07 103.76 2aw3 h GLY 75 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2aw3 h GLY 75 CO -0.03 0.39 0.45 -0.57 0.00 0.00 0.00 176.54 176.78 2aw3 h ASN 76 N 0.75 0.80 -0.36 0.19 -1.24 -1.76 -0.17 115.58 113.79 2aw3 h ASN 76 Ca 0.19 -0.03 -0.17 0.00 0.71 0.00 0.00 56.30 57.01 2aw3 h ASN 76 Cb 0.09 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 2aw3 h ASN 76 CO -0.03 0.58 -0.43 0.78 -1.29 0.00 0.00 177.43 177.05 2aw3 h ASN 77 N 0.94 1.00 -0.32 1.15 4.21 -0.47 -1.52 115.58 120.57 2aw3 h ASN 77 Ca 0.25 -0.48 0.07 0.00 1.21 0.00 0.00 56.30 57.35 2aw3 h ASN 77 Cb -0.10 -0.28 -0.08 0.00 -1.12 0.00 0.00 38.32 36.74 2aw3 h ASN 77 CO -0.05 1.29 -0.25 -0.07 -1.29 0.00 0.00 177.43 177.06 2aw3 h LEU 78 N 0.74 -0.81 -0.80 1.61 3.38 -0.91 -0.78 115.31 117.74 2aw3 h LEU 78 Ca 0.05 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2aw3 h LEU 78 Cb 1.03 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2aw3 h LEU 78 CO 0.10 -0.27 0.13 0.25 0.09 0.00 0.00 178.44 178.74 2aw3 h LEU 79 N -0.22 0.98 -0.79 1.67 6.46 -0.87 0.67 115.31 123.22 2aw3 h LEU 79 Ca 0.16 -0.21 -0.13 0.00 -0.12 0.00 0.00 57.88 57.58 2aw3 h LEU 79 Cb 0.47 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2aw3 h LEU 79 CO -0.44 0.96 -0.59 0.78 -0.62 0.00 0.00 178.44 178.53 2aw3 h ASN 80 N 0.98 0.06 1.69 1.25 4.21 -0.97 -2.71 115.58 120.09 2aw3 h ASN 80 Ca 0.20 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2aw3 h ASN 80 Cb 0.39 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2aw3 h ASN 80 CO 0.01 0.64 0.00 -0.07 -1.29 0.00 0.00 177.43 176.71 2aw3 h LEU 81 N 0.04 0.00 -0.99 1.61 3.38 -0.86 0.17 115.31 118.66 2aw3 h LEU 81 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2aw3 h LEU 81 Cb 1.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.85 2aw3 h LEU 81 CO 0.08 0.00 -0.25 0.61 0.09 0.00 0.00 178.44 178.97 2aw3 n GLY 82 N 0.79 0.40 0.05 0.83 0.00 -0.28 -4.73 105.19 102.24 2aw3 n GLY 82 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2aw3 n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2aw3 n TRP 83 N -3.36 0.00 0.11 1.61 7.02 0.07 -4.80 117.44 118.10 2aw3 n TRP 83 Ca -0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 2aw3 n TRP 83 Cb 0.52 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.32 2aw3 n TRP 83 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 2aw3 h TYR 84 N 0.22 -1.47 -0.46 -5.99 5.03 -1.89 -1.07 116.97 111.36 2aw3 h TYR 84 Ca 0.00 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 2aw3 h TYR 84 Cb 0.08 0.63 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2aw3 h TYR 84 CO 0.00 -0.58 -0.17 0.37 -1.32 0.00 0.00 178.16 176.46 2aw3 h GLN 85 N -0.73 0.88 -0.68 1.82 5.75 -1.93 -0.91 115.11 119.32 2aw3 h GLN 85 Ca 0.00 -0.34 0.04 0.00 -0.15 0.00 0.00 58.65 58.21 2aw3 h GLN 85 Cb 0.75 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 2aw3 h GLN 85 CO -0.28 0.98 0.40 -0.44 -2.65 0.00 0.00 178.83 176.84 2aw3 h ASP 86 N 0.78 0.64 -0.38 -0.69 3.32 -1.83 -0.19 116.42 118.07 2aw3 h ASP 86 Ca 0.11 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2aw3 h ASP 86 Cb 0.70 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2aw3 h ASP 86 CO 0.05 0.43 -0.18 0.58 -1.72 0.00 0.00 179.24 178.40 2aw3 h VAL 87 N 0.77 1.28 -0.74 -1.35 2.07 -0.91 -0.85 116.25 116.53 2aw3 h VAL 87 Ca 0.28 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.57 2aw3 h VAL 87 Cb 0.09 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2aw3 h VAL 87 CO -0.14 0.43 0.48 -0.61 0.02 0.00 0.00 177.57 177.76 2aw3 h GLN 88 N 0.59 0.72 -0.15 1.57 4.15 -0.74 -2.17 115.11 119.09 2aw3 h GLN 88 Ca 0.09 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.29 2aw3 h GLN 88 Cb 0.73 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.26 2aw3 h GLN 88 CO 0.05 0.48 -0.60 -0.44 -1.93 0.00 0.00 178.83 176.40 2aw3 h ASP 89 N 0.75 0.78 -0.20 -0.69 3.32 -0.84 -2.97 116.42 116.56 2aw3 h ASP 89 Ca 0.32 -0.62 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2aw3 h ASP 89 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2aw3 h ASP 89 CO -0.11 1.27 0.09 0.28 -1.72 0.00 0.00 179.24 179.05 2aw3 h SER 90 N 0.34 0.31 0.42 6.45 0.02 -0.81 -2.91 113.55 117.37 2aw3 h SER 90 Ca -0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2aw3 h SER 90 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2aw3 h SER 90 CO 0.13 0.30 -0.22 0.18 -1.14 0.00 0.00 176.83 176.07 2aw3 n LEU 91 N -4.43 0.59 -0.18 5.07 4.77 -0.85 -3.94 117.00 118.03 2aw3 n LEU 91 Ca 0.01 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2aw3 n LEU 91 Cb 0.13 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2aw3 n LEU 91 CO 0.36 0.12 1.05 0.11 -1.33 0.00 0.00 177.39 177.69 2aw3 h LYS 92 N 0.57 0.55 0.00 3.23 1.57 -1.36 -1.92 116.57 119.22 2aw3 h LYS 92 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2aw3 h LYS 92 Cb 0.44 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2aw3 h LYS 92 CO 0.00 0.37 -0.07 0.00 -0.57 0.00 0.00 179.45 179.18 2aw3 h ALA 93 N 1.28 1.12 -0.28 3.86 0.00 -1.76 -1.08 119.26 122.40 2aw3 h ALA 93 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2aw3 h ALA 93 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2aw3 h ALA 93 CO -0.14 0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.85 2aw3 n TYR 94 N -3.34 0.35 -3.21 0.00 4.01 -0.93 -4.97 117.16 109.07 2aw3 n TYR 94 Ca -0.01 -0.17 -0.16 0.00 -0.16 0.00 0.00 57.90 57.40 2aw3 n TYR 94 Cb 0.24 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.33 2aw3 n TYR 94 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2aw3 n ASP 95 N 1.12 -4.00 -4.10 7.72 8.00 -0.41 -4.98 116.55 119.90 2aw3 n ASP 95 Ca 0.18 -0.42 -0.32 0.00 0.71 0.00 0.00 54.79 54.94 2aw3 n ASP 95 Cb 0.52 -3.88 -0.16 0.00 -0.02 0.00 0.00 41.12 37.58 2aw3 n ASP 95 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2aw3 s ILE 96 N -3.25 1.87 -0.33 0.53 -1.09 -0.77 -5.05 121.20 113.12 2aw3 s ILE 96 Ca 0.27 -0.84 -0.28 0.00 -2.23 0.00 0.00 60.65 57.56 2aw3 s ILE 96 Cb -0.12 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.08 2aw3 s ILE 96 CO 0.54 0.51 1.03 0.21 -1.23 0.00 0.00 174.94 176.00 2aw3 s ASN 97 N 1.15 6.86 0.19 3.58 2.47 -1.26 -4.27 114.94 123.66 2aw3 s ASN 97 Ca -0.00 0.93 -0.10 0.00 0.42 0.00 0.00 52.86 54.10 2aw3 s ASN 97 Cb -0.14 -2.52 0.10 0.00 -1.45 0.00 0.00 41.25 37.24 2aw3 s ASN 97 CO -0.08 -0.87 1.74 0.25 -3.72 0.00 0.00 177.10 174.42 2aw3 h LEU 98 N 10.07 0.93 -0.68 3.21 5.85 -1.95 -1.86 115.31 130.88 2aw3 h LEU 98 Ca -0.21 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.47 2aw3 h LEU 98 Cb 1.07 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.73 2aw3 h LEU 98 CO 1.02 0.86 -0.04 0.74 -0.34 0.00 0.00 178.44 180.68 2aw3 h THR 99 N 0.94 0.39 0.01 1.05 2.02 -2.00 -0.96 112.91 114.36 2aw3 h THR 99 Ca 0.22 -0.03 -0.23 0.00 0.77 0.00 0.00 66.41 67.14 2aw3 h THR 99 Cb 0.24 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2aw3 h THR 99 CO -0.01 0.02 -0.96 0.44 0.37 0.00 0.00 175.52 175.37 2aw3 h ASP 100 N 0.08 0.53 -0.41 4.18 3.32 -1.85 -3.17 116.42 119.10 2aw3 h ASP 100 Ca 0.36 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2aw3 h ASP 100 Cb 0.60 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2aw3 h ASP 100 CO -0.62 1.23 0.25 0.25 -1.72 0.00 0.00 179.24 178.63 2aw3 h LEU 101 N 0.22 0.41 -1.86 1.55 5.85 -0.76 -1.87 115.31 118.85 2aw3 h LEU 101 Ca -0.08 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2aw3 h LEU 101 Cb 1.60 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 2aw3 h LEU 101 CO 0.17 0.30 0.31 -0.07 -0.34 0.00 0.00 178.44 178.80 2aw3 h LEU 102 N 0.50 0.14 -1.36 2.25 3.38 -1.17 -1.18 115.31 117.87 2aw3 h LEU 102 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2aw3 h LEU 102 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2aw3 h LEU 102 CO -0.06 0.09 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 2aw3 h GLU 103 N 0.16 0.00 0.00 1.13 4.39 -1.35 -2.03 114.58 116.88 2aw3 h GLU 103 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2aw3 h GLU 103 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2aw3 h GLU 103 CO -0.03 0.00 0.00 0.93 -1.16 0.00 0.00 179.01 178.75 2aw3 h GLU 104 N 0.00 0.00 -6.11 2.33 4.39 -1.27 -3.43 114.58 110.48 2aw3 h GLU 104 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2aw3 h GLU 104 Cb 0.15 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2aw3 h GLU 104 CO 0.00 0.00 0.75 -2.00 -1.16 0.00 0.00 179.01 176.60 2aw3 s GLU 105 N -3.65 4.29 -0.11 2.33 2.12 -0.76 -5.00 118.70 117.92 2aw3 s GLU 105 Ca -0.01 1.36 -0.30 0.00 0.36 0.00 0.00 54.97 56.39 2aw3 s GLU 105 Cb 0.09 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 2aw3 s GLU 105 CO 0.35 -0.57 1.18 0.42 -0.54 0.00 0.00 175.26 176.10 2aw3 s ILE 106 N 2.98 4.37 0.02 -3.70 1.01 -1.26 -4.95 121.20 119.67 2aw3 s ILE 106 Ca 0.45 1.67 -0.37 0.00 0.00 0.00 0.00 60.65 62.40 2aw3 s ILE 106 Cb -0.16 -4.08 -0.16 0.00 0.01 0.00 0.00 42.46 38.08 2aw3 s ILE 106 CO 0.08 -0.05 1.49 0.47 0.00 0.00 0.00 174.94 176.93 2aw3 n ASP 107 N 5.66 2.13 -4.68 3.58 9.92 -1.26 -4.86 116.55 127.04 2aw3 n ASP 107 Ca 0.12 1.10 -0.59 0.00 -0.53 0.00 0.00 54.79 54.88 2aw3 n ASP 107 Cb 0.46 -1.23 -0.08 0.00 -0.64 0.00 0.00 41.12 39.64 2aw3 n ASP 107 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2aw3 n PRO 108 N 3.46 0.83 -2.69 -0.24 -0.02 -1.26 -4.80 135.00 130.29 2aw3 n PRO 108 Ca 0.20 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2aw3 n PRO 108 Cb 0.20 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2aw3 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aw3 n ALA 109 N 4.34 4.74 -0.05 3.55 0.00 -1.26 -4.57 120.51 127.25 2aw3 n ALA 109 Ca 0.26 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.33 2aw3 n ALA 109 Cb 0.10 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.64 2aw3 n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aw3 n LEU 110 N 4.17 1.10 -3.90 0.00 4.77 -1.26 -3.04 117.00 118.84 2aw3 n LEU 110 Ca 0.36 -1.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.13 2aw3 n LEU 110 Cb 0.38 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2aw3 n LEU 110 CO 0.72 0.28 0.40 -0.83 -1.33 0.00 0.00 177.39 176.62 2aw3 s GLY 111 N -0.15 0.68 0.04 -0.72 0.00 -1.26 -1.93 107.32 103.97 2aw3 s GLY 111 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2aw3 s GLY 111 CO 0.00 -0.51 0.00 -2.01 0.00 0.00 0.00 173.10 170.58 2aw3 n ASN 112 N -1.30 0.12 0.00 1.64 5.15 -1.26 -4.63 115.26 114.98 2aw3 n ASN 112 Ca -0.05 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2aw3 n ASN 112 Cb 0.60 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 2aw3 n ASN 112 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aw3 n GLY 113 N 2.42 4.74 0.33 8.20 0.00 -1.26 -4.91 105.19 114.71 2aw3 n GLY 113 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.56 2aw3 n GLY 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aw3 h GLY 114 N 0.00 0.21 0.82 -0.02 0.00 -2.01 -0.84 103.07 101.22 2aw3 h GLY 114 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2aw3 h GLY 114 CO 0.00 0.05 -0.14 -2.00 0.00 0.00 0.00 176.54 174.45 2aw3 h LEU 115 N 0.16 0.48 0.25 3.11 5.85 -1.96 -0.05 115.31 123.16 2aw3 h LEU 115 Ca 0.18 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2aw3 h LEU 115 Cb 0.49 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2aw3 h LEU 115 CO -0.03 0.82 -0.20 1.23 -0.34 0.00 0.00 178.44 179.92 2aw3 h GLY 116 N 0.14 -0.47 1.50 3.75 0.00 -1.48 -1.04 103.07 105.46 2aw3 h GLY 116 Ca 0.04 0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2aw3 h GLY 116 CO 0.04 -0.20 -0.05 -0.09 0.00 0.00 0.00 176.54 176.24 2aw3 h ARG 117 N -0.47 0.61 -0.54 4.80 9.65 -1.18 -2.02 114.38 125.24 2aw3 h ARG 117 Ca -0.01 -0.16 0.02 0.00 -1.10 0.00 0.00 59.98 58.73 2aw3 h ARG 117 Cb 0.41 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 2aw3 h ARG 117 CO -0.01 0.67 0.33 1.25 2.80 0.00 0.00 179.97 185.01 2aw3 h LEU 118 N 0.58 0.54 -0.77 3.80 6.46 -0.61 0.11 115.31 125.42 2aw3 h LEU 118 Ca 0.11 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2aw3 h LEU 118 Cb 0.44 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2aw3 h LEU 118 CO 0.02 0.38 0.44 0.00 -0.62 0.00 0.00 178.44 178.67 2aw3 h ALA 119 N 1.23 0.98 -0.20 1.25 0.00 -0.90 0.28 119.26 121.90 2aw3 h ALA 119 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2aw3 h ALA 119 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2aw3 h ALA 119 CO -0.09 0.47 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 2aw3 h ALA 120 N 1.23 0.28 -0.45 0.00 0.00 -1.03 -1.22 119.26 118.07 2aw3 h ALA 120 Ca 0.27 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2aw3 h ALA 120 Cb -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2aw3 h ALA 120 CO -0.05 0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.51 2aw3 h PHE 122 N 0.35 1.05 -0.68 0.00 -1.00 -0.34 -1.12 116.94 115.20 2aw3 h PHE 122 Ca 0.21 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.94 2aw3 h PHE 122 Cb 0.20 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 2aw3 h PHE 122 CO -0.15 0.79 0.44 -0.07 -1.61 0.00 0.00 178.31 177.71 2aw3 h LEU 123 N 1.01 0.79 -0.67 1.54 3.38 -0.88 -0.29 115.31 120.20 2aw3 h LEU 123 Ca 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2aw3 h LEU 123 Cb 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2aw3 h LEU 123 CO -0.03 0.59 0.33 -0.78 0.09 0.00 0.00 178.44 178.64 2aw3 h ASP 124 N 0.93 0.86 -0.33 -0.43 3.58 -0.95 -1.26 116.42 118.82 2aw3 h ASP 124 Ca 0.25 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 2aw3 h ASP 124 Cb -0.09 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2aw3 h ASP 124 CO -0.05 0.74 -0.26 0.28 -2.88 0.00 0.00 179.24 177.06 2aw3 h SER 125 N 0.92 0.80 -0.48 2.28 0.02 -0.96 -2.00 113.55 114.13 2aw3 h SER 125 Ca 0.23 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2aw3 h SER 125 Cb 0.10 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2aw3 h SER 125 CO -0.03 1.08 0.29 0.24 -1.14 0.00 0.00 176.83 177.27 2aw3 h MET 126 N 0.53 0.56 -0.75 3.45 2.86 -0.81 0.72 114.93 121.50 2aw3 h MET 126 Ca 0.06 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2aw3 h MET 126 Cb 0.83 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.31 2aw3 h MET 126 CO 0.07 0.37 0.44 0.00 1.06 0.00 0.00 176.91 178.85 2aw3 h ALA 127 N 1.21 1.02 -0.36 6.32 0.00 -1.26 0.12 119.26 126.30 2aw3 h ALA 127 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2aw3 h ALA 127 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2aw3 h ALA 127 CO -0.08 0.15 -0.31 1.15 0.00 0.00 0.00 179.25 180.16 2aw3 h THR 128 N 0.81 1.28 -0.49 0.00 2.02 -0.41 -2.97 112.91 113.15 2aw3 h THR 128 Ca 0.33 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 66.05 2aw3 h THR 128 Cb 0.18 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2aw3 h THR 128 CO -0.18 0.48 0.00 1.33 0.37 0.00 0.00 175.52 177.53 2aw3 n VAL 129 N -4.08 0.65 -2.37 3.16 0.24 0.12 -4.75 118.33 111.30 2aw3 n VAL 129 Ca -0.01 -0.74 -0.11 0.00 -2.04 0.00 0.00 64.34 61.44 2aw3 n VAL 129 Cb 0.49 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2aw3 n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aw3 n GLY 130 N 1.45 -0.00 3.54 7.63 0.00 -0.59 -4.77 105.19 112.45 2aw3 n GLY 130 Ca 0.20 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2aw3 n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aw3 s GLN 131 N -4.75 3.38 0.08 1.61 2.00 0.33 -0.73 119.66 121.58 2aw3 s GLN 131 Ca 0.06 -0.10 -0.35 0.00 -2.00 0.00 0.00 55.36 52.97 2aw3 s GLN 131 Cb -0.03 -4.05 -0.14 0.00 0.80 0.00 0.00 33.01 29.59 2aw3 s GLN 131 CO 0.07 -1.59 1.59 0.45 -0.50 0.00 0.00 175.29 175.31 2aw3 n SER 132 N 7.89 2.83 -3.58 6.67 2.88 -1.26 -4.39 113.62 124.66 2aw3 n SER 132 Ca 0.04 1.07 -0.15 0.00 -1.33 0.00 0.00 58.87 58.50 2aw3 n SER 132 Cb 0.48 -1.36 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 2aw3 n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aw3 s ALA 133 N 1.47 -1.82 -0.11 -1.46 0.00 -1.26 -1.81 121.76 116.77 2aw3 s ALA 133 Ca 0.83 1.64 0.04 0.00 0.00 0.00 0.00 51.96 54.47 2aw3 s ALA 133 Cb -0.75 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2aw3 s ALA 133 CO 0.43 -0.34 -0.23 0.99 0.00 0.00 0.00 175.76 176.61 2aw3 s THR 134 N -0.54 2.09 0.26 0.00 2.01 0.04 -4.37 115.64 115.12 2aw3 s THR 134 Ca -0.05 -1.00 -0.21 0.00 0.31 0.00 0.00 61.69 60.74 2aw3 s THR 134 Cb -0.02 -1.80 -0.09 0.00 0.01 0.00 0.00 72.50 70.60 2aw3 s THR 134 CO 0.04 0.56 0.78 -0.83 -0.69 0.00 0.00 174.62 174.48 2aw3 s GLY 135 N 0.42 2.63 -0.14 4.40 0.00 -0.97 -0.81 107.32 112.85 2aw3 s GLY 135 Ca -0.17 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 2aw3 s GLY 135 CO 0.07 0.60 -0.06 -0.19 0.00 0.00 0.00 173.10 173.52 2aw3 s TYR 136 N -1.59 1.59 0.00 1.90 2.02 -0.14 -1.01 117.35 120.12 2aw3 s TYR 136 Ca 0.46 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2aw3 s TYR 136 Cb -0.16 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 2aw3 s TYR 136 CO 0.21 -0.57 0.00 0.41 -1.57 0.00 0.00 175.55 174.03 2aw3 n GLY 137 N 4.91 5.71 3.32 0.71 0.00 -0.44 -1.98 105.19 117.42 2aw3 n GLY 137 Ca -0.12 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 2aw3 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw3 s LEU 138 N 0.00 2.17 -1.22 0.99 1.43 -1.26 -1.89 118.68 118.90 2aw3 s LEU 138 Ca 0.00 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 2aw3 s LEU 138 Cb 0.00 -1.39 0.17 0.00 0.03 0.00 0.00 46.19 45.00 2aw3 s LEU 138 CO 0.00 0.29 1.50 -3.20 0.23 0.00 0.00 176.35 175.17 2aw3 n ASN 139 N 2.64 5.20 -4.70 2.29 4.05 0.59 -4.72 115.26 120.61 2aw3 n ASN 139 Ca -0.17 -2.99 -0.42 0.00 0.45 0.00 0.00 54.58 51.45 2aw3 n ASN 139 Cb 0.52 -1.57 -0.03 0.00 1.23 0.00 0.00 39.78 39.93 2aw3 n ASN 139 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2aw3 s TYR 140 N 1.52 2.67 0.29 1.20 2.02 -1.26 -4.85 117.35 118.95 2aw3 s TYR 140 Ca 0.43 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.55 2aw3 s TYR 140 Cb -0.01 -3.97 0.44 0.00 -0.40 0.00 0.00 41.96 38.01 2aw3 s TYR 140 CO 0.01 -3.77 1.82 0.37 -1.57 0.00 0.00 175.55 172.40 2aw3 h GLN 141 N 7.69 0.73 0.00 -0.62 4.15 -1.06 -3.37 115.11 122.62 2aw3 h GLN 141 Ca -0.43 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.83 2aw3 h GLN 141 Cb 1.20 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.79 2aw3 h GLN 141 CO 0.93 0.71 -0.07 0.66 -1.93 0.00 0.00 178.83 179.12 2aw3 n TYR 142 N -4.26 0.00 -2.50 3.99 4.01 0.24 -4.17 117.16 114.47 2aw3 n TYR 142 Ca 0.03 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2aw3 n TYR 142 Cb 0.26 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 2aw3 n TYR 142 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aw3 n GLY 143 N -0.35 1.92 0.03 2.72 0.00 -1.17 -1.19 105.19 107.15 2aw3 n GLY 143 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 2aw3 n GLY 143 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aw3 h LEU 144 N 0.00 0.00 -7.00 0.99 5.85 -1.80 -0.19 115.31 113.16 2aw3 h LEU 144 Ca 0.00 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.01 2aw3 h LEU 144 Cb 0.00 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 40.81 2aw3 h LEU 144 CO 0.00 0.29 0.94 0.72 -0.34 0.00 0.00 178.44 180.05 2aw3 s PHE 145 N -1.40 -0.05 -0.26 1.25 -0.12 -1.26 -4.78 117.98 111.36 2aw3 s PHE 145 Ca -0.03 0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 56.69 2aw3 s PHE 145 Cb 0.00 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 2aw3 s PHE 145 CO 0.04 -0.06 0.68 0.50 -0.05 0.00 0.00 175.22 176.33 2aw3 s ARG 146 N -1.78 4.10 -0.02 1.99 3.52 0.16 -4.71 118.95 122.20 2aw3 s ARG 146 Ca 0.10 0.60 -0.22 0.00 -0.13 0.00 0.00 55.73 56.08 2aw3 s ARG 146 Cb -0.01 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 2aw3 s ARG 146 CO -0.04 -0.46 0.66 -1.14 -0.81 0.00 0.00 175.30 173.50 2aw3 s GLN 147 N 2.61 4.39 0.28 5.12 0.74 -1.26 -1.66 119.66 129.88 2aw3 s GLN 147 Ca 0.28 0.83 0.02 0.00 0.05 0.00 0.00 55.36 56.54 2aw3 s GLN 147 Cb -0.15 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 2aw3 s GLN 147 CO 0.09 0.24 0.14 -1.54 -0.55 0.00 0.00 175.29 173.67 2aw3 s SER 148 N 0.21 1.22 -0.08 6.67 1.04 -0.71 -3.98 113.70 118.05 2aw3 s SER 148 Ca 0.34 -1.50 0.04 0.00 0.48 0.00 0.00 55.95 55.32 2aw3 s SER 148 Cb -0.18 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2aw3 s SER 148 CO 0.18 -0.85 -0.21 -0.36 0.98 0.00 0.00 173.24 172.98 2aw3 s PHE 149 N -3.73 2.27 -0.08 5.02 0.08 -1.26 -0.17 117.98 120.11 2aw3 s PHE 149 Ca 0.37 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 2aw3 s PHE 149 Cb 0.06 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2aw3 s PHE 149 CO 0.16 -0.35 -0.02 0.08 -0.10 0.00 0.00 175.22 174.99 2aw3 s VAL 150 N 0.31 0.56 -1.67 -0.44 1.01 -0.67 -4.75 120.40 114.76 2aw3 s VAL 150 Ca -0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2aw3 s VAL 150 Cb -0.17 -0.68 0.12 0.00 0.00 0.00 0.00 36.38 35.66 2aw3 s VAL 150 CO 0.07 0.29 0.47 0.47 0.00 0.00 0.00 175.10 176.40 2aw3 n ASP 151 N 5.02 -1.28 0.00 3.32 8.00 -1.26 -1.05 116.55 129.31 2aw3 n ASP 151 Ca -0.10 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.25 2aw3 n ASP 151 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.44 2aw3 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aw3 n GLY 152 N -1.70 0.89 3.63 0.44 0.00 -1.26 -5.01 105.19 102.18 2aw3 n GLY 152 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2aw3 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw3 s LYS 153 N -0.08 2.57 0.08 1.61 1.02 -0.21 -3.82 119.74 120.91 2aw3 s LYS 153 Ca 0.00 -0.74 -0.33 0.00 0.02 0.00 0.00 55.97 54.92 2aw3 s LYS 153 Cb 0.00 -2.53 -0.12 0.00 -0.52 0.00 0.00 37.83 34.66 2aw3 s LYS 153 CO 0.00 0.59 1.77 0.94 -0.92 0.00 0.00 175.35 177.73 2aw3 n GLN 154 N 1.30 2.44 -4.55 1.68 7.27 -1.26 -1.67 117.38 122.59 2aw3 n GLN 154 Ca -0.14 0.89 -0.34 0.00 0.07 0.00 0.00 57.00 57.48 2aw3 n GLN 154 Cb 0.52 -2.73 -0.12 0.00 2.41 0.00 0.00 30.24 30.32 2aw3 n GLN 154 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2aw3 s VAL 155 N 2.54 3.70 -0.30 1.69 1.01 0.76 -4.92 120.40 124.89 2aw3 s VAL 155 Ca 0.84 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 2aw3 s VAL 155 Cb -0.60 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2aw3 s VAL 155 CO 0.41 0.54 0.15 -1.61 0.00 0.00 0.00 175.10 174.60 2aw3 s GLU 156 N -0.15 3.52 0.26 2.72 8.01 -1.26 -1.74 118.70 130.06 2aw3 s GLU 156 Ca 0.02 -0.59 0.11 0.00 0.01 0.00 0.00 54.97 54.52 2aw3 s GLU 156 Cb -0.13 -3.56 -0.05 0.00 -4.31 0.00 0.00 34.13 26.08 2aw3 s GLU 156 CO 0.03 -0.33 -0.19 0.00 0.01 0.00 0.00 175.26 174.77 2aw3 s ALA 157 N 1.65 2.60 0.20 5.21 0.00 -0.66 -4.94 121.76 125.81 2aw3 s ALA 157 Ca 0.06 -1.82 -0.33 0.00 0.00 0.00 0.00 51.96 49.87 2aw3 s ALA 157 Cb -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 23.12 22.59 2aw3 s ALA 157 CO 0.07 0.26 1.66 -2.30 0.00 0.00 0.00 175.76 175.45 2aw3 n PRO 158 N -0.50 2.54 -2.63 0.00 -0.02 -1.26 0.36 135.00 133.50 2aw3 n PRO 158 Ca -0.06 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 2aw3 n PRO 158 Cb 0.60 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2aw3 n PRO 158 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2aw3 n ASP 159 N 3.68 5.15 -4.64 2.55 -0.08 -0.33 -4.44 116.55 118.45 2aw3 n ASP 159 Ca 0.16 -3.05 -0.43 0.00 -1.51 0.00 0.00 54.79 49.96 2aw3 n ASP 159 Cb 0.33 -1.52 -0.02 0.00 2.34 0.00 0.00 41.12 42.24 2aw3 n ASP 159 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2aw3 s ASP 160 N 1.80 6.59 -0.05 1.67 -1.08 -1.26 -3.95 116.67 120.38 2aw3 s ASP 160 Ca 0.41 1.52 0.11 0.00 -0.52 0.00 0.00 52.55 54.07 2aw3 s ASP 160 Cb 0.04 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.25 2aw3 s ASP 160 CO 0.00 -1.10 1.23 -2.67 0.52 0.00 0.00 175.17 173.15 2aw3 n TRP 161 N 7.80 0.43 -3.22 -5.34 4.27 -1.26 -4.97 117.44 115.15 2aw3 n TRP 161 Ca 0.16 -0.63 -0.16 0.00 -3.89 0.00 0.00 57.50 52.99 2aw3 n TRP 161 Cb 0.45 -0.11 0.07 0.00 -1.36 0.00 0.00 31.31 30.36 2aw3 n TRP 161 CO 0.00 0.00 0.00 0.72 -2.29 0.00 0.00 177.69 176.12 2aw3 n HIS 162 N -0.10 -1.96 -0.35 -2.67 8.25 -1.26 -4.86 115.22 112.27 2aw3 n HIS 162 Ca 0.12 0.75 -0.00 0.00 -0.26 0.00 0.00 57.72 58.33 2aw3 n HIS 162 Cb 0.51 -4.26 0.05 0.00 1.12 0.00 0.00 29.99 27.42 2aw3 n HIS 162 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2aw3 h ARG 163 N -1.77 -0.02 0.00 -0.41 2.43 -1.92 -1.93 114.38 110.75 2aw3 h ARG 163 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2aw3 h ARG 163 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2aw3 h ARG 163 CO 0.41 -0.01 0.00 -1.13 -1.51 0.00 0.00 179.97 177.72 2aw3 n SER 164 N -5.50 0.04 -0.88 -3.80 3.41 -1.26 -2.07 113.62 103.56 2aw3 n SER 164 Ca 0.10 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.30 2aw3 n SER 164 Cb 0.41 -0.51 0.19 0.00 -0.26 0.00 0.00 64.21 64.04 2aw3 n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2aw3 n ASN 165 N -1.54 3.13 -4.67 4.04 3.02 -0.76 -5.02 115.26 113.47 2aw3 n ASN 165 Ca 0.07 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 2aw3 n ASN 165 Cb 0.34 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2aw3 n ASN 165 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2aw3 s TYR 166 N -1.09 1.95 -0.10 3.10 5.04 -0.88 -4.88 117.35 120.48 2aw3 s TYR 166 Ca 0.31 0.06 0.30 0.00 -2.44 0.00 0.00 57.07 55.30 2aw3 s TYR 166 Cb 0.17 -4.02 1.12 0.00 0.35 0.00 0.00 41.96 39.58 2aw3 s TYR 166 CO 0.23 -4.31 1.88 -1.00 -1.34 0.00 0.00 175.55 171.00 2aw3 h PRO 167 N 9.39 0.00 -0.00 4.97 0.13 -1.91 -2.93 132.00 141.65 2aw3 h PRO 167 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2aw3 h PRO 167 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2aw3 h PRO 167 CO 0.94 0.00 -0.08 0.91 -0.23 0.00 0.00 178.00 179.54 2aw3 n TRP 168 N -2.95 0.00 -2.45 1.56 7.02 -1.26 -4.49 117.44 114.86 2aw3 n TRP 168 Ca 0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.16 2aw3 n TRP 168 Cb 0.34 -0.38 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 2aw3 n TRP 168 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2aw3 s PHE 169 N -2.84 2.97 0.05 -5.99 0.08 -1.11 -4.46 117.98 106.69 2aw3 s PHE 169 Ca 0.19 1.56 0.03 0.00 0.12 0.00 0.00 56.93 58.84 2aw3 s PHE 169 Cb 0.19 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 2aw3 s PHE 169 CO 0.53 -0.93 -0.10 -0.98 -0.10 0.00 0.00 175.22 173.64 2aw3 s ARG 170 N -3.35 0.65 -0.25 0.44 1.70 0.02 -4.96 118.95 113.19 2aw3 s ARG 170 Ca 0.67 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 55.09 2aw3 s ARG 170 Cb -0.17 -0.51 0.08 0.00 -0.57 0.00 0.00 34.95 33.77 2aw3 s ARG 170 CO 0.23 0.11 0.04 -1.58 -1.08 0.00 0.00 175.30 173.01 2aw3 s HIS 171 N -1.31 1.64 -0.62 5.89 5.65 -1.26 -1.35 115.29 123.92 2aw3 s HIS 171 Ca -0.07 -1.43 -0.20 0.00 0.25 0.00 0.00 55.06 53.62 2aw3 s HIS 171 Cb -0.10 -1.44 0.09 0.00 -1.18 0.00 0.00 32.58 29.95 2aw3 s HIS 171 CO 0.01 -0.75 0.79 1.21 -0.65 0.00 0.00 174.74 175.35 2aw3 s ASN 172 N 1.64 6.19 0.55 9.88 3.84 -1.26 -4.93 114.94 130.86 2aw3 s ASN 172 Ca 0.02 -1.32 0.34 0.00 0.21 0.00 0.00 52.86 52.11 2aw3 s ASN 172 Cb -0.18 -2.34 1.51 0.00 -0.55 0.00 0.00 41.25 39.69 2aw3 s ASN 172 CO -0.14 -1.21 1.81 1.05 -2.79 0.00 0.00 177.10 175.82 2aw3 h GLU 173 N 9.29 0.00 0.00 0.43 4.11 -1.98 -1.27 114.58 125.16 2aw3 h GLU 173 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2aw3 h GLU 173 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2aw3 h GLU 173 CO 1.12 0.00 0.00 0.00 0.07 0.00 0.00 179.01 180.20 2aw3 n ALA 174 N -2.69 1.75 0.70 1.06 0.00 -1.26 -1.62 120.51 118.45 2aw3 n ALA 174 Ca 0.22 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.71 2aw3 n ALA 174 Cb 1.14 -1.24 0.26 0.00 0.00 0.00 0.00 19.45 19.61 2aw3 n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aw3 n LEU 175 N -1.40 2.78 -4.64 0.00 4.77 -0.48 -4.97 117.00 113.06 2aw3 n LEU 175 Ca 0.05 -1.16 -0.38 0.00 -0.03 0.00 0.00 56.01 54.49 2aw3 n LEU 175 Cb 0.15 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2aw3 n LEU 175 CO 0.13 0.58 0.63 0.47 -1.33 0.00 0.00 177.39 177.87 2aw3 n ASP 176 N 1.07 1.10 -3.88 -1.43 9.92 -0.64 -4.59 116.55 118.10 2aw3 n ASP 176 Ca 0.18 0.82 -0.16 0.00 -0.53 0.00 0.00 54.79 55.10 2aw3 n ASP 176 Cb 0.51 -1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 39.41 2aw3 n ASP 176 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2aw3 s VAL 177 N -1.48 0.25 -0.13 2.53 0.11 -0.68 -4.97 120.40 116.03 2aw3 s VAL 177 Ca 0.77 -0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.54 2aw3 s VAL 177 Cb -0.41 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2aw3 s VAL 177 CO 0.46 0.11 0.65 -1.10 -3.33 0.00 0.00 175.10 171.89 2aw3 s GLN 178 N 0.40 4.33 -0.14 1.54 -1.52 -1.26 -0.23 119.66 122.78 2aw3 s GLN 178 Ca -0.04 0.73 0.00 0.00 -1.95 0.00 0.00 55.36 54.10 2aw3 s GLN 178 Cb -0.07 -3.51 0.02 0.00 -0.22 0.00 0.00 33.01 29.24 2aw3 s GLN 178 CO -0.01 -0.07 -0.13 0.08 -0.25 0.00 0.00 175.29 174.91 2aw3 s VAL 179 N 1.31 1.46 0.39 1.09 1.01 -0.31 -4.99 120.40 120.37 2aw3 s VAL 179 Ca 0.33 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2aw3 s VAL 179 Cb -0.16 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 2aw3 s VAL 179 CO 0.13 0.44 0.73 -0.83 0.00 0.00 0.00 175.10 175.57 2aw3 s GLY 180 N 1.50 1.87 -0.00 4.51 0.00 -1.26 -0.77 107.32 113.16 2aw3 s GLY 180 Ca 0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 2aw3 s GLY 180 CO -0.10 -0.15 0.37 -1.50 0.00 0.00 0.00 173.10 171.73 2aw3 s ILE 181 N -2.36 0.05 0.00 0.90 2.07 -0.83 -4.96 121.20 116.08 2aw3 s ILE 181 Ca 0.49 -0.43 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2aw3 s ILE 181 Cb -0.10 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.73 2aw3 s ILE 181 CO 0.33 -0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2aw3 n GLY 182 N 1.03 0.08 7.00 1.50 0.00 0.16 -1.67 105.19 113.29 2aw3 n GLY 182 Ca -0.20 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2aw3 n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw3 n GLY 183 N 0.00 -0.41 3.15 -0.02 0.00 -1.26 -3.92 105.19 102.73 2aw3 n GLY 183 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2aw3 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aw3 s LYS 184 N 0.00 0.72 -0.12 1.61 -2.85 -0.83 -4.84 119.74 113.43 2aw3 s LYS 184 Ca 0.00 -0.98 -0.13 0.00 -1.00 0.00 0.00 55.97 53.86 2aw3 s LYS 184 Cb 0.00 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2aw3 s LYS 184 CO 0.00 -0.20 0.28 0.08 0.10 0.00 0.00 175.35 175.62 2aw3 s VAL 185 N -3.59 5.29 0.89 1.79 1.01 -1.26 -0.22 120.40 124.32 2aw3 s VAL 185 Ca 0.03 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.41 2aw3 s VAL 185 Cb 0.04 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.95 2aw3 s VAL 185 CO -0.09 0.47 1.18 0.42 0.00 0.00 0.00 175.10 177.08 2aw3 s THR 186 N -0.11 1.98 0.51 3.92 -4.23 0.27 -4.83 115.64 113.15 2aw3 s THR 186 Ca 0.17 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.88 2aw3 s THR 186 Cb -0.13 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.17 2aw3 s THR 186 CO 0.05 0.00 2.05 0.11 -0.54 0.00 0.00 174.62 176.30 2aw3 h LYS 187 N -1.40 0.07 -0.55 3.99 1.79 -1.99 -0.69 116.57 117.79 2aw3 h LYS 187 Ca -0.48 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2aw3 h LYS 187 Cb 1.32 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2aw3 h LYS 187 CO 0.59 0.05 0.00 -0.40 -1.08 0.00 0.00 179.45 178.61 2aw3 n ASP 188 N -4.45 3.00 0.00 0.86 3.85 -1.26 -4.91 116.55 113.64 2aw3 n ASP 188 Ca 0.05 -2.17 0.00 0.00 -0.71 0.00 0.00 54.79 51.96 2aw3 n ASP 188 Cb 0.37 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 2aw3 n ASP 188 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aw3 n GLY 189 N 1.01 0.51 3.71 6.12 0.00 -0.27 -5.06 105.19 111.21 2aw3 n GLY 189 Ca 0.17 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 2aw3 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aw3 s ARG 190 N -3.15 4.19 -0.12 1.61 0.52 -1.25 -4.77 118.95 115.98 2aw3 s ARG 190 Ca 0.00 -0.03 -0.29 0.00 -0.52 0.00 0.00 55.73 54.89 2aw3 s ARG 190 Cb 0.00 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2aw3 s ARG 190 CO 0.00 0.17 0.97 -0.46 0.02 0.00 0.00 175.30 176.00 2aw3 s TRP 191 N 0.70 3.49 -0.48 -0.53 -0.00 -1.26 -0.56 118.94 120.30 2aw3 s TRP 191 Ca 0.13 1.52 0.03 0.00 -0.00 0.00 0.00 56.10 57.78 2aw3 s TRP 191 Cb -0.13 -3.16 0.13 0.00 -0.00 0.00 0.00 33.47 30.31 2aw3 s TRP 191 CO 0.03 -0.24 0.22 -1.21 -0.00 0.00 0.00 176.95 175.76 2aw3 s GLU 192 N 2.09 1.92 0.68 5.86 2.02 0.69 -4.99 118.70 126.98 2aw3 s GLU 192 Ca 0.46 -2.38 -0.16 0.00 0.02 0.00 0.00 54.97 52.91 2aw3 s GLU 192 Cb -0.18 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.71 2aw3 s GLU 192 CO 0.16 -1.07 1.21 -2.14 0.02 0.00 0.00 175.26 173.44 2aw3 s PRO 193 N 0.12 2.45 0.01 0.39 0.02 -1.26 -1.96 135.00 134.77 2aw3 s PRO 193 Ca 0.15 1.77 0.24 0.00 0.02 0.00 0.00 61.00 63.18 2aw3 s PRO 193 Cb -0.23 -1.87 0.27 0.00 0.02 0.00 0.00 34.50 32.69 2aw3 s PRO 193 CO -0.03 -1.60 1.24 -0.85 -0.33 0.00 0.00 177.00 175.44 2aw3 n GLU 194 N -2.33 0.04 -3.76 5.54 0.28 -0.67 -4.75 120.64 114.99 2aw3 n GLU 194 Ca 0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 2aw3 n GLU 194 Cb 0.50 -1.51 -0.11 0.00 1.43 0.00 0.00 31.44 31.75 2aw3 n GLU 194 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2aw3 s PHE 195 N -3.02 -0.38 -0.12 -1.84 5.36 -1.09 -4.95 117.98 111.94 2aw3 s PHE 195 Ca 0.09 0.92 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2aw3 s PHE 195 Cb 0.17 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.99 2aw3 s PHE 195 CO 0.75 -0.18 -0.18 0.99 -1.46 0.00 0.00 175.22 175.14 2aw3 s THR 196 N 0.18 1.70 -0.17 0.12 2.01 -1.26 -1.96 115.64 116.26 2aw3 s THR 196 Ca -0.00 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 2aw3 s THR 196 Cb -0.02 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 2aw3 s THR 196 CO 0.00 0.48 0.13 -0.63 -0.69 0.00 0.00 174.62 173.92 2aw3 s ILE 197 N 0.88 5.42 -0.38 1.82 1.01 0.05 -4.77 121.20 125.23 2aw3 s ILE 197 Ca -0.08 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 2aw3 s ILE 197 Cb -0.15 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2aw3 s ILE 197 CO -0.01 0.51 0.36 -0.89 0.00 0.00 0.00 174.94 174.91 2aw3 s THR 198 N -0.19 5.18 -0.18 2.92 2.01 -0.23 -1.16 115.64 123.98 2aw3 s THR 198 Ca 0.11 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 2aw3 s THR 198 Cb -0.11 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2aw3 s THR 198 CO 0.00 -0.22 0.54 -0.83 -0.69 0.00 0.00 174.62 173.42 2aw3 s GLY 199 N 1.74 2.15 -0.11 4.40 0.00 0.69 -1.64 107.32 114.55 2aw3 s GLY 199 Ca 0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 2aw3 s GLY 199 CO 0.12 1.08 0.08 1.20 0.00 0.00 0.00 173.10 175.57 2aw3 s GLN 200 N 1.48 3.28 -0.28 2.90 -0.21 -0.12 -1.68 119.66 125.03 2aw3 s GLN 200 Ca 0.26 -0.25 -0.20 0.00 0.02 0.00 0.00 55.36 55.19 2aw3 s GLN 200 Cb -0.16 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 30.81 2aw3 s GLN 200 CO 0.10 0.73 0.59 0.00 -2.12 0.00 0.00 175.29 174.59 2aw3 s ALA 201 N -0.91 3.57 -0.34 6.09 0.00 -1.26 -1.14 121.76 127.77 2aw3 s ALA 201 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2aw3 s ALA 201 Cb -0.12 -3.02 0.08 0.00 0.00 0.00 0.00 23.12 20.07 2aw3 s ALA 201 CO 0.03 -0.90 0.06 -1.58 0.00 0.00 0.00 175.76 173.37 2aw3 s TRP 202 N 2.48 3.52 -0.15 0.00 0.52 -0.44 -4.07 118.94 120.80 2aw3 s TRP 202 Ca 0.24 -2.46 -0.10 0.00 0.02 0.00 0.00 56.10 53.81 2aw3 s TRP 202 Cb -0.15 -2.65 -0.05 0.00 -1.15 0.00 0.00 33.47 29.47 2aw3 s TRP 202 CO 0.10 -0.91 0.18 -0.51 0.02 0.00 0.00 176.95 175.83 2aw3 s ASP 203 N 1.28 6.37 -0.06 2.95 1.01 -0.46 -1.34 116.67 126.41 2aw3 s ASP 203 Ca 0.03 0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.74 2aw3 s ASP 203 Cb -0.20 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 2aw3 s ASP 203 CO -0.05 0.27 -0.09 -0.76 0.21 0.00 0.00 175.17 174.76 2aw3 s LEU 204 N -0.30 3.05 -0.02 1.23 1.43 -0.54 -0.80 118.68 122.73 2aw3 s LEU 204 Ca 0.13 -0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 52.93 2aw3 s LEU 204 Cb -0.12 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2aw3 s LEU 204 CO 0.03 0.36 0.72 -2.16 0.23 0.00 0.00 176.35 175.52 2aw3 s PRO 205 N -0.79 4.44 -0.29 1.29 0.04 -1.26 -0.77 135.00 137.66 2aw3 s PRO 205 Ca 0.12 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 61.96 2aw3 s PRO 205 Cb -0.11 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 2aw3 s PRO 205 CO 0.01 0.17 0.34 0.08 0.04 0.00 0.00 177.00 177.64 2aw3 s VAL 206 N 0.40 5.19 -0.30 -0.36 1.01 0.14 -4.89 120.40 121.60 2aw3 s VAL 206 Ca 0.37 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2aw3 s VAL 206 Cb -0.19 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2aw3 s VAL 206 CO 0.20 0.11 0.20 -0.69 0.00 0.00 0.00 175.10 174.92 2aw3 s VAL 207 N 2.01 5.22 0.62 2.92 1.01 -1.26 -1.59 120.40 129.33 2aw3 s VAL 207 Ca 0.13 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2aw3 s VAL 207 Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2aw3 s VAL 207 CO 0.11 0.16 1.15 -0.83 0.00 0.00 0.00 175.10 175.68 2aw3 s GLY 208 N 1.73 2.43 -0.40 4.51 0.00 -0.16 -4.84 107.32 110.59 2aw3 s GLY 208 Ca 0.07 0.76 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 2aw3 s GLY 208 CO 0.10 1.13 1.42 -0.47 0.00 0.00 0.00 173.10 175.28 2aw3 s TYR 209 N -1.99 2.39 -1.10 1.90 5.04 -1.26 -4.11 117.35 118.22 2aw3 s TYR 209 Ca 0.72 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 2aw3 s TYR 209 Cb -0.24 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 37.79 2aw3 s TYR 209 CO 0.36 -2.02 0.00 0.54 -1.34 0.00 0.00 175.55 173.09 2aw3 n ARG 210 N 8.03 -2.13 0.00 4.97 5.12 0.59 -4.78 116.66 128.47 2aw3 n ARG 210 Ca 0.17 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 2aw3 n ARG 210 Cb 0.48 -5.19 0.00 0.00 -1.16 0.00 0.00 32.46 26.59 2aw3 n ARG 210 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2aw3 n ASN 211 N -1.69 0.69 0.00 0.55 6.94 -1.26 -4.17 115.26 116.33 2aw3 n ASN 211 Ca -0.15 -1.01 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 2aw3 n ASN 211 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2aw3 n ASN 211 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aw3 n GLY 212 N -0.00 0.37 3.74 4.83 0.00 -1.26 -3.29 105.19 109.57 2aw3 n GLY 212 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2aw3 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw3 s VAL 213 N -1.97 3.97 -0.05 1.61 1.01 -1.26 -3.75 120.40 119.95 2aw3 s VAL 213 Ca 0.00 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 2aw3 s VAL 213 Cb 0.00 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2aw3 s VAL 213 CO 0.00 0.27 0.06 0.00 0.00 0.00 0.00 175.10 175.43 2aw3 s ALA 214 N -0.13 0.29 0.11 5.51 0.00 -1.25 -0.99 121.76 125.30 2aw3 s ALA 214 Ca 0.49 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.61 2aw3 s ALA 214 Cb -0.28 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2aw3 s ALA 214 CO 0.34 -0.55 -0.11 1.14 0.00 0.00 0.00 175.76 176.58 2aw3 s GLN 215 N 2.15 0.93 0.32 0.00 -2.07 -0.62 -4.88 119.66 115.48 2aw3 s GLN 215 Ca 0.05 -1.25 -0.27 0.00 -1.82 0.00 0.00 55.36 52.06 2aw3 s GLN 215 Cb -0.12 -0.60 -0.09 0.00 -1.09 0.00 0.00 33.01 31.10 2aw3 s GLN 215 CO -0.04 0.09 1.03 -1.25 -1.32 0.00 0.00 175.29 173.81 2aw3 s PRO 216 N -3.05 4.52 -0.40 9.60 0.04 -1.26 0.28 135.00 144.73 2aw3 s PRO 216 Ca 0.09 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 2aw3 s PRO 216 Cb -0.02 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.60 2aw3 s PRO 216 CO 0.00 0.16 0.34 -1.17 0.04 0.00 0.00 177.00 176.38 2aw3 s LEU 217 N -1.87 4.94 -0.35 -3.56 2.96 0.05 -2.30 118.68 118.55 2aw3 s LEU 217 Ca 0.49 -0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 53.50 2aw3 s LEU 217 Cb -0.26 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2aw3 s LEU 217 CO 0.33 -0.46 0.37 -0.60 -1.32 0.00 0.00 176.35 174.67 2aw3 s ARG 218 N 1.84 3.50 -0.32 1.98 3.52 -0.18 -1.46 118.95 127.84 2aw3 s ARG 218 Ca 0.08 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.15 2aw3 s ARG 218 Cb -0.18 -3.82 0.02 0.00 -1.56 0.00 0.00 34.95 29.40 2aw3 s ARG 218 CO 0.11 -0.57 0.11 -0.51 -0.81 0.00 0.00 175.30 173.63 2aw3 s LEU 219 N 2.03 4.12 0.15 -0.88 1.43 -0.45 -1.33 118.68 123.76 2aw3 s LEU 219 Ca 0.12 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 2aw3 s LEU 219 Cb -0.17 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 2aw3 s LEU 219 CO 0.12 -0.26 1.11 0.26 0.23 0.00 0.00 176.35 177.81 2aw3 s TRP 220 N 1.48 3.57 -0.05 0.29 0.52 -0.79 -1.33 118.94 122.63 2aw3 s TRP 220 Ca 0.01 1.56 0.07 0.00 0.02 0.00 0.00 56.10 57.76 2aw3 s TRP 220 Cb -0.18 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 28.84 2aw3 s TRP 220 CO 0.03 -0.68 -0.25 -1.14 0.02 0.00 0.00 176.95 174.93 2aw3 s GLN 221 N -0.09 2.42 -0.10 4.98 0.74 -0.30 -0.30 119.66 127.01 2aw3 s GLN 221 Ca 0.51 -0.91 -0.16 0.00 0.05 0.00 0.00 55.36 54.85 2aw3 s GLN 221 Cb -0.29 -2.13 -0.05 0.00 1.10 0.00 0.00 33.01 31.65 2aw3 s GLN 221 CO 0.34 0.44 0.41 0.00 -0.55 0.00 0.00 175.29 175.93 2aw3 s ALA 222 N -0.30 3.56 0.22 1.58 0.00 -1.26 -0.95 121.76 124.61 2aw3 s ALA 222 Ca 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 2aw3 s ALA 222 Cb -0.13 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2aw3 s ALA 222 CO 0.02 0.14 0.12 0.95 0.00 0.00 0.00 175.76 176.99 2aw3 s THR 223 N 0.18 0.20 -0.03 0.00 -4.23 -0.65 -4.09 115.64 107.02 2aw3 s THR 223 Ca 0.23 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 2aw3 s THR 223 Cb -0.15 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 2aw3 s THR 223 CO 0.09 -0.01 -0.24 -2.28 -0.54 0.00 0.00 174.62 171.64 2aw3 s HIS 224 N -4.01 2.41 0.48 3.99 2.46 -1.26 -1.07 115.29 118.29 2aw3 s HIS 224 Ca 0.38 -0.41 0.14 0.00 0.47 0.00 0.00 55.06 55.64 2aw3 s HIS 224 Cb 0.07 -1.53 1.13 0.00 -0.13 0.00 0.00 32.58 32.12 2aw3 s HIS 224 CO 0.12 -0.01 2.09 0.00 -2.47 0.00 0.00 174.74 174.48 2aw3 h ALA 225 N 5.51 1.96 -2.25 1.58 0.00 -1.93 -3.32 119.26 120.81 2aw3 h ALA 225 Ca -0.43 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 2aw3 h ALA 225 Cb 1.13 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 2aw3 h ALA 225 CO 0.48 0.01 -0.84 0.72 0.00 0.00 0.00 179.25 179.62 2aw3 n HIS 226 N -4.50 1.49 0.24 0.00 8.25 -1.26 -4.98 115.22 114.46 2aw3 n HIS 226 Ca 0.01 -3.84 0.13 0.00 -0.26 0.00 0.00 57.72 53.76 2aw3 n HIS 226 Cb 0.15 -0.38 0.53 0.00 1.12 0.00 0.00 29.99 31.40 2aw3 n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aw3 h PRO 227 N 4.44 0.00 -5.72 -0.41 0.13 -1.91 -3.41 132.00 125.12 2aw3 h PRO 227 Ca 0.15 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.64 2aw3 h PRO 227 Cb 0.79 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.60 2aw3 h PRO 227 CO 0.62 0.12 -0.87 0.12 -0.23 0.00 0.00 178.00 177.76 2aw3 s PHE 228 N -3.62 2.20 -0.33 1.56 5.36 -1.26 -2.10 117.98 119.80 2aw3 s PHE 228 Ca 0.01 -0.67 -0.04 0.00 -0.96 0.00 0.00 56.93 55.27 2aw3 s PHE 228 Cb 0.09 -1.46 0.05 0.00 -0.34 0.00 0.00 43.02 41.37 2aw3 s PHE 228 CO 0.60 -0.22 0.08 0.34 -1.46 0.00 0.00 175.22 174.56 2aw3 s ASP 229 N -0.05 5.14 0.32 6.13 -1.08 0.59 -4.98 116.67 122.74 2aw3 s ASP 229 Ca -0.05 -1.32 0.17 0.00 -0.52 0.00 0.00 52.55 50.83 2aw3 s ASP 229 Cb -0.13 -1.80 0.39 0.00 -1.46 0.00 0.00 42.92 39.91 2aw3 s ASP 229 CO 0.04 -0.33 1.59 0.25 0.52 0.00 0.00 175.17 177.24 2aw3 h LEU 230 N 8.11 0.00 0.07 -1.34 5.85 -1.99 -2.20 115.31 123.81 2aw3 h LEU 230 Ca -0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2aw3 h LEU 230 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2aw3 h LEU 230 CO 0.59 0.47 -0.03 0.74 -0.34 0.00 0.00 178.44 179.86 2aw3 h THR 231 N 0.00 1.06 -0.59 1.05 2.02 -1.97 -0.81 112.91 113.67 2aw3 h THR 231 Ca -0.00 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.74 2aw3 h THR 231 Cb 1.14 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.87 2aw3 h THR 231 CO 0.06 0.11 0.37 0.11 0.37 0.00 0.00 175.52 176.54 2aw3 h LYS 232 N -0.30 0.71 -0.65 6.66 1.57 -1.87 -2.12 116.57 120.57 2aw3 h LYS 232 Ca -0.01 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2aw3 h LYS 232 Cb 0.26 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2aw3 h LYS 232 CO 0.02 0.47 0.38 0.35 -0.57 0.00 0.00 179.45 180.10 2aw3 h PHE 233 N 0.73 0.70 0.00 -1.35 3.57 -1.29 -1.26 116.94 118.05 2aw3 h PHE 233 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2aw3 h PHE 233 Cb -0.01 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.50 2aw3 h PHE 233 CO -0.05 0.37 -0.02 0.09 -2.23 0.00 0.00 178.31 176.47 2aw3 n ASN 234 N -4.75 0.04 -0.88 0.41 3.02 -0.32 -1.30 115.26 111.47 2aw3 n ASN 234 Ca 0.07 0.47 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 2aw3 n ASN 234 Cb 0.13 -0.48 0.21 0.00 -0.61 0.00 0.00 39.78 39.03 2aw3 n ASN 234 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2aw3 n ASP 235 N -1.51 2.54 0.00 6.41 8.00 -0.56 -4.94 116.55 126.49 2aw3 n ASP 235 Ca 0.07 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2aw3 n ASP 235 Cb 0.34 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2aw3 n ASP 235 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aw3 n GLY 236 N 1.25 0.70 3.18 0.44 0.00 -0.42 -4.99 105.19 105.35 2aw3 n GLY 236 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2aw3 n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2aw3 n ASP 237 N 0.00 5.68 -0.13 1.61 -0.08 -0.72 -4.85 116.55 118.06 2aw3 n ASP 237 Ca 0.00 -3.16 -0.02 0.00 -1.51 0.00 0.00 54.79 50.10 2aw3 n ASP 237 Cb 0.00 -1.40 0.20 0.00 2.34 0.00 0.00 41.12 42.27 2aw3 n ASP 237 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2aw3 h PHE 238 N 6.22 0.85 0.07 -0.67 0.04 -1.83 -0.94 116.94 120.68 2aw3 h PHE 238 Ca 0.25 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2aw3 h PHE 238 Cb 0.75 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2aw3 h PHE 238 CO 0.98 0.69 -0.03 1.25 -0.60 0.00 0.00 178.31 180.59 2aw3 h LEU 239 N 0.81 -0.08 -2.07 1.54 5.85 -1.96 -3.26 115.31 116.14 2aw3 h LEU 239 Ca 0.18 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2aw3 h LEU 239 Cb 0.24 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2aw3 h LEU 239 CO -0.01 0.55 -0.09 0.03 -0.34 0.00 0.00 178.44 178.58 2aw3 h ARG 240 N -0.76 0.00 -0.05 1.25 3.08 -1.95 -1.05 114.38 114.91 2aw3 h ARG 240 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2aw3 h ARG 240 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2aw3 h ARG 240 CO 0.02 0.09 0.06 0.00 -1.07 0.00 0.00 179.97 179.07 2aw3 h ALA 241 N 1.91 1.50 -0.35 0.04 0.00 -1.21 -2.52 119.26 118.63 2aw3 h ALA 241 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 241 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2aw3 h ALA 241 CO 0.01 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.56 2aw3 n GLU 242 N -3.66 2.25 -0.18 0.00 -0.58 -0.40 -0.30 120.64 117.78 2aw3 n GLU 242 Ca -0.02 -1.90 -0.09 0.00 -0.42 0.00 0.00 57.16 54.73 2aw3 n GLU 242 Cb 0.15 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 2aw3 n GLU 242 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2aw3 h GLN 243 N 3.63 0.82 -0.70 3.49 5.75 -1.54 -1.34 115.11 125.22 2aw3 h GLN 243 Ca 0.00 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 2aw3 h GLN 243 Cb 0.80 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 2aw3 h GLN 243 CO 0.00 0.80 0.29 0.37 -2.65 0.00 0.00 178.83 177.65 2aw3 h GLN 244 N 0.70 1.04 -0.32 1.69 4.15 -1.84 0.09 115.11 120.63 2aw3 h GLN 244 Ca 0.15 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 2aw3 h GLN 244 Cb 0.37 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2aw3 h GLN 244 CO 0.01 0.85 -0.02 0.78 -1.93 0.00 0.00 178.83 178.52 2aw3 h GLY 245 N 0.99 0.62 0.72 2.39 0.00 -1.23 -2.91 103.07 103.65 2aw3 h GLY 245 Ca 0.24 -0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.15 2aw3 h GLY 245 CO -0.02 0.43 0.50 -2.22 0.00 0.00 0.00 176.54 175.23 2aw3 h ILE 246 N 0.37 1.03 -0.01 2.60 2.04 -1.03 0.13 117.51 122.65 2aw3 h ILE 246 Ca 0.09 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2aw3 h ILE 246 Cb 0.47 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2aw3 h ILE 246 CO 0.02 0.17 -0.12 0.78 0.00 0.00 0.00 178.15 179.00 2aw3 h ASN 247 N 0.91 0.01 0.02 1.72 2.35 -0.90 -2.05 115.58 117.64 2aw3 h ASN 247 Ca 0.36 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2aw3 h ASN 247 Cb 0.17 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2aw3 h ASN 247 CO -0.17 0.13 -0.01 0.00 -1.65 0.00 0.00 177.43 175.73 2aw3 h ALA 248 N 1.87 -0.03 0.00 -0.83 0.00 -1.29 -3.40 119.26 115.59 2aw3 h ALA 248 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2aw3 h ALA 248 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2aw3 h ALA 248 CO 0.02 -0.06 0.00 0.93 0.00 0.00 0.00 179.25 180.14 2aw3 h GLU 249 N -0.94 0.00 0.00 0.00 5.08 -0.47 -2.91 114.58 115.33 2aw3 h GLU 249 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2aw3 h GLU 249 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2aw3 h GLU 249 CO 0.00 0.00 -0.10 1.57 -1.00 0.00 0.00 179.01 179.48 2aw3 h LYS 250 N 0.00 0.00 -0.30 2.33 2.10 -1.58 -2.01 116.57 117.11 2aw3 h LYS 250 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2aw3 h LYS 250 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2aw3 h LYS 250 CO 0.00 0.10 0.15 -0.07 -2.00 0.00 0.00 179.45 177.64 2aw3 h LEU 251 N 0.00 0.35 -3.96 7.07 3.38 -1.78 -3.07 115.31 117.31 2aw3 h LEU 251 Ca -0.00 -0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.36 2aw3 h LEU 251 Cb 0.40 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.66 2aw3 h LEU 251 CO 0.01 0.30 -0.48 0.35 0.09 0.00 0.00 178.44 178.71 2aw3 n THR 252 N -4.45 2.71 -0.09 0.22 -2.24 -0.76 -4.72 114.28 104.96 2aw3 n THR 252 Ca 0.01 -4.14 -0.21 0.00 -2.27 0.00 0.00 64.05 57.44 2aw3 n THR 252 Cb 0.10 -1.17 -0.12 0.00 -2.10 0.00 0.00 70.33 67.04 2aw3 n THR 252 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2aw3 h LYS 253 N 2.25 0.04 -4.79 -0.78 1.79 -1.58 -0.90 116.57 112.59 2aw3 h LYS 253 Ca 0.40 -0.06 -0.40 0.00 -2.18 0.00 0.00 60.65 58.41 2aw3 h LYS 253 Cb 1.28 0.02 -0.29 0.00 -1.58 0.00 0.00 32.23 31.66 2aw3 h LYS 253 CO 0.93 1.03 -0.78 0.08 -1.08 0.00 0.00 179.45 179.62 2aw3 s VAL 254 N -2.38 0.76 0.11 0.50 1.01 -1.26 -0.59 120.40 118.54 2aw3 s VAL 254 Ca -0.27 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 2aw3 s VAL 254 Cb 0.05 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 2aw3 s VAL 254 CO 0.62 0.21 0.74 -0.22 0.00 0.00 0.00 175.10 176.46 2aw3 s LEU 255 N -0.23 4.53 -1.32 3.92 0.20 -0.08 -4.32 118.68 121.38 2aw3 s LEU 255 Ca 0.04 1.52 -0.13 0.00 0.69 0.00 0.00 54.13 56.25 2aw3 s LEU 255 Cb -0.04 -3.22 0.01 0.00 -0.43 0.00 0.00 46.19 42.51 2aw3 s LEU 255 CO -0.00 0.14 0.51 -1.22 -0.29 0.00 0.00 176.35 175.49 2aw3 n TYR 256 N 2.07 -1.60 -1.75 5.38 4.01 -1.26 -4.52 117.16 119.49 2aw3 n TYR 256 Ca -0.05 0.51 -0.39 0.00 -0.16 0.00 0.00 57.90 57.81 2aw3 n TYR 256 Cb 0.49 -3.32 0.04 0.00 -0.31 0.00 0.00 39.34 36.24 2aw3 n TYR 256 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2aw3 n PRO 257 N -4.51 1.87 -1.67 -0.72 -0.04 -1.26 -4.80 135.00 123.88 2aw3 n PRO 257 Ca -0.22 0.68 -0.61 0.00 -0.04 0.00 0.00 63.50 63.31 2aw3 n PRO 257 Cb 0.64 -2.60 -0.09 0.00 -0.04 0.00 0.00 33.50 31.41 2aw3 n PRO 257 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aw3 n ASN 258 N -0.78 1.76 -1.19 3.54 2.85 -1.26 -4.83 115.26 115.35 2aw3 n ASN 258 Ca 0.09 1.04 -0.02 0.00 -0.11 0.00 0.00 54.58 55.58 2aw3 n ASN 258 Cb 0.44 -1.02 0.22 0.00 1.24 0.00 0.00 39.78 40.65 2aw3 n ASN 258 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2aw3 n ASP 259 N 5.34 3.01 0.27 1.20 5.75 -1.26 -4.34 116.55 126.52 2aw3 n ASP 259 Ca 0.32 -3.54 0.11 0.00 -0.01 0.00 0.00 54.79 51.67 2aw3 n ASP 259 Cb 0.04 -0.63 0.75 0.00 -1.03 0.00 0.00 41.12 40.25 2aw3 n ASP 259 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2aw3 h ASN 260 N 1.25 0.00 -1.78 -1.12 -0.26 -1.95 -3.40 115.58 108.32 2aw3 h ASN 260 Ca 0.20 0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 55.33 2aw3 h ASN 260 Cb 1.72 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.86 2aw3 h ASN 260 CO 0.41 0.04 -0.60 0.00 -1.06 0.00 0.00 177.43 176.22 2aw3 s ALA 261 N -4.71 3.21 0.18 -0.83 0.00 -1.26 -5.05 121.76 113.30 2aw3 s ALA 261 Ca -0.05 -2.13 -0.13 0.00 0.00 0.00 0.00 51.96 49.66 2aw3 s ALA 261 Cb 0.16 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.23 2aw3 s ALA 261 CO 0.61 -0.03 1.82 0.35 0.00 0.00 0.00 175.76 178.51 2aw3 h PHE 262 N 1.77 0.79 -0.53 0.00 3.57 -1.96 -2.09 116.94 118.49 2aw3 h PHE 262 Ca -0.43 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 2aw3 h PHE 262 Cb 1.25 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 2aw3 h PHE 262 CO 0.71 0.54 0.20 0.93 -2.23 0.00 0.00 178.31 178.46 2aw3 h GLU 263 N 0.81 0.77 -0.47 1.11 4.39 -1.95 -1.49 114.58 117.74 2aw3 h GLU 263 Ca 0.21 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 2aw3 h GLU 263 Cb -0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2aw3 h GLU 263 CO -0.04 0.64 -0.10 0.78 -1.16 0.00 0.00 179.01 179.13 2aw3 h GLY 264 N 0.90 0.98 0.83 -3.84 0.00 -1.59 -0.00 103.07 100.36 2aw3 h GLY 264 Ca 0.18 -0.80 0.01 0.00 0.00 0.00 0.00 47.33 46.73 2aw3 h GLY 264 CO -0.02 0.73 -0.04 0.50 0.00 0.00 0.00 176.54 177.71 2aw3 h LYS 265 N 0.75 -0.05 -0.41 4.80 1.57 -1.05 -1.62 116.57 120.57 2aw3 h LYS 265 Ca 0.12 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2aw3 h LYS 265 Cb 0.65 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2aw3 h LYS 265 CO 0.04 -0.03 0.23 -0.22 -0.57 0.00 0.00 179.45 178.91 2aw3 h LYS 266 N -0.05 0.46 -0.61 3.15 3.64 -1.10 -2.05 116.57 120.01 2aw3 h LYS 266 Ca 0.03 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 2aw3 h LYS 266 Cb 0.10 -0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 2aw3 h LYS 266 CO -0.08 0.30 0.05 1.25 -2.27 0.00 0.00 179.45 178.71 2aw3 h LEU 267 N 0.47 -0.16 -0.53 5.20 5.85 -0.84 -1.23 115.31 124.08 2aw3 h LEU 267 Ca 0.16 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2aw3 h LEU 267 Cb 0.02 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2aw3 h LEU 267 CO -0.08 -0.07 0.30 0.03 -0.34 0.00 0.00 178.44 178.29 2aw3 h ARG 268 N 0.17 0.73 -0.67 1.25 3.08 -0.59 0.24 114.38 118.58 2aw3 h ARG 268 Ca 0.32 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2aw3 h ARG 268 Cb 0.50 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2aw3 h ARG 268 CO -0.47 0.55 0.37 1.25 -1.07 0.00 0.00 179.97 180.60 2aw3 h LEU 269 N 0.71 0.83 -0.95 3.04 5.85 -1.08 -1.97 115.31 121.74 2aw3 h LEU 269 Ca 0.19 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2aw3 h LEU 269 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2aw3 h LEU 269 CO -0.03 0.68 0.31 0.24 -0.34 0.00 0.00 178.44 179.30 2aw3 h MET 270 N 0.92 1.07 -0.69 1.25 2.86 -0.51 0.26 114.93 120.07 2aw3 h MET 270 Ca 0.24 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2aw3 h MET 270 Cb 0.03 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2aw3 h MET 270 CO -0.04 0.85 0.31 1.96 1.06 0.00 0.00 176.91 181.05 2aw3 h GLN 271 N 1.05 1.02 -0.23 1.72 4.20 0.06 -1.14 115.11 121.79 2aw3 h GLN 271 Ca 0.25 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2aw3 h GLN 271 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2aw3 h GLN 271 CO -0.03 0.83 0.09 1.96 -0.67 0.00 0.00 178.83 181.01 2aw3 h GLN 272 N 0.98 0.35 -0.15 1.46 4.20 -1.01 -0.28 115.11 120.65 2aw3 h GLN 272 Ca 0.24 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2aw3 h GLN 272 Cb 0.16 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2aw3 h GLN 272 CO -0.02 0.40 0.06 -0.92 -0.67 0.00 0.00 178.83 177.67 2aw3 h TYR 273 N 0.22 0.23 -0.58 2.96 3.20 -0.77 -2.16 116.97 120.07 2aw3 h TYR 273 Ca 0.08 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.05 2aw3 h TYR 273 Cb 0.18 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.28 2aw3 h TYR 273 CO -0.01 0.31 -0.06 0.35 -1.64 0.00 0.00 178.16 177.11 2aw3 h PHE 274 N 0.09 -0.15 -0.39 -3.82 3.57 -1.04 0.17 116.94 115.37 2aw3 h PHE 274 Ca 0.05 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2aw3 h PHE 274 Cb 0.18 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2aw3 h PHE 274 CO -0.01 -0.20 0.20 0.37 -2.23 0.00 0.00 178.31 176.44 2aw3 h GLN 275 N 0.06 0.55 -0.14 1.11 4.15 -0.73 -2.68 115.11 117.44 2aw3 h GLN 275 Ca 0.29 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.45 2aw3 h GLN 275 Cb 0.46 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2aw3 h GLN 275 CO -0.54 0.46 -0.71 0.00 -1.93 0.00 0.00 178.83 176.11 2aw3 h ALA 277 N 0.77 0.49 -0.24 0.00 0.00 -0.63 -0.16 119.26 119.48 2aw3 h ALA 277 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2aw3 h ALA 277 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2aw3 h ALA 277 CO 0.14 0.57 0.16 0.00 0.00 0.00 0.00 179.25 180.12 2aw3 h SER 279 N 0.32 0.49 -0.79 0.00 0.02 -1.16 -1.06 113.55 111.37 2aw3 h SER 279 Ca 0.09 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2aw3 h SER 279 Cb -0.02 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 2aw3 h SER 279 CO -0.02 0.58 0.51 0.58 -1.14 0.00 0.00 176.83 177.33 2aw3 h VAL 280 N 0.38 1.13 -0.23 2.27 2.07 -1.05 -1.82 116.25 119.01 2aw3 h VAL 280 Ca 0.11 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2aw3 h VAL 280 Cb 0.27 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2aw3 h VAL 280 CO -0.00 0.18 -0.34 0.00 0.02 0.00 0.00 177.57 177.43 2aw3 h ALA 281 N 1.33 0.99 -0.11 1.67 0.00 -1.27 -2.40 119.26 119.47 2aw3 h ALA 281 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2aw3 h ALA 281 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2aw3 h ALA 281 CO -0.11 0.60 0.01 0.22 0.00 0.00 0.00 179.25 179.98 2aw3 h ASP 282 N 0.41 0.18 -0.12 0.00 3.58 -0.68 -0.05 116.42 119.73 2aw3 h ASP 282 Ca 0.05 -0.28 0.04 0.00 0.42 0.00 0.00 57.03 57.26 2aw3 h ASP 282 Cb 0.80 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 2aw3 h ASP 282 CO 0.06 0.41 -0.16 0.40 -2.88 0.00 0.00 179.24 177.08 2aw3 h ILE 283 N -0.07 0.59 -0.67 2.25 2.04 -1.33 0.35 117.51 120.67 2aw3 h ILE 283 Ca 0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 2aw3 h ILE 283 Cb 0.32 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2aw3 h ILE 283 CO 0.00 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 178.17 2aw3 h LEU 284 N -0.20 1.08 -0.39 1.44 3.38 -1.28 -1.24 115.31 118.10 2aw3 h LEU 284 Ca 0.09 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2aw3 h LEU 284 Cb 0.33 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2aw3 h LEU 284 CO -0.24 1.08 0.20 -0.09 0.09 0.00 0.00 178.44 179.48 2aw3 h ARG 285 N 1.04 0.40 -0.77 1.13 2.43 -0.82 0.96 114.38 118.75 2aw3 h ARG 285 Ca 0.20 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2aw3 h ARG 285 Cb 0.47 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2aw3 h ARG 285 CO 0.02 0.26 0.27 -0.09 -1.51 0.00 0.00 179.97 178.92 2aw3 h ARG 286 N 0.41 1.18 -0.15 0.20 2.43 -0.50 -0.25 114.38 117.70 2aw3 h ARG 286 Ca 0.16 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2aw3 h ARG 286 Cb 0.06 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2aw3 h ARG 286 CO -0.10 0.98 0.03 1.25 -1.51 0.00 0.00 179.97 180.62 2aw3 h HIS 287 N 1.14 0.25 -0.74 2.20 2.76 -1.01 -2.13 115.15 117.61 2aw3 h HIS 287 Ca 0.25 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2aw3 h HIS 287 Cb 0.27 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 2aw3 h HIS 287 CO 0.02 0.39 0.48 1.25 -1.30 0.00 0.00 177.93 178.77 2aw3 h HIS 288 N 0.04 0.91 -0.36 5.26 -0.00 -0.69 -2.69 115.15 117.62 2aw3 h HIS 288 Ca 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2aw3 h HIS 288 Cb 0.27 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 2aw3 h HIS 288 CO 0.01 0.55 0.14 -0.07 -0.00 0.00 0.00 177.93 178.55 2aw3 h LEU 289 N 0.96 0.46 0.00 0.26 -0.00 -0.90 -2.46 115.31 113.64 2aw3 h LEU 289 Ca 0.28 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2aw3 h LEU 289 Cb -0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 2aw3 h LEU 289 CO -0.08 0.43 0.00 0.00 -0.00 0.00 0.00 178.44 178.79 2aw3 n ALA 290 N -2.48 2.63 -0.74 1.53 0.00 -0.81 -4.88 120.51 115.77 2aw3 n ALA 290 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2aw3 n ALA 290 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2aw3 n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw3 n GLY 291 N 0.86 0.65 3.88 0.00 0.00 -0.92 -5.03 105.19 104.64 2aw3 n GLY 291 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2aw3 n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aw3 s ARG 292 N -0.26 3.74 0.24 1.61 0.52 -1.03 -5.04 118.95 118.73 2aw3 s ARG 292 Ca 0.00 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.44 2aw3 s ARG 292 Cb 0.00 -2.49 -0.06 0.00 0.52 0.00 0.00 34.95 32.91 2aw3 s ARG 292 CO 0.00 0.08 0.53 0.15 0.02 0.00 0.00 175.30 176.08 2aw3 s LYS 293 N -3.65 3.72 0.17 3.54 -0.14 -1.26 -4.35 119.74 117.77 2aw3 s LYS 293 Ca 0.49 0.14 -0.12 0.00 -1.36 0.00 0.00 55.97 55.12 2aw3 s LYS 293 Cb -0.10 -2.67 0.07 0.00 -1.68 0.00 0.00 37.83 33.44 2aw3 s LYS 293 CO 0.30 0.30 1.73 1.25 -0.76 0.00 0.00 175.35 178.17 2aw3 h LEU 294 N 2.31 0.81 -1.89 3.17 5.85 -1.97 -1.69 115.31 121.90 2aw3 h LEU 294 Ca -0.47 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2aw3 h LEU 294 Cb 1.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2aw3 h LEU 294 CO 0.69 0.76 0.00 1.12 -0.34 0.00 0.00 178.44 180.66 2aw3 h HIS 295 N 0.81 0.00 -0.58 1.25 2.07 -1.98 -2.44 115.15 114.28 2aw3 h HIS 295 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 2aw3 h HIS 295 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 2aw3 h HIS 295 CO 0.01 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 174.02 2aw3 n GLU 296 N -2.65 3.61 -0.22 5.12 0.28 -0.64 -4.66 120.64 121.48 2aw3 n GLU 296 Ca -0.01 -2.82 0.01 0.00 -0.16 0.00 0.00 57.16 54.18 2aw3 n GLU 296 Cb 0.11 -1.84 0.10 0.00 1.43 0.00 0.00 31.44 31.24 2aw3 n GLU 296 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2aw3 h LEU 297 N 3.64 -0.46 -1.00 -1.84 6.46 -1.47 -1.03 115.31 119.60 2aw3 h LEU 297 Ca 0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2aw3 h LEU 297 Cb 1.40 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 2aw3 h LEU 297 CO 0.22 -0.18 0.00 0.00 -0.62 0.00 0.00 178.44 177.86 2aw3 h ALA 298 N 1.64 1.00 0.00 1.25 0.00 -1.83 0.13 119.26 121.45 2aw3 h ALA 298 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2aw3 h ALA 298 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2aw3 h ALA 298 CO -0.63 0.00 -0.11 -0.44 0.00 0.00 0.00 179.25 178.07 2aw3 h ASP 299 N 0.00 0.00 0.00 0.00 3.32 -1.53 -3.36 116.42 114.85 2aw3 h ASP 299 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2aw3 h ASP 299 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2aw3 h ASP 299 CO 0.00 0.11 -1.26 -1.22 -1.72 0.00 0.00 179.24 175.15 2aw3 n TYR 300 N -3.15 0.00 -4.34 4.55 4.01 -0.65 -4.50 117.16 113.07 2aw3 n TYR 300 Ca 0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 2aw3 n TYR 300 Cb 0.52 -0.14 -0.15 0.00 -0.31 0.00 0.00 39.34 39.25 2aw3 n TYR 300 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2aw3 s GLU 301 N -2.32 0.83 0.03 -0.72 0.41 0.35 0.18 118.70 117.46 2aw3 s GLU 301 Ca -0.02 -0.28 0.06 0.00 -0.41 0.00 0.00 54.97 54.32 2aw3 s GLU 301 Cb 0.03 -0.79 -0.02 0.00 -1.78 0.00 0.00 34.13 31.57 2aw3 s GLU 301 CO 0.22 0.12 -0.17 0.54 -0.49 0.00 0.00 175.26 175.48 2aw3 s VAL 302 N 0.09 1.37 -0.24 2.63 0.11 -0.29 -4.35 120.40 119.72 2aw3 s VAL 302 Ca -0.01 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 2aw3 s VAL 302 Cb -0.07 -1.20 0.05 0.00 -1.53 0.00 0.00 36.38 33.63 2aw3 s VAL 302 CO 0.00 0.15 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.16 2aw3 s ILE 303 N -0.75 2.12 -0.38 7.04 1.01 -0.53 -0.66 121.20 129.05 2aw3 s ILE 303 Ca 0.05 -1.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.04 2aw3 s ILE 303 Cb -0.08 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.25 2aw3 s ILE 303 CO 0.01 0.11 0.67 -1.58 0.00 0.00 0.00 174.94 174.16 2aw3 s GLN 304 N 1.16 3.60 -0.37 2.79 2.00 0.02 -1.35 119.66 127.51 2aw3 s GLN 304 Ca -0.05 0.01 -0.21 0.00 -2.00 0.00 0.00 55.36 53.11 2aw3 s GLN 304 Cb -0.18 -3.84 0.01 0.00 0.80 0.00 0.00 33.01 29.79 2aw3 s GLN 304 CO -0.07 -0.83 0.64 -0.51 -0.50 0.00 0.00 175.29 174.02 2aw3 s LEU 305 N 2.84 4.29 -0.29 3.68 1.43 0.60 -2.00 118.68 129.23 2aw3 s LEU 305 Ca 0.26 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 2aw3 s LEU 305 Cb -0.14 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2aw3 s LEU 305 CO 0.16 -0.63 0.19 0.20 0.23 0.00 0.00 176.35 176.51 2aw3 s ASN 306 N 1.83 5.97 0.32 2.29 0.01 -1.20 -0.75 114.94 123.41 2aw3 s ASN 306 Ca 0.24 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 2aw3 s ASN 306 Cb -0.14 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.41 2aw3 s ASN 306 CO 0.16 -0.09 0.00 0.47 -1.51 0.00 0.00 177.10 176.13 2aw3 n ASP 307 N 5.06 -1.29 0.02 -1.22 8.00 -0.44 -4.19 116.55 122.49 2aw3 n ASP 307 Ca -0.14 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.50 2aw3 n ASP 307 Cb 0.51 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 42.11 2aw3 n ASP 307 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2aw3 n THR 308 N -0.23 0.09 -0.29 -3.53 -2.24 -1.24 -4.23 114.28 102.62 2aw3 n THR 308 Ca 0.00 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 2aw3 n THR 308 Cb 0.00 -0.34 0.20 0.00 -2.10 0.00 0.00 70.33 68.09 2aw3 n THR 308 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2aw3 h HIS 309 N 0.00 -0.08 -0.51 4.78 3.86 -1.87 -1.87 115.15 119.46 2aw3 h HIS 309 Ca 0.00 0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2aw3 h HIS 309 Cb 0.54 0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 2aw3 h HIS 309 CO 0.00 -0.31 0.08 -0.35 0.86 0.00 0.00 177.93 178.21 2aw3 n PRO 310 N -5.41 3.83 -0.31 2.45 -0.04 -1.26 -4.62 135.00 129.64 2aw3 n PRO 310 Ca 0.17 -2.52 0.12 0.00 -0.04 0.00 0.00 63.50 61.23 2aw3 n PRO 310 Cb 0.57 -2.10 0.30 0.00 -0.04 0.00 0.00 33.50 32.23 2aw3 n PRO 310 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2aw3 h THR 311 N 2.86 0.55 0.00 0.52 2.02 -1.59 -1.45 112.91 115.81 2aw3 h THR 311 Ca 0.08 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2aw3 h THR 311 Cb 1.82 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2aw3 h THR 311 CO 0.47 0.09 0.00 -0.29 0.37 0.00 0.00 175.52 176.16 2aw3 h ILE 312 N 0.49 0.00 -0.90 3.11 6.09 -1.83 -1.17 117.51 123.31 2aw3 h ILE 312 Ca 0.55 -0.05 0.14 0.00 -1.37 0.00 0.00 64.86 64.14 2aw3 h ILE 312 Cb 0.99 0.68 -0.07 0.00 0.47 0.00 0.00 36.82 38.88 2aw3 h ILE 312 CO -0.48 0.00 0.58 0.00 -3.07 0.00 0.00 178.15 175.18 2aw3 h ALA 313 N 2.03 1.83 0.64 0.18 0.00 -1.60 -1.80 119.26 120.54 2aw3 h ALA 313 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2aw3 h ALA 313 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2aw3 h ALA 313 CO 0.00 -0.07 -0.42 0.82 0.00 0.00 0.00 179.25 179.58 2aw3 h ILE 314 N 0.70 0.00 0.00 0.00 2.04 -1.41 -0.63 117.51 118.21 2aw3 h ILE 314 Ca 0.45 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.26 2aw3 h ILE 314 Cb 0.72 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2aw3 h ILE 314 CO -0.21 0.00 -0.24 1.55 0.00 0.00 0.00 178.15 179.25 2aw3 h PRO 315 N -1.00 0.00 -0.14 2.37 0.13 -1.75 -1.74 132.00 129.87 2aw3 h PRO 315 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2aw3 h PRO 315 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2aw3 h PRO 315 CO 0.07 0.24 0.09 1.49 -0.23 0.00 0.00 178.00 179.65 2aw3 h GLU 316 N 0.00 0.20 -0.74 0.86 4.57 -1.07 0.61 114.58 119.00 2aw3 h GLU 316 Ca -0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2aw3 h GLU 316 Cb 0.45 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 2aw3 h GLU 316 CO 0.03 0.18 0.39 1.25 -1.18 0.00 0.00 179.01 179.68 2aw3 h LEU 317 N 0.16 0.94 -0.76 1.64 5.85 -0.95 -1.45 115.31 120.74 2aw3 h LEU 317 Ca 0.05 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2aw3 h LEU 317 Cb 0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2aw3 h LEU 317 CO -0.01 0.78 0.47 -0.07 -0.34 0.00 0.00 178.44 179.27 2aw3 h LEU 318 N 1.03 0.75 -0.31 2.25 3.38 -1.12 -0.81 115.31 120.47 2aw3 h LEU 318 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2aw3 h LEU 318 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2aw3 h LEU 318 CO -0.04 0.50 0.20 -0.09 0.09 0.00 0.00 178.44 179.11 2aw3 h ARG 319 N 0.89 0.42 -0.40 1.13 2.43 -0.66 -0.43 114.38 117.77 2aw3 h ARG 319 Ca 0.32 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2aw3 h ARG 319 Cb 0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2aw3 h ARG 319 CO -0.14 0.29 0.11 0.28 -1.51 0.00 0.00 179.97 178.99 2aw3 h VAL 320 N 0.42 1.22 -0.36 0.20 2.07 -0.80 -0.68 116.25 118.32 2aw3 h VAL 320 Ca 0.11 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 2aw3 h VAL 320 Cb -0.03 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2aw3 h VAL 320 CO -0.02 0.26 -0.29 -0.07 0.02 0.00 0.00 177.57 177.47 2aw3 h LEU 321 N 0.49 0.89 0.11 2.57 4.07 -0.82 -2.14 115.31 120.48 2aw3 h LEU 321 Ca 0.13 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 2aw3 h LEU 321 Cb 0.29 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.78 2aw3 h LEU 321 CO -0.00 1.15 -0.05 0.40 -1.08 0.00 0.00 178.44 178.85 2aw3 h ILE 322 N 0.64 1.04 0.05 1.22 2.04 -1.07 -2.63 117.51 118.79 2aw3 h ILE 322 Ca 0.07 -1.28 -0.25 0.00 1.00 0.00 0.00 64.86 64.40 2aw3 h ILE 322 Cb 0.87 1.76 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2aw3 h ILE 322 CO 0.08 0.28 -1.06 0.44 0.00 0.00 0.00 178.15 177.88 2aw3 h ASP 323 N -0.81 0.56 0.17 1.72 3.32 -1.24 -3.04 116.42 117.09 2aw3 h ASP 323 Ca -0.01 -0.49 -0.30 0.00 0.02 0.00 0.00 57.03 56.24 2aw3 h ASP 323 Cb 0.56 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 2aw3 h ASP 323 CO 0.02 1.32 -2.12 -0.62 -1.72 0.00 0.00 179.24 176.12 2aw3 n GLU 324 N -3.70 0.67 -0.09 3.56 1.02 -0.81 -4.43 120.64 116.86 2aw3 n GLU 324 Ca -0.08 0.06 0.03 0.00 -0.02 0.00 0.00 57.16 57.15 2aw3 n GLU 324 Cb 0.90 -1.60 0.08 0.00 -0.02 0.00 0.00 31.44 30.80 2aw3 n GLU 324 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2aw3 n HIS 325 N -2.78 0.19 -3.13 -0.32 8.25 -1.13 -5.03 115.22 111.27 2aw3 n HIS 325 Ca -0.25 -0.59 -0.19 0.00 -0.26 0.00 0.00 57.72 56.43 2aw3 n HIS 325 Cb 1.06 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 32.09 2aw3 n HIS 325 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2aw3 n GLN 326 N -0.34 -2.98 -2.38 -0.41 3.00 -1.13 -4.92 117.38 108.22 2aw3 n GLN 326 Ca 0.07 0.43 -0.33 0.00 -0.01 0.00 0.00 57.00 57.16 2aw3 n GLN 326 Cb 0.39 -5.09 -0.02 0.00 0.00 0.00 0.00 30.24 25.52 2aw3 n GLN 326 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2aw3 s MET 327 N -5.75 3.70 0.71 -1.09 -1.94 -1.01 -5.00 119.30 108.93 2aw3 s MET 327 Ca 0.29 1.22 -0.13 0.00 -1.71 0.00 0.00 55.69 55.36 2aw3 s MET 327 Cb -0.16 -2.09 0.03 0.00 2.01 0.00 0.00 34.83 34.62 2aw3 s MET 327 CO 0.36 -0.50 1.10 -1.54 -0.01 0.00 0.00 175.02 174.43 2aw3 s SER 328 N -2.45 4.80 0.24 3.03 1.04 -1.26 -4.52 113.70 114.59 2aw3 s SER 328 Ca 0.64 1.92 -0.07 0.00 0.48 0.00 0.00 55.95 58.93 2aw3 s SER 328 Cb -0.14 -2.54 0.43 0.00 0.10 0.00 0.00 66.02 63.87 2aw3 s SER 328 CO 0.27 -1.84 1.65 -0.25 0.98 0.00 0.00 173.24 174.05 2aw3 h TRP 329 N -0.53 0.02 -0.39 5.02 2.91 -1.98 -2.02 115.95 118.98 2aw3 h TRP 329 Ca -0.45 0.05 -0.11 0.00 1.13 0.00 0.00 58.89 59.51 2aw3 h TRP 329 Cb 1.24 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.98 2aw3 h TRP 329 CO 0.56 -0.21 -0.19 -0.44 -1.03 0.00 0.00 178.44 177.13 2aw3 h ASP 330 N 0.13 0.75 -0.14 2.65 3.32 -1.99 -1.60 116.42 119.54 2aw3 h ASP 330 Ca 0.41 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 2aw3 h ASP 330 Cb 0.71 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2aw3 h ASP 330 CO -0.62 0.94 -0.42 0.44 -1.72 0.00 0.00 179.24 177.85 2aw3 h ASP 331 N 0.66 0.62 -0.37 6.45 3.32 -1.89 -1.75 116.42 123.46 2aw3 h ASP 331 Ca 0.10 -0.60 0.05 0.00 0.02 0.00 0.00 57.03 56.61 2aw3 h ASP 331 Cb 0.68 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 2aw3 h ASP 331 CO 0.05 1.11 0.08 0.00 -1.72 0.00 0.00 179.24 178.75 2aw3 h ALA 332 N 0.53 0.39 -0.41 3.45 0.00 -1.26 -2.74 119.26 119.23 2aw3 h ALA 332 Ca -0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2aw3 h ALA 332 Cb 1.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2aw3 h ALA 332 CO 0.09 -0.33 -0.16 2.35 0.00 0.00 0.00 179.25 181.21 2aw3 h TRP 333 N 0.20 0.84 -0.99 0.00 2.91 -1.34 -1.17 115.95 116.40 2aw3 h TRP 333 Ca 0.17 -0.17 0.13 0.00 1.13 0.00 0.00 58.89 60.16 2aw3 h TRP 333 Cb 0.20 -0.21 -0.09 0.00 -0.51 0.00 0.00 29.16 28.55 2aw3 h TRP 333 CO -0.19 0.86 0.62 0.00 -1.03 0.00 0.00 178.44 178.71 2aw3 h ALA 334 N 1.15 1.58 0.24 2.65 0.00 -1.07 -1.07 119.26 122.74 2aw3 h ALA 334 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2aw3 h ALA 334 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2aw3 h ALA 334 CO 0.05 0.16 -0.12 0.82 0.00 0.00 0.00 179.25 180.16 2aw3 h ILE 335 N 0.93 0.00 -0.95 0.00 2.04 -1.08 -3.33 117.51 115.12 2aw3 h ILE 335 Ca 0.50 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.78 2aw3 h ILE 335 Cb 0.57 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2aw3 h ILE 335 CO -0.27 0.00 0.61 0.71 0.00 0.00 0.00 178.15 179.19 2aw3 h THR 336 N -1.00 0.97 0.00 -0.27 1.35 -1.16 -1.01 112.91 111.79 2aw3 h THR 336 Ca -0.03 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2aw3 h THR 336 Cb 0.25 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 2aw3 h THR 336 CO 0.05 0.18 0.00 -1.54 -0.25 0.00 0.00 175.52 173.96 2aw3 n SER 337 N -4.55 0.50 -0.75 5.36 3.41 -0.42 -1.28 113.62 115.90 2aw3 n SER 337 Ca 0.16 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.48 2aw3 n SER 337 Cb 0.31 -0.73 0.12 0.00 -0.26 0.00 0.00 64.21 63.65 2aw3 n SER 337 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2aw3 n LYS 338 N -2.05 1.79 -0.07 4.33 4.76 -0.41 -2.82 118.16 123.68 2aw3 n LYS 338 Ca 0.03 -1.76 -0.09 0.00 -2.87 0.00 0.00 58.31 53.62 2aw3 n LYS 338 Cb 0.22 -1.34 -0.08 0.00 -1.84 0.00 0.00 35.03 31.99 2aw3 n LYS 338 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2aw3 n THR 339 N 0.95 0.86 -3.54 -0.18 -1.04 -0.40 -4.80 114.28 106.14 2aw3 n THR 339 Ca 0.12 -0.39 -0.38 0.00 -2.04 0.00 0.00 64.05 61.36 2aw3 n THR 339 Cb 0.44 -0.93 -0.06 0.00 -1.82 0.00 0.00 70.33 67.96 2aw3 n THR 339 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2aw3 s PHE 340 N -2.30 3.67 0.12 -1.42 0.08 -0.88 -1.45 117.98 115.81 2aw3 s PHE 340 Ca -0.16 0.89 0.09 0.00 0.12 0.00 0.00 56.93 57.87 2aw3 s PHE 340 Cb 0.05 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 2aw3 s PHE 340 CO 0.40 0.58 -0.22 0.00 -0.10 0.00 0.00 175.22 175.87 2aw3 s ALA 341 N -0.78 2.03 -0.11 5.36 0.00 -0.45 -1.76 121.76 126.04 2aw3 s ALA 341 Ca 0.22 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2aw3 s ALA 341 Cb -0.16 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2aw3 s ALA 341 CO 0.11 0.39 -0.16 -0.47 0.00 0.00 0.00 175.76 175.63 2aw3 s TYR 342 N -1.30 2.09 -0.19 0.00 5.04 -0.32 -0.29 117.35 122.38 2aw3 s TYR 342 Ca 0.11 -1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 53.66 2aw3 s TYR 342 Cb -0.09 -1.49 -0.04 0.00 0.35 0.00 0.00 41.96 40.69 2aw3 s TYR 342 CO 0.05 -0.50 0.06 0.99 -1.34 0.00 0.00 175.55 174.81 2aw3 s THR 343 N 0.97 4.72 -0.21 4.34 2.01 0.07 -1.99 115.64 125.55 2aw3 s THR 343 Ca -0.06 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 2aw3 s THR 343 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2aw3 s THR 343 CO -0.02 0.44 0.34 0.21 -0.69 0.00 0.00 174.62 174.91 2aw3 s ASN 344 N 0.54 6.36 0.00 3.53 3.84 -0.84 -1.33 114.94 127.03 2aw3 s ASN 344 Ca 0.03 0.42 0.10 0.00 0.21 0.00 0.00 52.86 53.61 2aw3 s ASN 344 Cb -0.13 -2.20 0.13 0.00 -0.55 0.00 0.00 41.25 38.50 2aw3 s ASN 344 CO 0.01 -0.05 0.92 1.41 -2.79 0.00 0.00 177.10 176.61 2aw3 n HIS 345 N 4.45 0.11 -3.64 0.43 8.25 -1.26 -4.28 115.22 119.29 2aw3 n HIS 345 Ca -0.10 -0.14 -0.03 0.00 -0.26 0.00 0.00 57.72 57.19 2aw3 n HIS 345 Cb 0.51 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 2aw3 n HIS 345 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2aw3 s THR 346 N -0.86 0.00 -1.10 1.59 -1.32 -1.26 -4.70 115.64 107.98 2aw3 s THR 346 Ca 0.14 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.89 2aw3 s THR 346 Cb 0.09 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.26 2aw3 s THR 346 CO 0.13 0.00 1.72 0.18 -2.21 0.00 0.00 174.62 174.43 2aw3 n LEU 347 N 1.02 0.27 -4.60 9.08 4.77 -1.26 -4.85 117.00 121.42 2aw3 n LEU 347 Ca -0.05 0.23 -0.47 0.00 -0.03 0.00 0.00 56.01 55.69 2aw3 n LEU 347 Cb 0.58 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2aw3 n LEU 347 CO 0.05 0.06 0.76 0.23 -1.33 0.00 0.00 177.39 177.17 2aw3 n MET 348 N -1.42 1.41 -0.19 3.23 2.81 -1.26 -4.88 117.12 116.83 2aw3 n MET 348 Ca 0.08 0.50 0.13 0.00 -1.81 0.00 0.00 57.70 56.60 2aw3 n MET 348 Cb 0.33 -2.01 0.45 0.00 -0.71 0.00 0.00 33.22 31.27 2aw3 n MET 348 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2aw3 h PRO 349 N 3.29 0.52 -0.31 0.03 0.13 -1.93 -2.82 132.00 130.91 2aw3 h PRO 349 Ca -0.43 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2aw3 h PRO 349 Cb 1.33 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2aw3 h PRO 349 CO 0.69 0.35 0.28 1.05 -0.23 0.00 0.00 178.00 180.14 2aw3 h GLU 350 N 0.54 0.00 -0.14 0.86 9.09 -1.98 0.11 114.58 123.06 2aw3 h GLU 350 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 2aw3 h GLU 350 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 2aw3 h GLU 350 CO -0.14 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.92 2aw3 n ALA 351 N -2.45 2.50 -3.48 1.06 0.00 -1.06 -4.51 120.51 112.58 2aw3 n ALA 351 Ca 0.05 -0.63 -0.31 0.00 0.00 0.00 0.00 53.44 52.54 2aw3 n ALA 351 Cb 0.44 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 2aw3 n ALA 351 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aw3 n LEU 352 N 0.73 4.15 -4.77 0.00 4.77 0.37 -3.60 117.00 118.65 2aw3 n LEU 352 Ca 0.17 -5.32 -0.39 0.00 -0.03 0.00 0.00 56.01 50.44 2aw3 n LEU 352 Cb 0.45 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2aw3 n LEU 352 CO 0.15 1.87 0.90 -1.61 -1.33 0.00 0.00 177.39 177.37 2aw3 s GLU 353 N -2.18 4.08 -0.03 3.23 2.02 -1.26 -4.90 118.70 119.67 2aw3 s GLU 353 Ca 0.34 2.01 0.03 0.00 0.02 0.00 0.00 54.97 57.37 2aw3 s GLU 353 Cb 0.06 -2.78 -0.00 0.00 0.10 0.00 0.00 34.13 31.51 2aw3 s GLU 353 CO -0.04 -0.35 -0.12 1.03 0.02 0.00 0.00 175.26 175.80 2aw3 s ARG 354 N -2.17 1.19 -0.06 1.61 0.52 -1.26 -1.89 118.95 116.89 2aw3 s ARG 354 Ca 0.55 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.41 2aw3 s ARG 354 Cb -0.35 -1.08 -0.00 0.00 0.52 0.00 0.00 34.95 34.03 2aw3 s ARG 354 CO 0.45 0.17 -0.20 -1.58 0.02 0.00 0.00 175.30 174.15 2aw3 s TRP 355 N 0.09 2.09 0.29 -0.53 0.52 -0.78 -4.95 118.94 115.67 2aw3 s TRP 355 Ca -0.02 -0.69 -0.30 0.00 0.02 0.00 0.00 56.10 55.11 2aw3 s TRP 355 Cb -0.09 -1.40 -0.12 0.00 -1.15 0.00 0.00 33.47 30.71 2aw3 s TRP 355 CO 0.01 -0.25 1.44 -0.25 0.02 0.00 0.00 176.95 177.92 2aw3 n ASP 356 N 3.25 3.15 -0.28 2.95 8.00 -1.26 0.41 116.55 132.76 2aw3 n ASP 356 Ca -0.19 1.16 0.04 0.00 0.71 0.00 0.00 54.79 56.51 2aw3 n ASP 356 Cb 0.52 -1.50 0.18 0.00 -0.02 0.00 0.00 41.12 40.30 2aw3 n ASP 356 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2aw3 h VAL 357 N 3.02 0.84 -0.84 2.53 2.07 -1.48 -1.10 116.25 121.29 2aw3 h VAL 357 Ca -0.46 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 66.87 2aw3 h VAL 357 Cb 1.26 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2aw3 h VAL 357 CO 0.73 0.13 0.55 0.50 0.02 0.00 0.00 177.57 179.50 2aw3 h LYS 358 N 0.69 0.96 -0.15 1.57 3.64 -1.90 0.23 116.57 121.60 2aw3 h LYS 358 Ca 0.40 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 2aw3 h LYS 358 Cb 0.45 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2aw3 h LYS 358 CO -0.29 0.63 -0.17 1.25 -2.27 0.00 0.00 179.45 178.60 2aw3 h LEU 359 N 0.99 0.42 -0.67 5.20 5.85 -1.59 -2.30 115.31 123.20 2aw3 h LEU 359 Ca 0.35 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 2aw3 h LEU 359 Cb 0.13 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2aw3 h LEU 359 CO -0.12 0.82 0.09 0.58 -0.34 0.00 0.00 178.44 179.48 2aw3 h VAL 360 N 0.02 1.26 -0.42 1.05 2.07 -0.83 -2.53 116.25 116.87 2aw3 h VAL 360 Ca 0.02 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 2aw3 h VAL 360 Cb 0.71 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2aw3 h VAL 360 CO 0.04 0.40 0.18 0.50 0.02 0.00 0.00 177.57 178.71 2aw3 h LYS 361 N 1.04 0.63 -0.59 1.57 3.64 -0.59 0.15 116.57 122.41 2aw3 h LYS 361 Ca 0.20 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2aw3 h LYS 361 Cb 0.47 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2aw3 h LYS 361 CO 0.02 0.57 0.06 0.78 -2.27 0.00 0.00 179.45 178.61 2aw3 h GLY 362 N 0.54 1.09 1.22 5.01 0.00 -1.25 -2.61 103.07 107.07 2aw3 h GLY 362 Ca 0.14 -0.76 -0.33 0.00 0.00 0.00 0.00 47.33 46.38 2aw3 h GLY 362 CO -0.01 0.70 -1.53 1.41 0.00 0.00 0.00 176.54 177.11 2aw3 h LEU 363 N 0.91 0.75 -5.99 3.11 4.07 -1.30 -3.40 115.31 113.45 2aw3 h LEU 363 Ca 0.18 -0.86 -0.54 0.00 0.08 0.00 0.00 57.88 56.73 2aw3 h LEU 363 Cb 0.48 -0.24 -0.40 0.00 1.08 0.00 0.00 40.66 41.58 2aw3 h LEU 363 CO 0.02 1.69 -1.08 0.18 -1.08 0.00 0.00 178.44 178.17 2aw3 n LEU 364 N -3.66 0.81 -0.10 1.67 4.77 0.52 0.36 117.00 121.36 2aw3 n LEU 364 Ca -0.18 -4.88 0.02 0.00 -0.03 0.00 0.00 56.01 50.94 2aw3 n LEU 364 Cb 1.09 0.52 0.32 0.00 -2.33 0.00 0.00 43.42 43.02 2aw3 n LEU 364 CO 0.58 2.15 1.17 1.55 -1.33 0.00 0.00 177.39 181.51 2aw3 h PRO 365 N 3.68 0.75 -0.32 3.23 0.13 -1.55 -0.98 132.00 136.94 2aw3 h PRO 365 Ca 0.09 -0.06 -0.17 0.00 -0.87 0.00 0.00 66.00 64.99 2aw3 h PRO 365 Cb 0.88 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2aw3 h PRO 365 CO 0.51 0.52 -0.47 -0.09 -0.23 0.00 0.00 178.00 178.24 2aw3 h ARG 366 N 0.77 0.86 -0.44 0.86 9.65 -1.91 -2.68 114.38 121.49 2aw3 h ARG 366 Ca 0.20 -0.50 -0.08 0.00 -1.10 0.00 0.00 59.98 58.50 2aw3 h ARG 366 Cb -0.04 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2aw3 h ARG 366 CO -0.04 1.14 -0.06 0.45 2.80 0.00 0.00 179.97 184.26 2aw3 h HIS 367 N 0.68 0.81 -0.76 2.20 3.86 -1.76 -2.21 115.15 117.98 2aw3 h HIS 367 Ca 0.03 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 2aw3 h HIS 367 Cb 1.07 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2aw3 h HIS 367 CO 0.06 0.79 0.33 1.98 0.86 0.00 0.00 177.93 181.95 2aw3 h MET 368 N 0.69 1.11 -0.52 2.45 1.85 -1.06 -0.88 114.93 118.57 2aw3 h MET 368 Ca 0.13 -0.18 0.10 0.00 -0.61 0.00 0.00 59.70 59.13 2aw3 h MET 368 Cb 0.52 -0.19 -0.08 0.00 0.43 0.00 0.00 31.60 32.28 2aw3 h MET 368 CO 0.03 0.89 0.07 1.96 -0.40 0.00 0.00 176.91 179.45 2aw3 h GLN 369 N 1.08 0.19 -0.66 0.39 4.20 -1.24 -2.20 115.11 116.87 2aw3 h GLN 369 Ca 0.26 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.89 2aw3 h GLN 369 Cb 0.17 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2aw3 h GLN 369 CO -0.03 0.12 0.15 0.82 -0.67 0.00 0.00 178.83 179.22 2aw3 h ILE 370 N 0.19 1.26 -0.51 2.54 2.04 -1.06 -1.86 117.51 120.10 2aw3 h ILE 370 Ca 0.26 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 2aw3 h ILE 370 Cb 0.38 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2aw3 h ILE 370 CO -0.38 0.37 -0.13 0.40 0.00 0.00 0.00 178.15 178.41 2aw3 h ILE 371 N 1.01 1.27 -0.80 -0.67 2.04 -1.09 -0.65 117.51 118.61 2aw3 h ILE 371 Ca 0.21 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 2aw3 h ILE 371 Cb 0.37 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2aw3 h ILE 371 CO 0.00 0.44 0.38 0.78 0.00 0.00 0.00 178.15 179.76 2aw3 h ASN 372 N 0.87 1.05 -0.32 1.72 2.35 -1.18 -0.63 115.58 119.43 2aw3 h ASN 372 Ca 0.13 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 2aw3 h ASN 372 Cb 0.68 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2aw3 h ASN 372 CO 0.05 0.89 -0.33 -0.08 -1.65 0.00 0.00 177.43 176.31 2aw3 h GLU 373 N 1.14 0.79 -0.48 0.81 4.81 -1.09 -0.82 114.58 119.75 2aw3 h GLU 373 Ca 0.28 -0.42 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2aw3 h GLU 373 Cb 0.12 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2aw3 h GLU 373 CO -0.03 1.05 0.24 0.82 -0.73 0.00 0.00 179.01 180.36 2aw3 h ILE 374 N 0.57 0.96 -0.31 2.32 2.04 -0.91 -2.12 117.51 120.05 2aw3 h ILE 374 Ca 0.05 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2aw3 h ILE 374 Cb 0.91 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2aw3 h ILE 374 CO 0.08 0.09 0.06 -1.13 0.00 0.00 0.00 178.15 177.25 2aw3 h ASN 375 N 0.47 0.02 0.24 1.72 -1.24 -0.73 -1.56 115.58 114.50 2aw3 h ASN 375 Ca 0.21 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2aw3 h ASN 375 Cb 0.11 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.23 2aw3 h ASN 375 CO -0.15 0.05 -0.11 0.74 -1.29 0.00 0.00 177.43 176.67 2aw3 h THR 376 N 0.18 0.83 -0.78 -3.57 2.02 -0.95 -1.67 112.91 108.96 2aw3 h THR 376 Ca 0.15 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 67.02 2aw3 h THR 376 Cb 0.16 1.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 2aw3 h THR 376 CO -0.19 0.09 0.38 0.03 0.37 0.00 0.00 175.52 176.20 2aw3 h ARG 377 N -0.54 0.57 -0.60 6.66 3.08 -1.43 -2.48 114.38 119.64 2aw3 h ARG 377 Ca -0.03 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2aw3 h ARG 377 Cb 0.40 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2aw3 h ARG 377 CO 0.05 0.38 0.08 0.35 -1.07 0.00 0.00 179.97 179.77 2aw3 h PHE 378 N 0.59 1.04 -0.92 3.04 3.57 -1.01 -2.72 116.94 120.53 2aw3 h PHE 378 Ca 0.41 -0.14 0.19 0.00 3.53 0.00 0.00 57.97 61.96 2aw3 h PHE 378 Cb 0.52 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 2aw3 h PHE 378 CO -0.11 0.89 0.60 -0.22 -2.23 0.00 0.00 178.31 177.24 2aw3 h LYS 379 N 0.93 0.52 0.01 1.11 3.64 -0.83 -2.18 116.57 119.77 2aw3 h LYS 379 Ca 0.19 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2aw3 h LYS 379 Cb 0.42 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 2aw3 h LYS 379 CO 0.01 0.35 -0.44 1.15 -2.27 0.00 0.00 179.45 178.24 2aw3 h THR 380 N 0.54 0.12 0.00 1.00 2.02 -1.45 0.45 112.91 115.59 2aw3 h THR 380 Ca 0.49 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.60 2aw3 h THR 380 Cb 1.03 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2aw3 h THR 380 CO -0.23 0.00 -0.34 0.25 0.37 0.00 0.00 175.52 175.58 2aw3 h LEU 381 N -0.60 0.00 -0.85 2.58 5.85 -1.53 -1.79 115.31 118.97 2aw3 h LEU 381 Ca 0.04 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2aw3 h LEU 381 Cb 0.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2aw3 h LEU 381 CO -0.32 0.34 -0.56 0.58 -0.34 0.00 0.00 178.44 178.13 2aw3 h VAL 382 N 0.00 1.40 -0.04 1.05 2.07 -1.15 -2.83 116.25 116.75 2aw3 h VAL 382 Ca -0.00 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 65.50 2aw3 h VAL 382 Cb 0.66 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2aw3 h VAL 382 CO 0.04 0.55 -0.37 -0.08 0.02 0.00 0.00 177.57 177.73 2aw3 h GLU 383 N 0.03 0.31 -0.19 1.57 4.57 -0.45 -1.65 114.58 118.77 2aw3 h GLU 383 Ca -0.00 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2aw3 h GLU 383 Cb 1.00 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2aw3 h GLU 383 CO 0.08 0.96 0.13 -0.22 -1.18 0.00 0.00 179.01 178.77 2aw3 h LYS 384 N -0.23 0.19 0.00 1.92 3.64 -1.43 -1.51 116.57 119.16 2aw3 h LYS 384 Ca -0.04 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.01 2aw3 h LYS 384 Cb 1.06 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 2aw3 h LYS 384 CO 0.07 0.13 -1.94 2.41 -2.27 0.00 0.00 179.45 177.85 2aw3 n THR 385 N -4.51 1.54 -3.22 1.00 -1.04 -1.07 -4.55 114.28 102.43 2aw3 n THR 385 Ca 0.00 -0.82 -0.24 0.00 -2.04 0.00 0.00 64.05 60.95 2aw3 n THR 385 Cb 0.12 -0.84 -0.07 0.00 -1.82 0.00 0.00 70.33 67.72 2aw3 n THR 385 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2aw3 n TRP 386 N -2.95 0.25 -1.59 -1.42 8.01 -0.63 -5.10 117.44 114.02 2aw3 n TRP 386 Ca -0.22 -3.66 -0.51 0.00 -1.31 0.00 0.00 57.50 51.80 2aw3 n TRP 386 Cb 1.09 -0.38 -0.05 0.00 -2.01 0.00 0.00 31.31 29.95 2aw3 n TRP 386 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 2aw3 n PRO 387 N 1.25 1.22 -0.52 -0.99 -0.02 -0.57 -1.97 135.00 133.39 2aw3 n PRO 387 Ca 0.23 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2aw3 n PRO 387 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2aw3 n PRO 387 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw3 n GLY 388 N 2.45 0.17 3.55 -1.23 0.00 -1.26 -4.91 105.19 103.96 2aw3 n GLY 388 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2aw3 n GLY 388 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aw3 s ASP 389 N -2.15 6.01 0.42 1.61 -1.08 -0.83 -4.83 116.67 115.81 2aw3 s ASP 389 Ca 0.00 -0.48 0.22 0.00 -0.52 0.00 0.00 52.55 51.77 2aw3 s ASP 389 Cb 0.00 -2.56 0.37 0.00 -1.46 0.00 0.00 42.92 39.27 2aw3 s ASP 389 CO 0.00 -1.92 1.61 -0.33 0.52 0.00 0.00 175.17 175.04 2aw3 h GLU 390 N 10.93 0.00 -0.41 4.34 4.39 -1.90 -2.99 114.58 128.93 2aw3 h GLU 390 Ca -0.18 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.39 2aw3 h GLU 390 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2aw3 h GLU 390 CO 1.29 0.10 -0.23 -0.22 -1.16 0.00 0.00 179.01 178.79 2aw3 h LYS 391 N 0.00 0.88 0.03 2.33 1.63 -1.99 -2.69 116.57 116.76 2aw3 h LYS 391 Ca -0.00 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2aw3 h LYS 391 Cb 1.03 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2aw3 h LYS 391 CO 0.01 1.04 -0.02 0.28 -3.45 0.00 0.00 179.45 177.32 2aw3 h VAL 392 N 0.69 1.26 -0.95 2.00 2.07 -1.97 -3.04 116.25 116.31 2aw3 h VAL 392 Ca 0.09 -0.94 0.18 0.00 0.82 0.00 0.00 66.70 66.85 2aw3 h VAL 392 Cb 0.80 1.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 2aw3 h VAL 392 CO 0.07 0.24 0.61 -0.25 0.02 0.00 0.00 177.57 178.25 2aw3 h TRP 393 N -0.46 0.85 0.00 1.57 2.91 -1.60 0.20 115.95 119.42 2aw3 h TRP 393 Ca -0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 2aw3 h TRP 393 Cb 0.42 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2aw3 h TRP 393 CO 0.06 0.24 -0.04 0.00 -1.03 0.00 0.00 178.44 177.67 2aw3 h ALA 394 N 1.61 1.09 0.02 2.65 0.00 -1.37 -1.54 119.26 121.73 2aw3 h ALA 394 Ca 0.51 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 55.03 2aw3 h ALA 394 Cb 0.93 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2aw3 h ALA 394 CO -0.27 0.05 -2.20 1.17 0.00 0.00 0.00 179.25 178.00 2aw3 n LYS 395 N -3.27 0.68 0.09 0.00 4.81 0.53 -4.49 118.16 116.51 2aw3 n LYS 395 Ca -0.01 0.14 0.12 0.00 -0.87 0.00 0.00 58.31 57.68 2aw3 n LYS 395 Cb 0.20 -1.61 0.10 0.00 0.02 0.00 0.00 35.03 33.74 2aw3 n LYS 395 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2aw3 h LEU 396 N 0.01 0.00 -9.95 3.14 3.38 -1.06 -3.49 115.31 107.34 2aw3 h LEU 396 Ca -0.48 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 56.85 2aw3 h LEU 396 Cb 2.08 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.91 2aw3 h LEU 396 CO 0.02 0.06 0.59 0.00 0.09 0.00 0.00 178.44 179.20 2aw3 s ALA 397 N -3.25 3.21 0.04 1.53 0.00 -0.59 -4.94 121.76 117.78 2aw3 s ALA 397 Ca 0.04 1.18 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 2aw3 s ALA 397 Cb 0.11 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 2aw3 s ALA 397 CO 0.74 -0.80 1.21 0.28 0.00 0.00 0.00 175.76 177.20 2aw3 h VAL 398 N 2.38 1.37 -3.21 0.00 2.07 -1.90 -3.43 116.25 113.52 2aw3 h VAL 398 Ca -0.49 -1.90 -0.67 0.00 0.82 0.00 0.00 66.70 64.46 2aw3 h VAL 398 Cb 1.25 2.25 -0.32 0.00 -1.52 0.00 0.00 31.29 32.94 2aw3 h VAL 398 CO 0.62 0.57 -0.83 -0.69 0.02 0.00 0.00 177.57 177.26 2aw3 s VAL 399 N -3.59 2.40 -0.21 2.57 1.01 -1.26 -0.54 120.40 120.77 2aw3 s VAL 399 Ca -0.12 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 2aw3 s VAL 399 Cb 0.06 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.50 2aw3 s VAL 399 CO 0.84 0.52 0.71 -2.28 0.00 0.00 0.00 175.10 174.89 2aw3 s HIS 400 N 1.01 -0.75 -1.34 5.22 5.04 -0.82 -4.98 115.29 118.67 2aw3 s HIS 400 Ca -0.02 1.70 -0.00 0.00 -1.54 0.00 0.00 55.06 55.20 2aw3 s HIS 400 Cb -0.15 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.78 2aw3 s HIS 400 CO -0.04 -0.44 0.60 -3.47 -2.34 0.00 0.00 174.74 169.05 2aw3 n ASP 401 N 2.20 -0.87 -2.08 9.88 2.03 -1.26 -2.34 116.55 124.11 2aw3 n ASP 401 Ca -0.15 -0.88 -0.16 0.00 0.52 0.00 0.00 54.79 54.11 2aw3 n ASP 401 Cb 0.56 -3.71 -0.03 0.00 -0.72 0.00 0.00 41.12 37.21 2aw3 n ASP 401 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2aw3 n LYS 402 N -4.32 -1.76 -4.20 -0.67 5.02 -1.26 -4.97 118.16 106.00 2aw3 n LYS 402 Ca -0.30 0.84 -0.16 0.00 -2.02 0.00 0.00 58.31 56.67 2aw3 n LYS 402 Cb 0.68 -5.35 -0.14 0.00 -0.02 0.00 0.00 35.03 30.20 2aw3 n LYS 402 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2aw3 s GLN 403 N -4.44 0.53 -0.05 1.97 -0.21 -0.99 -1.16 119.66 115.31 2aw3 s GLN 403 Ca 0.00 -0.34 -0.18 0.00 0.02 0.00 0.00 55.36 54.86 2aw3 s GLN 403 Cb 0.00 -0.48 -0.05 0.00 1.00 0.00 0.00 33.01 33.48 2aw3 s GLN 403 CO 0.00 0.12 0.49 0.08 -2.12 0.00 0.00 175.29 173.87 2aw3 s VAL 404 N -0.40 5.06 -0.51 1.09 1.01 0.17 -1.94 120.40 124.87 2aw3 s VAL 404 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 2aw3 s VAL 404 Cb -0.04 -3.83 0.13 0.00 0.00 0.00 0.00 36.38 32.64 2aw3 s VAL 404 CO -0.00 0.42 0.42 -1.00 0.00 0.00 0.00 175.10 174.94 2aw3 s HIS 405 N -0.06 3.36 0.12 5.22 0.09 0.30 -1.87 115.29 122.45 2aw3 s HIS 405 Ca 0.27 -1.64 -0.13 0.00 -0.00 0.00 0.00 55.06 53.55 2aw3 s HIS 405 Cb -0.16 -3.63 -0.06 0.00 -0.00 0.00 0.00 32.58 28.72 2aw3 s HIS 405 CO 0.13 -1.00 1.46 0.52 -0.00 0.00 0.00 174.74 175.85 2aw3 h MET 406 N 8.61 0.79 -0.88 1.40 2.86 -1.67 -2.15 114.93 123.88 2aw3 h MET 406 Ca -0.24 -0.39 0.09 0.00 -2.06 0.00 0.00 59.70 57.11 2aw3 h MET 406 Cb 1.08 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 2aw3 h MET 406 CO 0.93 1.01 0.57 0.00 1.06 0.00 0.00 176.91 180.49 2aw3 h ALA 407 N 0.76 1.64 -0.71 6.32 0.00 -1.91 -1.15 119.26 124.21 2aw3 h ALA 407 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2aw3 h ALA 407 Cb 0.83 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2aw3 h ALA 407 CO 0.07 0.18 0.34 -0.91 0.00 0.00 0.00 179.25 178.93 2aw3 h ASN 408 N 0.88 0.93 -0.86 0.00 2.35 -1.81 -1.44 115.58 115.63 2aw3 h ASN 408 Ca 0.41 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2aw3 h ASN 408 Cb 0.40 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2aw3 h ASN 408 CO -0.17 0.80 0.50 0.25 -1.65 0.00 0.00 177.43 177.16 2aw3 h LEU 409 N 0.99 1.05 -0.49 1.61 5.85 -0.81 -1.51 115.31 122.01 2aw3 h LEU 409 Ca 0.24 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2aw3 h LEU 409 Cb 0.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2aw3 h LEU 409 CO -0.03 0.83 0.07 0.00 -0.34 0.00 0.00 178.44 178.97 2aw3 h VAL 411 N 0.70 1.43 -0.21 0.00 3.04 -0.91 -2.73 116.25 117.56 2aw3 h VAL 411 Ca 0.15 -2.34 -0.13 0.00 -1.01 0.00 0.00 66.70 63.37 2aw3 h VAL 411 Cb 0.41 2.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.95 2aw3 h VAL 411 CO 0.01 0.69 -0.43 0.58 -1.01 0.00 0.00 177.57 177.41 2aw3 h VAL 412 N 0.18 1.31 0.00 1.51 2.07 -1.19 -3.34 116.25 116.78 2aw3 h VAL 412 Ca -0.04 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2aw3 h VAL 412 Cb 1.38 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2aw3 h VAL 412 CO 0.13 0.50 -0.90 0.61 0.02 0.00 0.00 177.57 177.92 2aw3 n GLY 413 N 0.00 -1.17 3.05 2.17 0.00 0.36 -4.94 105.19 104.67 2aw3 n GLY 413 Ca -0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 2aw3 n GLY 413 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw3 n GLY 414 N 1.43 2.38 0.04 -0.02 0.00 -1.04 -4.02 105.19 103.96 2aw3 n GLY 414 Ca 0.03 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 43.88 2aw3 n GLY 414 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2aw3 n PHE 415 N -1.76 0.00 -3.83 1.61 1.16 -0.72 -4.93 117.46 108.99 2aw3 n PHE 415 Ca 0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.52 2aw3 n PHE 415 Cb 0.48 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.27 2aw3 n PHE 415 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2aw3 s ALA 416 N -2.31 -0.46 -0.02 1.98 0.00 -1.26 -4.75 121.76 114.94 2aw3 s ALA 416 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2aw3 s ALA 416 Cb 0.11 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2aw3 s ALA 416 CO 0.57 -0.29 0.01 0.08 0.00 0.00 0.00 175.76 176.14 2aw3 s VAL 417 N -1.86 0.08 0.05 0.00 1.01 -0.32 -1.18 120.40 118.19 2aw3 s VAL 417 Ca -0.11 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2aw3 s VAL 417 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2aw3 s VAL 417 CO 0.00 0.12 -0.07 0.54 0.00 0.00 0.00 175.10 175.68 2aw3 s ASN 418 N 0.97 0.85 0.27 3.32 4.22 -0.84 -0.17 114.94 123.56 2aw3 s ASN 418 Ca -0.09 -0.62 0.04 0.00 -2.14 0.00 0.00 52.86 50.05 2aw3 s ASN 418 Cb -0.13 0.05 0.04 0.00 1.28 0.00 0.00 41.25 42.49 2aw3 s ASN 418 CO -0.02 -0.25 0.33 0.61 -2.04 0.00 0.00 177.10 175.73 2aw3 n GLY 419 N 1.24 2.16 0.00 0.45 0.00 -0.77 -2.00 105.19 106.27 2aw3 n GLY 419 Ca -0.21 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.62 2aw3 n GLY 419 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aw3 n VAL 420 N -1.48 0.06 -3.86 1.61 0.24 -1.26 -2.07 118.33 111.57 2aw3 n VAL 420 Ca 0.06 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 2aw3 n VAL 420 Cb 0.28 1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 2aw3 n VAL 420 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aw3 s ALA 421 N -0.06 -0.39 0.17 2.33 0.00 -1.26 -1.16 121.76 121.39 2aw3 s ALA 421 Ca 0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2aw3 s ALA 421 Cb 0.00 0.82 0.11 0.00 0.00 0.00 0.00 23.12 24.06 2aw3 s ALA 421 CO 0.00 -0.69 1.78 0.00 0.00 0.00 0.00 175.76 176.84 2aw3 h ALA 422 N 2.42 0.58 -0.68 0.00 0.00 -1.90 0.47 119.26 120.15 2aw3 h ALA 422 Ca -0.31 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2aw3 h ALA 422 Cb 1.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2aw3 h ALA 422 CO 0.45 -0.14 0.45 1.25 0.00 0.00 0.00 179.25 181.26 2aw3 h LEU 423 N 0.44 0.78 -0.36 0.00 6.46 -1.91 -2.53 115.31 118.18 2aw3 h LEU 423 Ca 0.21 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 2aw3 h LEU 423 Cb 0.13 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2aw3 h LEU 423 CO -0.16 0.56 -0.17 -0.74 -0.62 0.00 0.00 178.44 177.32 2aw3 h HIS 424 N 0.92 0.86 0.00 1.25 2.76 -1.66 -2.41 115.15 116.87 2aw3 h HIS 424 Ca 0.25 -0.21 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2aw3 h HIS 424 Cb -0.11 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.65 2aw3 h HIS 424 CO -0.03 0.94 -0.06 0.77 -1.30 0.00 0.00 177.93 178.25 2aw3 h SER 425 N 0.54 0.00 -0.05 3.26 0.02 -0.81 -0.53 113.55 115.98 2aw3 h SER 425 Ca 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2aw3 h SER 425 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2aw3 h SER 425 CO 0.05 0.06 -0.28 -0.78 -1.14 0.00 0.00 176.83 174.74 2aw3 h ASP 426 N 0.00 0.33 0.53 3.07 3.58 -1.35 -3.16 116.42 119.42 2aw3 h ASP 426 Ca -0.00 -0.67 -0.09 0.00 0.42 0.00 0.00 57.03 56.69 2aw3 h ASP 426 Cb 0.54 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2aw3 h ASP 426 CO 0.01 0.95 -0.42 -0.07 -2.88 0.00 0.00 179.24 176.83 2aw3 h LEU 427 N -0.26 0.00 -0.72 2.28 3.38 -0.87 -1.51 115.31 117.61 2aw3 h LEU 427 Ca -0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2aw3 h LEU 427 Cb 0.95 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2aw3 h LEU 427 CO 0.06 0.42 0.38 0.58 0.09 0.00 0.00 178.44 179.97 2aw3 h VAL 428 N 0.00 0.90 0.00 1.22 2.07 -1.20 0.46 116.25 119.70 2aw3 h VAL 428 Ca -0.00 -0.23 -0.22 0.00 0.82 0.00 0.00 66.70 67.07 2aw3 h VAL 428 Cb 0.80 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2aw3 h VAL 428 CO 0.05 0.12 -1.15 0.58 0.02 0.00 0.00 177.57 177.20 2aw3 h VAL 429 N 0.67 1.35 0.06 2.57 2.07 -1.40 0.54 116.25 122.10 2aw3 h VAL 429 Ca 0.34 -3.04 -0.35 0.00 0.82 0.00 0.00 66.70 64.47 2aw3 h VAL 429 Cb 0.31 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 2aw3 h VAL 429 CO -0.24 0.77 -2.01 0.29 0.02 0.00 0.00 177.57 176.40 2aw3 n LYS 430 N -3.24 0.67 -0.10 1.57 5.02 -0.61 -2.66 118.16 118.82 2aw3 n LYS 430 Ca -0.05 0.31 -0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2aw3 n LYS 430 Cb 0.94 -1.65 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 2aw3 n LYS 430 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2aw3 n ASP 431 N -3.73 0.67 -0.11 4.39 8.00 0.12 -4.45 116.55 121.44 2aw3 n ASP 431 Ca -0.38 -0.02 -0.25 0.00 0.71 0.00 0.00 54.79 54.85 2aw3 n ASP 431 Cb 0.94 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 42.65 2aw3 n ASP 431 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2aw3 n LEU 432 N -2.79 2.07 -2.56 0.64 7.94 -1.03 -4.75 117.00 116.52 2aw3 n LEU 432 Ca -0.33 0.32 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2aw3 n LEU 432 Cb 1.09 -0.91 0.04 0.00 0.53 0.00 0.00 43.42 44.16 2aw3 n LEU 432 CO 0.37 0.51 0.05 0.49 -1.11 0.00 0.00 177.39 177.70 2aw3 n PHE 433 N -4.17 1.81 -0.21 1.96 3.72 0.17 -4.94 117.46 115.80 2aw3 n PHE 433 Ca -0.43 -2.29 -0.02 0.00 -0.05 0.00 0.00 57.45 54.66 2aw3 n PHE 433 Cb 0.83 -0.27 0.09 0.00 -0.94 0.00 0.00 39.48 39.18 2aw3 n PHE 433 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aw3 h PRO 434 N 2.53 0.59 -0.68 -1.08 0.13 -1.72 -0.31 132.00 131.45 2aw3 h PRO 434 Ca 0.04 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 2aw3 h PRO 434 Cb 1.32 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2aw3 h PRO 434 CO 0.42 0.39 0.12 0.93 -0.23 0.00 0.00 178.00 179.63 2aw3 h GLU 435 N 0.61 1.12 -0.01 0.86 3.07 -1.92 -1.43 114.58 116.87 2aw3 h GLU 435 Ca 0.28 -0.30 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 2aw3 h GLU 435 Cb 0.19 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2aw3 h GLU 435 CO -0.19 1.02 -0.51 1.88 -1.40 0.00 0.00 179.01 179.81 2aw3 h TYR 436 N 1.04 0.04 -0.19 4.33 0.05 -1.85 -2.28 116.97 118.11 2aw3 h TYR 436 Ca 0.21 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.93 2aw3 h TYR 436 Cb 0.43 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 2aw3 h TYR 436 CO 0.03 0.54 -0.04 1.25 -1.05 0.00 0.00 178.16 178.89 2aw3 h HIS 437 N 0.03 0.41 -0.68 4.88 2.76 -0.82 -0.35 115.15 121.38 2aw3 h HIS 437 Ca -0.00 -0.09 0.14 0.00 -2.20 0.00 0.00 60.37 58.22 2aw3 h HIS 437 Cb 0.92 -0.10 -0.10 0.00 1.55 0.00 0.00 27.41 29.68 2aw3 h HIS 437 CO 0.00 0.61 0.18 1.96 -1.30 0.00 0.00 177.93 179.38 2aw3 h GLN 438 N 0.09 0.29 -0.18 5.26 4.20 -1.01 0.08 115.11 123.84 2aw3 h GLN 438 Ca 0.05 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2aw3 h GLN 438 Cb 0.47 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2aw3 h GLN 438 CO 0.02 0.19 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.21 2aw3 h LEU 439 N 0.30 0.39 -6.00 1.46 3.38 -1.30 -3.38 115.31 110.15 2aw3 h LEU 439 Ca 0.37 -0.41 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 2aw3 h LEU 439 Cb 0.59 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 40.82 2aw3 h LEU 439 CO -0.44 0.72 -0.89 0.79 0.09 0.00 0.00 178.44 178.71 2aw3 n TRP 440 N -4.59 1.59 0.25 1.13 8.01 -0.15 -4.97 117.44 118.70 2aw3 n TRP 440 Ca -0.05 -3.85 0.08 0.00 -1.31 0.00 0.00 57.50 52.37 2aw3 n TRP 440 Cb 0.31 -0.45 0.62 0.00 -2.01 0.00 0.00 31.31 29.79 2aw3 n TRP 440 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2aw3 h PRO 441 N 3.85 0.00 0.00 -0.99 0.13 -1.18 -2.98 132.00 130.83 2aw3 h PRO 441 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2aw3 h PRO 441 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2aw3 h PRO 441 CO 0.64 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 2aw3 n ASN 442 N -4.31 0.00 -0.09 1.44 3.02 -1.26 -3.89 115.26 110.16 2aw3 n ASN 442 Ca -0.03 0.24 0.11 0.00 -0.03 0.00 0.00 54.58 54.87 2aw3 n ASN 442 Cb 0.16 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2aw3 n ASN 442 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2aw3 n LYS 443 N -1.39 0.24 -3.55 3.52 2.85 -1.12 -4.93 118.16 113.78 2aw3 n LYS 443 Ca 0.07 -0.19 -0.38 0.00 -1.05 0.00 0.00 58.31 56.77 2aw3 n LYS 443 Cb 0.20 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.02 2aw3 n LYS 443 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2aw3 s PHE 444 N -2.89 3.69 0.19 5.58 0.40 -1.25 -1.18 117.98 122.52 2aw3 s PHE 444 Ca 0.11 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.32 2aw3 s PHE 444 Cb 0.17 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 2aw3 s PHE 444 CO 0.77 0.62 0.16 -1.01 0.70 0.00 0.00 175.22 176.46 2aw3 s HIS 445 N -0.93 0.95 -0.05 0.36 3.76 0.77 -4.95 115.29 115.19 2aw3 s HIS 445 Ca 0.22 -1.23 0.04 0.00 -0.15 0.00 0.00 55.06 53.94 2aw3 s HIS 445 Cb -0.16 -0.42 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 2aw3 s HIS 445 CO 0.12 -0.66 -0.15 1.21 -0.85 0.00 0.00 174.74 174.40 2aw3 s ASN 446 N -3.11 3.92 -0.19 1.40 3.04 -1.26 -1.85 114.94 116.89 2aw3 s ASN 446 Ca 0.32 -0.23 -0.03 0.00 0.04 0.00 0.00 52.86 52.96 2aw3 s ASN 446 Cb 0.06 -0.84 0.06 0.00 -1.54 0.00 0.00 41.25 38.99 2aw3 s ASN 446 CO 0.09 0.33 0.04 -0.69 -3.04 0.00 0.00 177.10 173.83 2aw3 s VAL 447 N -0.66 0.44 0.14 -5.21 1.01 -0.88 -4.92 120.40 110.32 2aw3 s VAL 447 Ca 0.10 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 2aw3 s VAL 447 Cb -0.11 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 2aw3 s VAL 447 CO 0.01 -0.23 1.43 -0.89 0.00 0.00 0.00 175.10 175.41 2aw3 s THR 448 N 1.90 3.09 1.00 3.92 2.01 -1.26 -4.11 115.64 122.19 2aw3 s THR 448 Ca -0.00 0.80 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2aw3 s THR 448 Cb -0.17 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2aw3 s THR 448 CO -0.08 0.07 -0.13 0.59 -0.69 0.00 0.00 174.62 174.38 2aw3 n ASN 449 N 3.72 -3.17 -3.46 3.53 3.02 -0.31 -4.56 115.26 114.04 2aw3 n ASN 449 Ca 0.11 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.73 2aw3 n ASN 449 Cb 0.41 -0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 2aw3 n ASN 449 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2aw3 s GLY 450 N -1.65 0.77 0.09 7.41 0.00 -1.26 -4.86 107.32 107.82 2aw3 s GLY 450 Ca 0.51 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 44.23 2aw3 s GLY 450 CO 0.71 -0.63 -0.08 -0.26 0.00 0.00 0.00 173.10 172.83 2aw3 s ILE 451 N -3.25 0.79 -0.15 0.90 -5.25 -0.02 -4.52 121.20 109.69 2aw3 s ILE 451 Ca 0.23 -1.66 -0.23 0.00 -0.99 0.00 0.00 60.65 58.00 2aw3 s ILE 451 Cb -0.02 -1.35 -0.02 0.00 2.95 0.00 0.00 42.46 44.01 2aw3 s ILE 451 CO 0.13 -0.65 0.73 0.28 -1.79 0.00 0.00 174.94 173.65 2aw3 s THR 452 N -2.70 4.97 0.15 8.37 -1.32 -1.26 -0.57 115.64 123.28 2aw3 s THR 452 Ca 0.05 1.44 0.34 0.00 -1.21 0.00 0.00 61.69 62.32 2aw3 s THR 452 Cb -0.01 -4.05 0.38 0.00 -1.51 0.00 0.00 72.50 67.31 2aw3 s THR 452 CO -0.02 0.11 2.03 -0.65 -2.21 0.00 0.00 174.62 173.89 2aw3 h PRO 453 N 7.23 0.00 0.00 7.08 0.11 -1.95 -0.86 132.00 143.61 2aw3 h PRO 453 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2aw3 h PRO 453 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2aw3 h PRO 453 CO 0.79 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.12 2aw3 n ARG 454 N -2.93 0.00 -0.12 1.05 3.00 -1.26 -2.19 116.66 114.21 2aw3 n ARG 454 Ca -0.00 0.34 -0.05 0.00 -0.01 0.00 0.00 57.85 58.13 2aw3 n ARG 454 Cb 0.22 -1.23 0.03 0.00 0.00 0.00 0.00 32.46 31.48 2aw3 n ARG 454 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2aw3 h ARG 455 N 0.00 0.25 -0.00 5.56 2.43 -1.97 -2.12 114.38 118.52 2aw3 h ARG 455 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2aw3 h ARG 455 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2aw3 h ARG 455 CO 0.00 0.16 -0.14 0.91 -1.51 0.00 0.00 179.97 179.40 2aw3 n TRP 456 N -5.05 0.00 0.08 2.20 7.02 -0.33 -2.58 117.44 118.78 2aw3 n TRP 456 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2aw3 n TRP 456 Cb 0.16 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.85 2aw3 n TRP 456 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2aw3 n ILE 457 N -1.01 0.26 -0.15 -0.99 5.41 -1.03 -4.70 119.36 117.14 2aw3 n ILE 457 Ca 0.13 0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.93 2aw3 n ILE 457 Cb 0.29 -0.84 0.05 0.00 -0.71 0.00 0.00 39.64 38.43 2aw3 n ILE 457 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2aw3 h LYS 458 N 0.00 0.39 0.00 0.38 3.64 -0.93 -0.71 116.57 119.34 2aw3 h LYS 458 Ca 0.00 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2aw3 h LYS 458 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2aw3 h LYS 458 CO 0.00 0.26 -0.92 0.37 -2.27 0.00 0.00 179.45 176.89 2aw3 h GLN 459 N 0.40 0.00 0.00 1.90 4.15 -1.47 -3.34 115.11 116.75 2aw3 h GLN 459 Ca 0.22 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.47 2aw3 h GLN 459 Cb 0.19 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 2aw3 h GLN 459 CO -0.20 0.90 -0.83 0.00 -1.93 0.00 0.00 178.83 176.77 2aw3 n ASN 461 N -3.39 3.38 0.24 0.00 2.85 -0.27 -4.86 115.26 113.21 2aw3 n ASN 461 Ca 0.00 -3.42 0.09 0.00 -0.11 0.00 0.00 54.58 51.14 2aw3 n ASN 461 Cb 0.85 -0.62 0.60 0.00 1.24 0.00 0.00 39.78 41.85 2aw3 n ASN 461 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2aw3 h PRO 462 N 3.59 0.00 -0.20 1.20 0.13 -1.68 -1.35 132.00 133.68 2aw3 h PRO 462 Ca 0.15 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.13 2aw3 h PRO 462 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2aw3 h PRO 462 CO 0.76 0.17 -0.51 0.00 -0.23 0.00 0.00 178.00 178.18 2aw3 h ALA 463 N 1.83 0.73 -0.12 -0.56 0.00 -1.91 -0.76 119.26 118.48 2aw3 h ALA 463 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2aw3 h ALA 463 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2aw3 h ALA 463 CO 0.02 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.20 2aw3 h LEU 464 N 0.44 0.21 -0.74 0.00 5.85 -1.69 -1.93 115.31 117.45 2aw3 h LEU 464 Ca 0.02 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.52 2aw3 h LEU 464 Cb 1.05 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2aw3 h LEU 464 CO 0.10 0.47 0.39 0.00 -0.34 0.00 0.00 178.44 179.06 2aw3 h ALA 465 N 0.75 1.03 -0.64 1.25 0.00 -1.17 0.86 119.26 121.35 2aw3 h ALA 465 Ca 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2aw3 h ALA 465 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2aw3 h ALA 465 CO 0.01 0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.44 2aw3 h ALA 466 N 1.43 1.10 -0.49 0.00 0.00 -1.10 0.78 119.26 120.98 2aw3 h ALA 466 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2aw3 h ALA 466 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2aw3 h ALA 466 CO -0.25 0.60 0.32 1.25 0.00 0.00 0.00 179.25 181.17 2aw3 h LEU 467 N 0.95 0.57 -0.46 0.00 5.85 -0.41 -1.66 115.31 120.15 2aw3 h LEU 467 Ca 0.21 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2aw3 h LEU 467 Cb 0.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2aw3 h LEU 467 CO -0.00 0.42 0.29 -0.07 -0.34 0.00 0.00 178.44 178.74 2aw3 h LEU 468 N 0.67 0.49 -0.84 2.25 3.38 -0.41 -0.89 115.31 119.96 2aw3 h LEU 468 Ca 0.18 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2aw3 h LEU 468 Cb -0.07 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2aw3 h LEU 468 CO -0.04 0.35 0.53 0.44 0.09 0.00 0.00 178.44 179.81 2aw3 h ASP 469 N 0.59 0.84 0.09 -0.43 3.32 -0.67 -1.77 116.42 118.39 2aw3 h ASP 469 Ca 0.17 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 2aw3 h ASP 469 Cb -0.04 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2aw3 h ASP 469 CO -0.05 0.55 -0.55 0.50 -1.72 0.00 0.00 179.24 177.96 2aw3 h LYS 470 N 0.98 0.49 0.00 3.56 3.64 -0.85 -3.26 116.57 121.12 2aw3 h LYS 470 Ca 0.36 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2aw3 h LYS 470 Cb 0.13 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2aw3 h LYS 470 CO -0.16 0.91 -0.99 0.43 -2.27 0.00 0.00 179.45 177.37 2aw3 n SER 471 N -3.95 0.81 -4.60 4.20 7.64 -0.38 -4.93 113.62 112.42 2aw3 n SER 471 Ca -0.03 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.83 2aw3 n SER 471 Cb 0.60 0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 64.17 2aw3 n SER 471 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2aw3 s LEU 472 N -5.19 3.13 0.11 -3.43 1.43 -0.68 -4.98 118.68 109.08 2aw3 s LEU 472 Ca 0.00 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2aw3 s LEU 472 Cb 0.10 -1.90 -0.14 0.00 0.03 0.00 0.00 46.19 44.28 2aw3 s LEU 472 CO 0.79 0.19 1.26 -0.61 0.23 0.00 0.00 176.35 178.21 2aw3 h GLN 473 N 3.72 0.46 -6.07 1.70 4.15 -1.89 -3.46 115.11 113.72 2aw3 h GLN 473 Ca -0.49 -0.52 -0.54 0.00 0.77 0.00 0.00 58.65 57.88 2aw3 h GLN 473 Cb 1.17 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.94 2aw3 h GLN 473 CO 0.54 1.17 -0.51 0.15 -1.93 0.00 0.00 178.83 178.24 2aw3 s LYS 474 N -3.22 2.37 0.23 1.69 1.02 -1.26 -5.08 119.74 115.50 2aw3 s LYS 474 Ca -0.07 -1.59 -0.31 0.00 0.02 0.00 0.00 55.97 54.02 2aw3 s LYS 474 Cb 0.08 -2.17 -0.11 0.00 -0.52 0.00 0.00 37.83 35.11 2aw3 s LYS 474 CO 0.88 0.04 1.62 -2.00 -0.92 0.00 0.00 175.35 174.97 2aw3 s GLU 475 N -3.89 4.16 -0.08 1.68 2.56 -1.26 -4.91 118.70 116.96 2aw3 s GLU 475 Ca 0.39 2.51 0.14 0.00 0.00 0.00 0.00 54.97 58.02 2aw3 s GLU 475 Cb -0.01 -3.08 -0.21 0.00 2.00 0.00 0.00 34.13 32.83 2aw3 s GLU 475 CO 0.23 -0.65 0.19 -2.67 -0.56 0.00 0.00 175.26 171.81 2aw3 n TRP 476 N 3.23 0.00 0.25 5.30 4.27 -1.26 -4.46 117.44 124.76 2aw3 n TRP 476 Ca 0.12 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.84 2aw3 n TRP 476 Cb 0.37 -0.52 0.63 0.00 -1.36 0.00 0.00 31.31 30.43 2aw3 n TRP 476 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2aw3 h ALA 477 N 1.05 1.28 -0.32 -1.67 0.00 -1.94 -0.17 119.26 117.49 2aw3 h ALA 477 Ca -0.19 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2aw3 h ALA 477 Cb 1.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2aw3 h ALA 477 CO 0.01 0.21 -0.01 0.27 0.00 0.00 0.00 179.25 179.73 2aw3 n ASN 478 N -3.69 3.28 -2.75 0.00 0.23 -1.26 -4.45 115.26 106.61 2aw3 n ASN 478 Ca -0.02 -3.34 -0.09 0.00 -0.53 0.00 0.00 54.58 50.60 2aw3 n ASN 478 Cb 0.29 -0.59 0.08 0.00 -2.08 0.00 0.00 39.78 37.48 2aw3 n ASN 478 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2aw3 n ASP 479 N -0.81 -2.25 0.27 0.53 -0.08 -0.12 -5.04 116.55 109.06 2aw3 n ASP 479 Ca 0.27 -3.65 0.14 0.00 -1.51 0.00 0.00 54.79 50.04 2aw3 n ASP 479 Cb 0.97 1.82 0.76 0.00 2.34 0.00 0.00 41.12 47.01 2aw3 n ASP 479 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2aw3 h LEU 480 N 3.07 0.00 -1.85 -2.67 5.85 -1.71 -1.72 115.31 116.27 2aw3 h LEU 480 Ca -0.09 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2aw3 h LEU 480 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2aw3 h LEU 480 CO 0.16 0.10 0.47 0.44 -0.34 0.00 0.00 178.44 179.27 2aw3 h ASP 481 N 0.00 0.00 0.10 1.25 3.32 -1.87 -0.36 116.42 118.86 2aw3 h ASP 481 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aw3 h ASP 481 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2aw3 h ASP 481 CO 0.01 0.00 -0.02 1.56 -1.72 0.00 0.00 179.24 179.08 2aw3 h GLN 482 N 0.00 0.00 -0.08 3.56 1.08 -1.65 -2.46 115.11 115.57 2aw3 h GLN 482 Ca 0.13 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2aw3 h GLN 482 Cb 1.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2aw3 h GLN 482 CO -0.00 0.02 0.25 -0.07 -0.95 0.00 0.00 178.83 178.08 2aw3 h LEU 483 N 0.00 0.00 -2.19 1.46 4.07 -1.29 -2.09 115.31 115.27 2aw3 h LEU 483 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2aw3 h LEU 483 Cb 0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 2aw3 h LEU 483 CO 0.00 0.00 -0.06 -0.29 -1.08 0.00 0.00 178.44 177.01 2aw3 h ILE 484 N 0.00 0.58 0.00 1.22 6.09 -1.12 -2.09 117.51 122.19 2aw3 h ILE 484 Ca 0.04 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 2aw3 h ILE 484 Cb 0.54 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.00 2aw3 h ILE 484 CO -0.00 0.06 0.00 0.59 -3.07 0.00 0.00 178.15 175.73 2aw3 n ASN 485 N -3.79 0.00 0.17 2.19 3.02 -0.79 -2.50 115.26 113.57 2aw3 n ASN 485 Ca -0.02 0.05 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 2aw3 n ASN 485 Cb 0.16 -0.24 0.09 0.00 -0.61 0.00 0.00 39.78 39.17 2aw3 n ASN 485 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2aw3 h LEU 486 N 0.00 0.00 -0.66 3.41 3.38 -1.59 -3.38 115.31 116.47 2aw3 h LEU 486 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2aw3 h LEU 486 Cb 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 2aw3 h LEU 486 CO 0.00 0.22 -0.28 -0.33 0.09 0.00 0.00 178.44 178.15 2aw3 h GLU 487 N 0.00 -0.09 -0.29 1.13 5.08 -1.69 -1.05 114.58 117.67 2aw3 h GLU 487 Ca -0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2aw3 h GLU 487 Cb 1.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2aw3 h GLU 487 CO 0.03 -0.06 0.20 1.57 -1.00 0.00 0.00 179.01 179.75 2aw3 h LYS 488 N -0.09 0.07 0.00 2.33 2.10 -1.84 -0.23 116.57 118.91 2aw3 h LYS 488 Ca 0.28 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2aw3 h LYS 488 Cb 0.55 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2aw3 h LYS 488 CO -0.72 0.05 0.00 0.74 -2.00 0.00 0.00 179.45 177.52 2aw3 h PHE 489 N 0.07 0.00 0.00 0.07 0.04 -1.43 -2.74 116.94 112.95 2aw3 h PHE 489 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2aw3 h PHE 489 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2aw3 h PHE 489 CO -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2aw3 h ALA 490 N 2.02 1.00 0.00 2.45 0.00 -1.03 -2.16 119.26 121.54 2aw3 h ALA 490 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 490 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2aw3 h ALA 490 CO 0.00 0.00 -1.29 -0.25 0.00 0.00 0.00 179.25 177.71 2aw3 n ASP 491 N -2.82 0.56 -4.67 0.00 8.00 -1.03 -4.76 116.55 111.83 2aw3 n ASP 491 Ca -0.02 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 2aw3 n ASP 491 Cb 0.06 0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 2aw3 n ASP 491 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2aw3 s ASP 492 N -4.86 7.12 0.10 -2.24 -1.08 -0.81 -5.00 116.67 109.90 2aw3 s ASP 492 Ca -0.02 1.38 -0.19 0.00 -0.52 0.00 0.00 52.55 53.20 2aw3 s ASP 492 Cb 0.12 -2.52 -0.06 0.00 -1.46 0.00 0.00 42.92 38.99 2aw3 s ASP 492 CO 0.83 -0.49 1.64 0.00 0.52 0.00 0.00 175.17 177.67 2aw3 h ALA 493 N 7.26 0.33 -0.45 3.66 0.00 -1.90 -1.57 119.26 126.59 2aw3 h ALA 493 Ca -0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2aw3 h ALA 493 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2aw3 h ALA 493 CO 0.88 -0.07 0.23 -0.22 0.00 0.00 0.00 179.25 180.07 2aw3 h LYS 494 N 0.26 0.64 -0.48 0.00 3.64 -1.95 -1.34 116.57 117.34 2aw3 h LYS 494 Ca 0.08 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2aw3 h LYS 494 Cb 0.18 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 2aw3 h LYS 494 CO -0.01 0.52 0.22 0.35 -2.27 0.00 0.00 179.45 178.26 2aw3 h PHE 495 N 0.59 0.39 -0.58 1.91 3.04 -1.83 -1.17 116.94 119.29 2aw3 h PHE 495 Ca 0.16 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.21 2aw3 h PHE 495 Cb 0.08 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.42 2aw3 h PHE 495 CO -0.02 0.18 0.23 0.00 -2.02 0.00 0.00 178.31 176.68 2aw3 h ARG 496 N 0.43 0.41 -0.51 1.11 3.08 -0.98 -2.05 114.38 115.86 2aw3 h ARG 496 Ca 0.21 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 2aw3 h ARG 496 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2aw3 h ARG 496 CO -0.17 0.27 0.00 0.37 -1.07 0.00 0.00 179.97 179.37 2aw3 h GLN 497 N 0.42 0.86 -0.56 0.04 4.15 -0.87 -1.56 115.11 117.59 2aw3 h GLN 497 Ca 0.29 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 2aw3 h GLN 497 Cb 0.32 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2aw3 h GLN 497 CO -0.27 0.85 0.13 1.96 -1.93 0.00 0.00 178.83 179.57 2aw3 h GLN 498 N 0.80 0.89 -0.43 1.69 4.20 -0.89 -2.14 115.11 119.23 2aw3 h GLN 498 Ca 0.15 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 2aw3 h GLN 498 Cb 0.47 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2aw3 h GLN 498 CO 0.02 0.84 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.90 2aw3 h TYR 499 N 0.79 1.03 -0.27 2.96 5.03 -1.15 -2.12 116.97 123.24 2aw3 h TYR 499 Ca 0.17 -0.25 -0.15 0.00 2.58 0.00 0.00 58.73 61.09 2aw3 h TYR 499 Cb 0.35 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 2aw3 h TYR 499 CO 0.02 1.04 -0.42 -0.09 -1.32 0.00 0.00 178.16 177.39 2aw3 h ARG 500 N 0.72 0.67 -0.64 1.82 2.43 -1.24 -2.23 114.38 115.92 2aw3 h ARG 500 Ca 0.10 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 2aw3 h ARG 500 Cb 0.77 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2aw3 h ARG 500 CO 0.06 0.97 0.15 0.93 -1.51 0.00 0.00 179.97 180.57 2aw3 h GLU 501 N 0.55 1.00 0.28 0.20 5.08 -1.28 -0.05 114.58 120.35 2aw3 h GLU 501 Ca 0.04 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2aw3 h GLU 501 Cb 0.96 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2aw3 h GLU 501 CO 0.09 0.89 -0.16 0.82 -1.00 0.00 0.00 179.01 179.64 2aw3 h ILE 502 N 0.95 0.66 -0.39 3.13 2.04 -1.15 0.23 117.51 122.97 2aw3 h ILE 502 Ca 0.20 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.14 2aw3 h ILE 502 Cb 0.34 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 2aw3 h ILE 502 CO 0.00 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.54 2aw3 h LYS 503 N -0.42 -0.02 -0.56 2.37 1.63 -1.26 -0.75 116.57 117.55 2aw3 h LYS 503 Ca -0.03 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2aw3 h LYS 503 Cb 0.35 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 2aw3 h LYS 503 CO 0.04 -0.02 0.26 0.37 -3.45 0.00 0.00 179.45 176.65 2aw3 h GLN 504 N -0.02 0.81 -0.87 1.90 5.75 -0.79 -0.99 115.11 120.89 2aw3 h GLN 504 Ca 0.19 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2aw3 h GLN 504 Cb 0.31 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2aw3 h GLN 504 CO -0.41 0.67 0.55 0.00 -2.65 0.00 0.00 178.83 176.99 2aw3 h ALA 505 N 1.10 1.11 -0.63 3.38 0.00 -0.52 -1.27 119.26 122.43 2aw3 h ALA 505 Ca 0.19 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2aw3 h ALA 505 Cb 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2aw3 h ALA 505 CO -0.02 0.55 0.42 -0.91 0.00 0.00 0.00 179.25 179.29 2aw3 h ASN 506 N 1.20 0.69 0.27 0.00 2.35 -0.59 -1.83 115.58 117.67 2aw3 h ASN 506 Ca 0.32 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.89 2aw3 h ASN 506 Cb -0.08 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2aw3 h ASN 506 CO -0.06 0.49 -0.64 0.11 -1.65 0.00 0.00 177.43 175.68 2aw3 h LYS 507 N 0.81 0.35 -0.46 0.81 1.57 -0.23 -1.25 116.57 118.17 2aw3 h LYS 507 Ca 0.24 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2aw3 h LYS 507 Cb -0.02 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2aw3 h LYS 507 CO -0.06 0.87 -0.14 0.28 -0.57 0.00 0.00 179.45 179.83 2aw3 h VAL 508 N 0.25 1.27 -0.83 0.50 2.07 -0.59 -1.03 116.25 117.90 2aw3 h VAL 508 Ca -0.01 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2aw3 h VAL 508 Cb 1.18 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 2aw3 h VAL 508 CO 0.11 0.44 0.42 0.03 0.02 0.00 0.00 177.57 178.59 2aw3 h ARG 509 N 0.74 1.17 -0.45 1.57 3.08 -1.19 -2.63 114.38 116.67 2aw3 h ARG 509 Ca 0.11 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2aw3 h ARG 509 Cb 0.69 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2aw3 h ARG 509 CO 0.05 0.88 -0.25 1.25 -1.07 0.00 0.00 179.97 180.83 2aw3 h LEU 510 N 1.17 0.98 -0.69 3.04 5.85 -0.98 -2.18 115.31 122.50 2aw3 h LEU 510 Ca 0.29 -0.38 0.15 0.00 0.84 0.00 0.00 57.88 58.77 2aw3 h LEU 510 Cb 0.07 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 40.73 2aw3 h LEU 510 CO -0.04 1.17 0.09 0.00 -0.34 0.00 0.00 178.44 179.32 2aw3 h ALA 511 N 0.90 0.79 0.02 1.25 0.00 -1.07 0.15 119.26 121.30 2aw3 h ALA 511 Ca 0.10 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2aw3 h ALA 511 Cb 0.82 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2aw3 h ALA 511 CO 0.07 -0.37 -0.01 0.93 0.00 0.00 0.00 179.25 179.87 2aw3 h GLU 512 N 0.19 -0.03 -0.93 0.00 5.08 -1.14 -0.19 114.58 117.57 2aw3 h GLU 512 Ca 0.38 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 2aw3 h GLU 512 Cb 0.63 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2aw3 h GLU 512 CO -0.53 0.22 0.60 0.35 -1.00 0.00 0.00 179.01 178.65 2aw3 h PHE 513 N -0.27 1.03 -0.27 4.33 3.57 -0.88 -1.54 116.94 122.91 2aw3 h PHE 513 Ca -0.00 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 2aw3 h PHE 513 Cb 0.25 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2aw3 h PHE 513 CO 0.01 0.48 -0.43 0.28 -2.23 0.00 0.00 178.31 176.42 2aw3 h VAL 514 N 0.96 1.30 0.04 1.41 2.07 -0.07 -1.92 116.25 120.04 2aw3 h VAL 514 Ca 0.43 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2aw3 h VAL 514 Cb 0.36 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2aw3 h VAL 514 CO -0.19 0.52 -0.02 0.50 0.02 0.00 0.00 177.57 178.40 2aw3 h LYS 515 N 0.54 -0.05 -0.16 1.57 3.64 -0.08 -1.12 116.57 120.91 2aw3 h LYS 515 Ca 0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2aw3 h LYS 515 Cb 0.97 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2aw3 h LYS 515 CO 0.09 0.07 -0.22 -0.39 -2.27 0.00 0.00 179.45 176.73 2aw3 h VAL 516 N -0.16 1.23 0.00 2.00 -1.51 -1.25 0.59 116.25 117.15 2aw3 h VAL 516 Ca -0.01 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 2aw3 h VAL 516 Cb 0.14 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2aw3 h VAL 516 CO 0.01 0.32 -0.50 0.54 -1.23 0.00 0.00 177.57 176.71 2aw3 n ARG 517 N -4.18 0.22 0.00 5.19 5.12 -0.73 -4.59 116.66 117.68 2aw3 n ARG 517 Ca -0.01 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2aw3 n ARG 517 Cb 0.34 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 2aw3 n ARG 517 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2aw3 n THR 518 N -1.98 0.00 -0.52 0.55 -2.24 -0.44 -4.88 114.28 104.77 2aw3 n THR 518 Ca 0.04 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2aw3 n THR 518 Cb 0.41 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2aw3 n THR 518 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aw3 n GLY 519 N 0.11 1.58 3.78 3.38 0.00 0.20 -5.02 105.19 109.21 2aw3 n GLY 519 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2aw3 n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aw3 s ILE 520 N -3.38 4.87 -0.42 -0.61 1.01 -1.26 -4.94 121.20 116.46 2aw3 s ILE 520 Ca 0.00 1.22 -0.16 0.00 0.00 0.00 0.00 60.65 61.70 2aw3 s ILE 520 Cb 0.00 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2aw3 s ILE 520 CO 0.00 0.46 0.39 -0.70 0.00 0.00 0.00 174.94 175.09 2aw3 s GLU 521 N -0.46 3.05 -0.05 2.79 2.12 -1.26 -3.68 118.70 121.20 2aw3 s GLU 521 Ca 0.30 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 2aw3 s GLU 521 Cb -0.18 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 2aw3 s GLU 521 CO 0.17 -0.83 0.10 0.96 -0.54 0.00 0.00 175.26 175.12 2aw3 s ILE 522 N 1.97 4.96 -0.39 -3.70 -4.36 -1.26 -5.07 121.20 113.35 2aw3 s ILE 522 Ca 0.09 -0.19 -0.27 0.00 -0.26 0.00 0.00 60.65 60.03 2aw3 s ILE 522 Cb -0.18 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.33 2aw3 s ILE 522 CO 0.12 0.46 1.01 0.21 0.24 0.00 0.00 174.94 176.98 2aw3 s ASN 523 N -1.44 6.71 0.00 4.36 2.47 -1.26 -4.92 114.94 120.86 2aw3 s ASN 523 Ca 0.20 0.62 0.00 0.00 0.42 0.00 0.00 52.86 54.10 2aw3 s ASN 523 Cb -0.12 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2aw3 s ASN 523 CO 0.10 -0.97 0.63 -0.81 -3.72 0.00 0.00 177.10 172.33 2aw3 n PRO 524 N 7.07 0.69 0.04 0.43 -0.04 -1.26 -1.65 135.00 140.27 2aw3 n PRO 524 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2aw3 n PRO 524 Cb 0.48 -1.06 -0.05 0.00 -0.04 0.00 0.00 33.50 32.84 2aw3 n PRO 524 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2aw3 n GLN 525 N -0.39 0.52 -1.51 0.54 1.13 -1.26 -4.94 117.38 111.47 2aw3 n GLN 525 Ca 0.00 -0.01 -0.33 0.00 -1.94 0.00 0.00 57.00 54.72 2aw3 n GLN 525 Cb 0.03 -1.66 0.07 0.00 0.11 0.00 0.00 30.24 28.79 2aw3 n GLN 525 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aw3 s ALA 526 N -3.35 2.30 0.01 -1.58 0.00 -0.66 -4.95 121.76 113.53 2aw3 s ALA 526 Ca -0.01 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 2aw3 s ALA 526 Cb 0.12 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 2aw3 s ALA 526 CO 0.83 -1.59 1.80 0.42 0.00 0.00 0.00 175.76 177.22 2aw3 s ILE 527 N -2.45 3.19 -0.41 0.00 1.01 -0.41 -4.80 121.20 117.33 2aw3 s ILE 527 Ca 0.67 0.34 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 2aw3 s ILE 527 Cb -0.21 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2aw3 s ILE 527 CO 0.47 -0.02 0.78 -0.36 0.00 0.00 0.00 174.94 175.80 2aw3 s PHE 528 N 3.92 3.04 -0.33 3.97 0.40 -1.26 -0.76 117.98 126.96 2aw3 s PHE 528 Ca 0.80 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 57.37 2aw3 s PHE 528 Cb -0.39 -3.54 0.02 0.00 0.51 0.00 0.00 43.02 39.62 2aw3 s PHE 528 CO 0.35 -0.87 0.13 0.34 0.70 0.00 0.00 175.22 175.87 2aw3 s ASP 529 N 2.01 5.41 -0.12 1.36 -1.08 0.54 -1.65 116.67 123.14 2aw3 s ASP 529 Ca 0.30 -0.84 0.01 0.00 -0.52 0.00 0.00 52.55 51.51 2aw3 s ASP 529 Cb -0.13 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.41 2aw3 s ASP 529 CO 0.20 -0.27 -0.16 -0.63 0.52 0.00 0.00 175.17 174.83 2aw3 s ILE 530 N 1.52 1.59 -0.29 4.11 1.01 -0.42 -0.30 121.20 128.41 2aw3 s ILE 530 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2aw3 s ILE 530 Cb -0.18 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 40.90 2aw3 s ILE 530 CO 0.04 0.46 -0.03 -1.58 0.00 0.00 0.00 174.94 173.83 2aw3 s GLN 531 N 1.11 2.08 -0.17 2.79 0.74 -0.28 -1.77 119.66 124.17 2aw3 s GLN 531 Ca -0.03 -1.49 -0.01 0.00 0.05 0.00 0.00 55.36 53.88 2aw3 s GLN 531 Cb -0.14 -3.06 0.04 0.00 1.10 0.00 0.00 33.01 30.95 2aw3 s GLN 531 CO -0.04 -0.70 -0.04 0.96 -0.55 0.00 0.00 175.29 174.92 2aw3 s ILE 532 N 1.08 1.05 0.00 -2.34 -4.36 -1.26 -2.39 121.20 112.97 2aw3 s ILE 532 Ca -0.03 -0.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 2aw3 s ILE 532 Cb -0.20 -1.27 0.00 0.00 1.25 0.00 0.00 42.46 42.24 2aw3 s ILE 532 CO -0.05 0.07 0.00 2.29 0.24 0.00 0.00 174.94 177.49 2aw3 n LYS 533 N 4.89 -0.76 -1.85 0.37 2.85 -0.84 -4.93 118.16 117.89 2aw3 n LYS 533 Ca -0.11 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.77 2aw3 n LYS 533 Cb 0.47 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.89 2aw3 n LYS 533 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2aw3 s ARG 534 N -2.00 3.15 -0.49 -1.58 0.52 -1.26 -3.77 118.95 113.52 2aw3 s ARG 534 Ca 0.00 2.14 -0.28 0.00 -0.52 0.00 0.00 55.73 57.07 2aw3 s ARG 534 Cb 0.00 -2.22 -0.00 0.00 0.52 0.00 0.00 34.95 33.24 2aw3 s ARG 534 CO 0.00 -1.15 1.63 -1.17 0.02 0.00 0.00 175.30 174.63 2aw3 s LEU 535 N -3.57 3.43 0.00 2.53 1.98 -0.68 -4.86 118.68 117.51 2aw3 s LEU 535 Ca 0.72 0.66 0.03 0.00 -2.89 0.00 0.00 54.13 52.64 2aw3 s LEU 535 Cb -0.38 -3.12 -0.01 0.00 0.66 0.00 0.00 46.19 43.34 2aw3 s LEU 535 CO 0.45 -1.83 -0.09 -2.28 -1.89 0.00 0.00 176.35 170.71 2aw3 s HIS 536 N 6.94 0.77 0.29 5.38 2.46 -1.26 -4.66 115.29 125.21 2aw3 s HIS 536 Ca 0.65 -0.20 0.02 0.00 0.47 0.00 0.00 55.06 56.00 2aw3 s HIS 536 Cb -0.15 -0.49 0.74 0.00 -0.13 0.00 0.00 32.58 32.55 2aw3 s HIS 536 CO 0.27 -0.01 1.62 1.49 -2.47 0.00 0.00 174.74 175.64 2aw3 h GLU 537 N 5.68 0.14 0.00 2.88 4.81 -1.97 -1.16 114.58 124.96 2aw3 h GLU 537 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2aw3 h GLU 537 Cb 1.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2aw3 h GLU 537 CO 0.48 0.09 0.00 0.10 -0.73 0.00 0.00 179.01 178.95 2aw3 h TYR 538 N 0.14 0.00 0.00 0.92 -0.00 -1.97 -1.92 116.97 114.14 2aw3 h TYR 538 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.30 2aw3 h TYR 538 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2aw3 h TYR 538 CO -0.31 0.00 -0.13 0.87 -0.00 0.00 0.00 178.16 178.59 2aw3 h LYS 539 N 0.00 0.00 -5.82 0.10 1.57 -1.56 -2.87 116.57 107.99 2aw3 h LYS 539 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2aw3 h LYS 539 Cb 0.40 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.84 2aw3 h LYS 539 CO 0.00 0.00 -0.78 0.54 -0.57 0.00 0.00 179.45 178.64 2aw3 n ARG 540 N -2.28 -6.15 0.18 3.15 1.74 -0.72 -4.02 116.66 108.56 2aw3 n ARG 540 Ca 0.05 0.77 0.13 0.00 -0.77 0.00 0.00 57.85 58.03 2aw3 n ARG 540 Cb 0.44 -5.64 0.70 0.00 -1.02 0.00 0.00 32.46 26.94 2aw3 n ARG 540 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2aw3 h GLN 541 N -1.95 0.00 0.00 5.56 7.50 -1.85 -2.28 115.11 122.09 2aw3 h GLN 541 Ca -0.60 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.49 2aw3 h GLN 541 Cb 1.35 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.87 2aw3 h GLN 541 CO 0.53 0.00 -0.30 1.12 -1.50 0.00 0.00 178.83 178.67 2aw3 h HIS 542 N 0.00 0.00 0.02 2.96 2.07 -1.92 -1.23 115.15 117.05 2aw3 h HIS 542 Ca 0.09 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2aw3 h HIS 542 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 2aw3 h HIS 542 CO 0.00 0.30 -0.01 1.25 -3.07 0.00 0.00 177.93 176.40 2aw3 h LEU 543 N 0.00 -0.02 -0.35 6.12 5.85 -1.79 -2.40 115.31 122.71 2aw3 h LEU 543 Ca -0.00 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.59 2aw3 h LEU 543 Cb 0.72 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 2aw3 h LEU 543 CO 0.04 0.19 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.96 2aw3 h ASN 544 N -0.23 -0.78 -0.76 1.25 -0.00 -1.41 -2.01 115.58 111.64 2aw3 h ASN 544 Ca -0.00 0.16 0.09 0.00 -0.00 0.00 0.00 56.30 56.54 2aw3 h ASN 544 Cb 0.22 0.39 -0.07 0.00 -0.00 0.00 0.00 38.32 38.86 2aw3 h ASN 544 CO 0.00 -0.26 0.42 0.25 -0.00 0.00 0.00 177.43 177.84 2aw3 h LEU 545 N -0.19 0.59 -0.93 0.34 5.85 -1.15 -1.26 115.31 118.55 2aw3 h LEU 545 Ca 0.17 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2aw3 h LEU 545 Cb 0.46 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2aw3 h LEU 545 CO -0.46 0.35 0.54 -0.07 -0.34 0.00 0.00 178.44 178.46 2aw3 h LEU 546 N 0.72 1.14 -0.53 2.25 3.38 -0.93 0.27 115.31 121.61 2aw3 h LEU 546 Ca 0.36 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 2aw3 h LEU 546 Cb 0.32 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2aw3 h LEU 546 CO -0.24 0.89 0.07 -0.74 0.09 0.00 0.00 178.44 178.52 2aw3 h HIS 547 N 1.30 0.94 -0.88 1.13 2.76 -0.74 -1.76 115.15 117.89 2aw3 h HIS 547 Ca 0.33 -0.14 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2aw3 h HIS 547 Cb -0.02 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 2aw3 h HIS 547 CO 0.01 0.85 0.58 0.82 -1.30 0.00 0.00 177.93 178.89 2aw3 h ILE 548 N 0.76 1.16 -0.09 6.26 2.04 -0.02 -1.19 117.51 126.43 2aw3 h ILE 548 Ca 0.16 -0.38 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 2aw3 h ILE 548 Cb 0.42 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2aw3 h ILE 548 CO 0.01 0.20 -0.52 -0.07 0.00 0.00 0.00 178.15 177.78 2aw3 h LEU 549 N 1.12 0.28 -0.27 1.44 3.38 -0.61 -0.19 115.31 120.46 2aw3 h LEU 549 Ca 0.35 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2aw3 h LEU 549 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2aw3 h LEU 549 CO -0.10 0.76 0.07 0.00 0.09 0.00 0.00 178.44 179.26 2aw3 h ALA 550 N 1.25 0.36 -0.71 1.53 0.00 -0.45 -1.16 119.26 120.08 2aw3 h ALA 550 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2aw3 h ALA 550 Cb 0.99 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2aw3 h ALA 550 CO 0.08 0.01 0.38 -0.07 0.00 0.00 0.00 179.25 179.66 2aw3 h LEU 551 N 0.27 0.90 0.01 0.00 3.38 -0.94 -0.60 115.31 118.32 2aw3 h LEU 551 Ca 0.09 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2aw3 h LEU 551 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2aw3 h LEU 551 CO 0.00 0.74 -0.18 0.22 0.09 0.00 0.00 178.44 179.32 2aw3 h TYR 552 N 0.98 -0.46 -0.70 1.13 3.20 -0.94 -0.93 116.97 119.26 2aw3 h TYR 552 Ca 0.25 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2aw3 h TYR 552 Cb 0.05 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2aw3 h TYR 552 CO -0.00 -0.25 0.42 -0.22 -1.64 0.00 0.00 178.16 176.46 2aw3 h LYS 553 N -0.29 0.77 -0.38 1.82 3.64 -1.01 -1.80 116.57 119.33 2aw3 h LYS 553 Ca 0.05 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2aw3 h LYS 553 Cb 0.36 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 2aw3 h LYS 553 CO -0.16 0.51 0.09 1.49 -2.27 0.00 0.00 179.45 179.11 2aw3 h GLU 554 N 0.79 0.21 0.00 1.90 4.81 -0.76 -1.43 114.58 120.10 2aw3 h GLU 554 Ca 0.30 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2aw3 h GLU 554 Cb 0.11 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2aw3 h GLU 554 CO -0.15 0.14 -0.13 -0.84 -0.73 0.00 0.00 179.01 177.31 2aw3 h ILE 555 N 0.22 0.22 -0.13 2.32 3.07 -0.72 -2.32 117.51 120.17 2aw3 h ILE 555 Ca 0.18 -1.24 -0.20 0.00 1.55 0.00 0.00 64.86 65.15 2aw3 h ILE 555 Cb 0.20 2.04 0.01 0.00 -0.27 0.00 0.00 36.82 38.80 2aw3 h ILE 555 CO -0.22 0.12 -0.70 -0.09 -1.05 0.00 0.00 178.15 176.21 2aw3 h ARG 556 N 0.00 0.71 -0.00 0.16 2.43 -1.12 -3.31 114.38 113.25 2aw3 h ARG 556 Ca -0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2aw3 h ARG 556 Cb 1.03 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2aw3 h ARG 556 CO 0.02 1.20 -0.54 0.39 -1.51 0.00 0.00 179.97 179.52 2aw3 n GLU 557 N -4.03 0.11 -3.49 0.20 1.02 -0.56 -4.57 120.64 109.32 2aw3 n GLU 557 Ca -0.08 -0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.74 2aw3 n GLU 557 Cb 0.71 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.50 2aw3 n GLU 557 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2aw3 s ASN 558 N -2.94 2.92 0.56 1.62 2.47 -0.88 -5.00 114.94 113.70 2aw3 s ASN 558 Ca 0.12 -1.19 0.28 0.00 0.42 0.00 0.00 52.86 52.49 2aw3 s ASN 558 Cb 0.17 -0.08 1.47 0.00 -1.45 0.00 0.00 41.25 41.36 2aw3 s ASN 558 CO 0.70 -0.41 1.95 1.55 -3.72 0.00 0.00 177.10 177.17 2aw3 h PRO 559 N 8.27 0.00 -0.16 0.43 0.13 -1.81 -2.49 132.00 136.37 2aw3 h PRO 559 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2aw3 h PRO 559 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2aw3 h PRO 559 CO 0.40 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.21 2aw3 n GLN 560 N -4.04 1.69 -1.69 0.86 3.00 -1.26 -4.97 117.38 110.96 2aw3 n GLN 560 Ca 0.10 -1.03 -0.44 0.00 -0.01 0.00 0.00 57.00 55.62 2aw3 n GLN 560 Cb 0.66 -1.39 -0.02 0.00 0.00 0.00 0.00 30.24 29.49 2aw3 n GLN 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2aw3 n ALA 561 N 0.26 1.54 -3.33 -1.58 0.00 -0.94 -4.83 120.51 111.64 2aw3 n ALA 561 Ca 0.16 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.57 2aw3 n ALA 561 Cb 0.31 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.42 2aw3 n ALA 561 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2aw3 n ASP 562 N 2.06 5.43 -4.36 0.00 4.64 -1.26 -4.96 116.55 118.11 2aw3 n ASP 562 Ca 0.10 -3.14 -0.30 0.00 -1.38 0.00 0.00 54.79 50.06 2aw3 n ASP 562 Cb 0.33 -1.28 -0.15 0.00 -1.04 0.00 0.00 41.12 38.99 2aw3 n ASP 562 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 2aw3 s ARG 563 N -1.66 1.91 0.31 -0.67 1.81 -1.26 -5.10 118.95 114.30 2aw3 s ARG 563 Ca 0.31 -1.05 -0.28 0.00 -1.72 0.00 0.00 55.73 52.99 2aw3 s ARG 563 Cb -0.06 -2.03 -0.09 0.00 -0.45 0.00 0.00 34.95 32.32 2aw3 s ARG 563 CO -0.05 0.53 1.12 0.14 -0.68 0.00 0.00 175.30 176.36 2aw3 s VAL 564 N -0.78 3.42 0.54 3.52 -7.23 -1.26 -4.99 120.40 113.62 2aw3 s VAL 564 Ca 0.12 1.36 -0.21 0.00 -1.81 0.00 0.00 61.98 61.44 2aw3 s VAL 564 Cb -0.10 -3.84 -0.07 0.00 0.56 0.00 0.00 36.38 32.94 2aw3 s VAL 564 CO 0.02 0.27 1.03 -2.65 -0.31 0.00 0.00 175.10 173.45 2aw3 n PRO 565 N 0.87 1.16 -3.97 4.82 -0.02 -1.26 -4.89 135.00 131.71 2aw3 n PRO 565 Ca 0.00 0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2aw3 n PRO 565 Cb 0.45 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 2aw3 n PRO 565 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aw3 s ARG 566 N -2.52 0.28 -0.21 -0.52 0.52 -0.98 -1.29 118.95 114.23 2aw3 s ARG 566 Ca 0.71 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 2aw3 s ARG 566 Cb -0.46 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.12 2aw3 s ARG 566 CO 0.51 -0.05 -0.12 0.08 0.02 0.00 0.00 175.30 175.74 2aw3 s VAL 567 N -1.31 2.67 -0.32 3.52 1.01 0.06 -2.08 120.40 123.95 2aw3 s VAL 567 Ca -0.14 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 2aw3 s VAL 567 Cb -0.09 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2aw3 s VAL 567 CO -0.01 0.44 0.59 -0.36 0.00 0.00 0.00 175.10 175.76 2aw3 s PHE 568 N 1.36 3.20 -0.14 5.22 0.40 0.30 -0.34 117.98 127.98 2aw3 s PHE 568 Ca 0.04 0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.80 2aw3 s PHE 568 Cb -0.14 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.40 2aw3 s PHE 568 CO -0.08 -0.49 -0.04 -0.51 0.70 0.00 0.00 175.22 174.80 2aw3 s LEU 569 N 2.54 3.25 -0.01 -0.37 1.02 0.59 -0.99 118.68 124.72 2aw3 s LEU 569 Ca 0.23 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.36 2aw3 s LEU 569 Cb -0.15 -1.77 -0.02 0.00 0.02 0.00 0.00 46.19 44.27 2aw3 s LEU 569 CO 0.12 0.21 -0.26 -0.36 0.02 0.00 0.00 176.35 176.09 2aw3 s PHE 570 N 0.10 2.29 -0.03 0.29 0.40 -0.44 -1.12 117.98 119.47 2aw3 s PHE 570 Ca -0.01 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 2aw3 s PHE 570 Cb -0.14 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 41.95 2aw3 s PHE 570 CO 0.03 -0.02 -0.06 0.20 0.70 0.00 0.00 175.22 176.07 2aw3 s GLY 571 N -0.69 0.42 -0.30 4.36 0.00 -1.01 -1.39 107.32 108.71 2aw3 s GLY 571 Ca 0.10 -0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.42 2aw3 s GLY 571 CO -0.01 0.11 1.32 0.00 0.00 0.00 0.00 173.10 174.53 2aw3 s ALA 572 N 0.42 -2.28 -0.01 3.20 0.00 -1.25 -1.99 121.76 119.85 2aw3 s ALA 572 Ca -0.06 1.80 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2aw3 s ALA 572 Cb -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2aw3 s ALA 572 CO 0.00 -0.17 -0.10 0.15 0.00 0.00 0.00 175.76 175.64 2aw3 s LYS 573 N 0.33 2.51 -0.18 0.00 1.02 -1.26 -4.75 119.74 117.41 2aw3 s LYS 573 Ca 0.03 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.23 2aw3 s LYS 573 Cb -0.04 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2aw3 s LYS 573 CO -0.13 0.61 0.04 0.00 -0.92 0.00 0.00 175.35 174.94 2aw3 s ALA 574 N -0.91 3.30 0.34 5.17 0.00 -1.26 -1.69 121.76 126.70 2aw3 s ALA 574 Ca 0.15 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 2aw3 s ALA 574 Cb -0.11 -1.83 -0.13 0.00 0.00 0.00 0.00 23.12 21.05 2aw3 s ALA 574 CO 0.05 0.17 0.81 0.00 0.00 0.00 0.00 175.76 176.79 2aw3 n ALA 575 N 3.57 -0.87 0.28 0.00 0.00 -1.26 -4.85 120.51 117.38 2aw3 n ALA 575 Ca -0.17 0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.72 2aw3 n ALA 575 Cb 0.52 -1.90 0.83 0.00 0.00 0.00 0.00 19.45 18.90 2aw3 n ALA 575 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2aw3 h PRO 576 N 1.44 0.00 -0.01 0.00 0.13 -1.97 -1.94 132.00 129.66 2aw3 h PRO 576 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2aw3 h PRO 576 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2aw3 h PRO 576 CO 0.57 0.07 -0.12 0.41 -0.23 0.00 0.00 178.00 178.69 2aw3 n GLY 577 N -0.89 -0.41 3.35 1.56 0.00 -1.26 -4.77 105.19 102.78 2aw3 n GLY 577 Ca -0.02 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 2aw3 n GLY 577 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2aw3 n TYR 578 N -0.35 5.15 -0.35 1.61 4.19 -0.73 -4.88 117.16 121.80 2aw3 n TYR 578 Ca 0.16 -3.78 0.00 0.00 3.31 0.00 0.00 57.90 57.59 2aw3 n TYR 578 Cb 0.33 -1.79 0.16 0.00 0.49 0.00 0.00 39.34 38.53 2aw3 n TYR 578 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2aw3 h TYR 579 N 6.70 1.20 -0.34 2.98 0.05 -1.86 -2.27 116.97 123.42 2aw3 h TYR 579 Ca 0.21 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 2aw3 h TYR 579 Cb 0.86 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 2aw3 h TYR 579 CO 0.83 0.70 0.07 1.25 -1.05 0.00 0.00 178.16 179.96 2aw3 h LEU 580 N 1.24 0.53 -1.22 3.88 5.85 -1.96 -1.50 115.31 122.13 2aw3 h LEU 580 Ca 0.38 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2aw3 h LEU 580 Cb -0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2aw3 h LEU 580 CO -0.11 0.63 0.55 0.00 -0.34 0.00 0.00 178.44 179.17 2aw3 h ALA 581 N 0.91 1.55 0.00 1.25 0.00 -1.85 -1.58 119.26 119.54 2aw3 h ALA 581 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2aw3 h ALA 581 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2aw3 h ALA 581 CO 0.00 0.34 -0.33 0.87 0.00 0.00 0.00 179.25 180.13 2aw3 h LYS 582 N 0.97 0.00 -0.03 0.00 1.57 -0.83 -2.49 116.57 115.77 2aw3 h LYS 582 Ca 0.35 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.89 2aw3 h LYS 582 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.47 2aw3 h LYS 582 CO -0.12 0.33 -0.95 -0.97 -0.57 0.00 0.00 179.45 177.17 2aw3 h ASN 583 N 0.00 0.76 -0.76 0.86 -0.00 -0.61 -2.79 115.58 113.04 2aw3 h ASN 583 Ca -0.00 -0.59 0.01 0.00 -0.00 0.00 0.00 56.30 55.72 2aw3 h ASN 583 Cb 0.66 -0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.71 2aw3 h ASN 583 CO 0.04 1.38 0.50 0.40 -0.00 0.00 0.00 177.43 179.76 2aw3 h ILE 584 N 0.35 1.19 -0.02 2.57 2.04 -1.06 -1.54 117.51 121.03 2aw3 h ILE 584 Ca -0.10 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.44 2aw3 h ILE 584 Cb 1.59 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2aw3 h ILE 584 CO 0.18 0.19 -0.15 0.40 0.00 0.00 0.00 178.15 178.77 2aw3 h ILE 585 N 1.02 0.64 -0.57 -0.67 2.04 -1.44 -1.98 117.51 116.56 2aw3 h ILE 585 Ca 0.28 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.26 2aw3 h ILE 585 Cb -0.10 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 2aw3 h ILE 585 CO -0.07 0.00 -0.04 0.15 0.00 0.00 0.00 178.15 178.19 2aw3 h PHE 586 N -0.23 -0.12 -0.45 1.37 3.57 -1.29 -2.29 116.94 117.50 2aw3 h PHE 586 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2aw3 h PHE 586 Cb 0.31 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2aw3 h PHE 586 CO -0.21 -0.18 0.29 0.00 -2.23 0.00 0.00 178.31 175.98 2aw3 h ALA 587 N 1.53 0.58 -0.53 2.41 0.00 -0.87 -1.37 119.26 121.01 2aw3 h ALA 587 Ca 0.29 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2aw3 h ALA 587 Cb 0.45 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2aw3 h ALA 587 CO -0.52 0.04 0.25 0.82 0.00 0.00 0.00 179.25 179.85 2aw3 h ILE 588 N 0.61 0.92 -0.14 0.00 2.04 -0.96 -1.73 117.51 118.25 2aw3 h ILE 588 Ca 0.16 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 2aw3 h ILE 588 Cb -0.05 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2aw3 h ILE 588 CO -0.03 0.09 -0.69 0.78 0.00 0.00 0.00 178.15 178.30 2aw3 h ASN 589 N 0.49 0.69 -0.37 1.72 2.35 -0.90 0.19 115.58 119.75 2aw3 h ASN 589 Ca 0.24 -0.42 -0.16 0.00 -0.55 0.00 0.00 56.30 55.41 2aw3 h ASN 589 Cb 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2aw3 h ASN 589 CO -0.19 1.18 -0.38 0.11 -1.65 0.00 0.00 177.43 176.50 2aw3 h LYS 590 N 0.42 0.91 -0.40 0.81 1.79 -1.08 -1.30 116.57 117.72 2aw3 h LYS 590 Ca -0.02 -0.49 -0.06 0.00 -2.18 0.00 0.00 60.65 57.90 2aw3 h LYS 590 Cb 1.27 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2aw3 h LYS 590 CO 0.13 1.14 0.00 0.28 -1.08 0.00 0.00 179.45 179.92 2aw3 h VAL 591 N 0.72 1.26 -0.47 0.50 2.07 -1.26 -3.05 116.25 116.01 2aw3 h VAL 591 Ca 0.06 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.64 2aw3 h VAL 591 Cb 0.98 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 2aw3 h VAL 591 CO 0.09 0.34 0.15 0.00 0.02 0.00 0.00 177.57 178.18 2aw3 h ALA 592 N 0.89 0.57 -0.54 1.67 0.00 -0.40 -1.70 119.26 119.74 2aw3 h ALA 592 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aw3 h ALA 592 Cb 0.47 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2aw3 h ALA 592 CO 0.02 -0.24 0.36 -0.44 0.00 0.00 0.00 179.25 178.95 2aw3 h ASP 593 N 0.32 0.61 0.00 0.00 3.32 -1.18 -0.10 116.42 119.39 2aw3 h ASP 593 Ca 0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2aw3 h ASP 593 Cb 0.25 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2aw3 h ASP 593 CO -0.25 0.44 -0.07 0.58 -1.72 0.00 0.00 179.24 178.23 2aw3 h VAL 594 N 0.72 1.63 -0.51 -1.35 2.07 -1.32 -3.19 116.25 114.29 2aw3 h VAL 594 Ca 0.20 -1.93 0.07 0.00 0.82 0.00 0.00 66.70 65.86 2aw3 h VAL 594 Cb -0.06 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 2aw3 h VAL 594 CO -0.05 0.51 0.18 0.40 0.02 0.00 0.00 177.57 178.63 2aw3 h ILE 595 N -0.74 0.81 0.00 4.57 2.04 -1.11 -2.43 117.51 120.64 2aw3 h ILE 595 Ca -0.01 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2aw3 h ILE 595 Cb 0.87 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2aw3 h ILE 595 CO 0.01 0.06 -0.01 0.78 0.00 0.00 0.00 178.15 179.00 2aw3 h ASN 596 N 0.35 0.00 -0.32 1.72 2.35 -1.12 -3.10 115.58 115.47 2aw3 h ASN 596 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2aw3 h ASN 596 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2aw3 h ASN 596 CO -0.26 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.12 2aw3 n ASN 597 N -3.11 3.40 -4.49 5.81 3.02 -0.94 -4.96 115.26 113.98 2aw3 n ASN 597 Ca 0.00 -2.43 -0.43 0.00 -0.03 0.00 0.00 54.58 51.69 2aw3 n ASN 597 Cb 0.29 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.01 2aw3 n ASN 597 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2aw3 s ASP 598 N -1.37 6.27 0.60 6.41 -1.08 -1.04 -4.94 116.67 121.52 2aw3 s ASP 598 Ca 0.32 -0.54 0.31 0.00 -0.52 0.00 0.00 52.55 52.12 2aw3 s ASP 598 Cb 0.22 -2.29 1.86 0.00 -1.46 0.00 0.00 42.92 41.25 2aw3 s ASP 598 CO 0.13 -0.74 2.22 1.55 0.52 0.00 0.00 175.17 178.85 2aw3 h PRO 599 N 8.86 0.00 0.00 4.34 0.13 -1.93 -0.66 132.00 142.74 2aw3 h PRO 599 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2aw3 h PRO 599 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2aw3 h PRO 599 CO 0.88 0.00 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.52 2aw3 h LEU 600 N 0.00 0.00 0.00 1.56 -0.00 -1.97 -3.29 115.31 111.61 2aw3 h LEU 600 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.71 2aw3 h LEU 600 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.77 2aw3 h LEU 600 CO -0.00 0.05 -1.23 0.52 -0.00 0.00 0.00 178.44 177.78 2aw3 n VAL 601 N -3.81 1.50 0.00 1.22 0.31 -0.28 -4.95 118.33 112.33 2aw3 n VAL 601 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2aw3 n VAL 601 Cb 0.15 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 2aw3 n VAL 601 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2aw3 n GLY 602 N 1.46 3.11 0.22 2.92 0.00 -1.07 -2.15 105.19 109.68 2aw3 n GLY 602 Ca -0.28 0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.87 2aw3 n GLY 602 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aw3 n ASP 603 N 3.62 0.67 0.21 1.61 8.00 -1.26 -3.60 116.55 125.80 2aw3 n ASP 603 Ca 0.00 -1.62 0.09 0.00 0.71 0.00 0.00 54.79 53.97 2aw3 n ASP 603 Cb 0.00 -0.05 0.43 0.00 -0.02 0.00 0.00 41.12 41.48 2aw3 n ASP 603 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2aw3 h LYS 604 N 0.86 0.00 -2.06 -1.24 1.57 -1.77 -3.41 116.57 110.52 2aw3 h LYS 604 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2aw3 h LYS 604 Cb 0.19 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.29 2aw3 h LYS 604 CO 0.00 0.26 -0.06 -1.17 -0.57 0.00 0.00 179.45 177.92 2aw3 s LEU 605 N -6.89 -0.94 0.04 2.94 0.20 -1.24 -2.31 118.68 110.49 2aw3 s LEU 605 Ca 0.00 1.48 0.02 0.00 0.69 0.00 0.00 54.13 56.32 2aw3 s LEU 605 Cb 0.10 2.26 -0.02 0.00 -0.43 0.00 0.00 46.19 48.10 2aw3 s LEU 605 CO 0.65 -0.23 -0.07 -0.54 -0.29 0.00 0.00 176.35 175.87 2aw3 s LYS 606 N 2.01 0.50 -0.11 1.98 -0.14 -0.88 -4.68 119.74 118.41 2aw3 s LYS 606 Ca -0.09 -0.75 -0.01 0.00 -1.36 0.00 0.00 55.97 53.77 2aw3 s LYS 606 Cb -0.07 -0.24 0.03 0.00 -1.68 0.00 0.00 37.83 35.87 2aw3 s LYS 606 CO -0.19 0.04 -0.05 0.08 -0.76 0.00 0.00 175.35 174.47 2aw3 s VAL 607 N -1.42 0.85 -0.21 3.17 1.01 -1.26 -0.54 120.40 122.00 2aw3 s VAL 607 Ca -0.11 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2aw3 s VAL 607 Cb -0.10 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2aw3 s VAL 607 CO 0.00 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 2aw3 s VAL 608 N 1.77 1.70 -0.66 2.92 1.01 -0.16 -4.82 120.40 122.16 2aw3 s VAL 608 Ca 0.04 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 2aw3 s VAL 608 Cb -0.13 -1.79 0.11 0.00 0.00 0.00 0.00 36.38 34.57 2aw3 s VAL 608 CO -0.07 0.13 0.80 0.12 0.00 0.00 0.00 175.10 176.07 2aw3 s PHE 609 N 1.36 3.02 -0.12 5.22 2.19 -1.26 -1.32 117.98 127.07 2aw3 s PHE 609 Ca -0.02 -1.03 -0.29 0.00 0.33 0.00 0.00 56.93 55.91 2aw3 s PHE 609 Cb -0.17 -4.08 -0.04 0.00 -1.31 0.00 0.00 43.02 37.43 2aw3 s PHE 609 CO -0.08 -1.35 1.50 -0.51 1.83 0.00 0.00 175.22 176.61 2aw3 s LEU 610 N 2.70 4.21 0.48 6.12 1.43 -0.49 -4.98 118.68 128.16 2aw3 s LEU 610 Ca 0.16 1.95 -0.21 0.00 -1.03 0.00 0.00 54.13 55.00 2aw3 s LEU 610 Cb -0.20 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 2aw3 s LEU 610 CO 0.04 -0.91 1.05 -2.16 0.23 0.00 0.00 176.35 174.60 2aw3 s PRO 611 N 3.92 3.80 -0.73 1.29 0.04 -1.26 -4.23 135.00 137.82 2aw3 s PRO 611 Ca 0.66 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2aw3 s PRO 611 Cb -0.28 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2aw3 s PRO 611 CO 0.24 -0.44 0.62 -3.47 0.04 0.00 0.00 177.00 173.99 2aw3 n ASP 612 N -0.90 -2.79 -4.60 6.66 2.03 -1.26 -4.97 116.55 110.72 2aw3 n ASP 612 Ca 0.09 -0.35 -0.48 0.00 0.52 0.00 0.00 54.79 54.57 2aw3 n ASP 612 Cb 0.52 -3.21 -0.04 0.00 -0.72 0.00 0.00 41.12 37.67 2aw3 n ASP 612 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aw3 n TYR 613 N -3.18 1.51 -3.78 -0.67 9.36 -1.26 -4.89 117.16 114.25 2aw3 n TYR 613 Ca -0.12 0.62 -0.04 0.00 3.32 0.00 0.00 57.90 61.68 2aw3 n TYR 613 Cb 0.58 -2.32 -0.01 0.00 -0.63 0.00 0.00 39.34 36.96 2aw3 n TYR 613 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2aw3 h VAL 615 N 2.00 0.93 -0.92 0.00 2.07 -1.93 0.23 116.25 118.63 2aw3 h VAL 615 Ca -0.25 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2aw3 h VAL 615 Cb 1.23 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2aw3 h VAL 615 CO 0.28 0.13 0.61 0.28 0.02 0.00 0.00 177.57 178.89 2aw3 h SER 616 N 0.69 1.05 -0.30 0.57 0.02 -1.97 0.66 113.55 114.29 2aw3 h SER 616 Ca 0.33 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 2aw3 h SER 616 Cb 0.26 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2aw3 h SER 616 CO -0.22 0.76 0.03 0.00 -1.14 0.00 0.00 176.83 176.26 2aw3 h ALA 617 N 1.34 0.40 -0.88 3.77 0.00 -1.72 -2.89 119.26 119.28 2aw3 h ALA 617 Ca 0.34 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.16 2aw3 h ALA 617 Cb -0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.46 2aw3 h ALA 617 CO -0.08 0.11 0.50 0.00 0.00 0.00 0.00 179.25 179.78 2aw3 h ALA 618 N 0.86 1.31 0.00 0.00 0.00 -0.06 -0.00 119.26 121.37 2aw3 h ALA 618 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2aw3 h ALA 618 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2aw3 h ALA 618 CO 0.01 0.06 -0.11 0.93 0.00 0.00 0.00 179.25 180.14 2aw3 h GLU 619 N 0.78 0.00 0.18 0.00 5.08 -0.69 -1.48 114.58 118.45 2aw3 h GLU 619 Ca 0.45 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.46 2aw3 h GLU 619 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2aw3 h GLU 619 CO -0.29 0.11 -1.78 0.87 -1.00 0.00 0.00 179.01 176.92 2aw3 h LYS 620 N 0.00 0.38 -0.11 2.33 1.79 -1.09 -3.40 116.57 116.47 2aw3 h LYS 620 Ca -0.00 -0.65 -0.06 0.00 -2.18 0.00 0.00 60.65 57.76 2aw3 h LYS 620 Cb 0.27 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2aw3 h LYS 620 CO 0.01 1.31 -0.17 -0.07 -1.08 0.00 0.00 179.45 179.45 2aw3 h LEU 621 N 0.09 0.35 -0.03 2.94 3.38 -0.94 -3.38 115.31 117.72 2aw3 h LEU 621 Ca -0.35 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.09 2aw3 h LEU 621 Cb 2.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2aw3 h LEU 621 CO 0.17 0.81 -0.04 0.40 0.09 0.00 0.00 178.44 179.87 2aw3 h ILE 622 N -0.11 0.89 0.00 1.22 2.04 -1.48 -1.95 117.51 118.12 2aw3 h ILE 622 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2aw3 h ILE 622 Cb 0.74 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2aw3 h ILE 622 CO 0.04 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.54 2aw3 h PRO 623 N -0.06 0.00 -0.02 2.37 0.11 -1.78 -2.62 132.00 130.01 2aw3 h PRO 623 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2aw3 h PRO 623 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2aw3 h PRO 623 CO -0.06 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.40 2aw3 n ALA 624 N -1.80 3.20 -1.89 -0.75 0.00 -0.74 -4.75 120.51 113.78 2aw3 n ALA 624 Ca -0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.39 2aw3 n ALA 624 Cb 0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 2aw3 n ALA 624 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw3 s ALA 625 N -2.17 3.52 -0.24 0.00 0.00 -0.99 -4.72 121.76 117.15 2aw3 s ALA 625 Ca 0.19 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2aw3 s ALA 625 Cb 0.17 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 2aw3 s ALA 625 CO 0.46 -0.56 -0.11 -0.25 0.00 0.00 0.00 175.76 175.29 2aw3 n ASP 626 N 1.87 1.97 -4.32 0.00 8.00 -0.66 -3.97 116.55 119.43 2aw3 n ASP 626 Ca 0.04 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.43 2aw3 n ASP 626 Cb 0.42 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.62 2aw3 n ASP 626 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2aw3 s ILE 627 N -2.49 2.94 -0.35 0.53 -1.09 -0.79 -1.40 121.20 118.55 2aw3 s ILE 627 Ca -0.34 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.27 2aw3 s ILE 627 Cb 0.10 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.73 2aw3 s ILE 627 CO 0.58 0.51 0.23 -0.55 -1.23 0.00 0.00 174.94 174.47 2aw3 s SER 628 N 0.65 5.95 -0.35 3.58 0.15 -0.09 -1.30 113.70 122.29 2aw3 s SER 628 Ca -0.07 -0.54 -0.21 0.00 0.70 0.00 0.00 55.95 55.83 2aw3 s SER 628 Cb -0.15 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2aw3 s SER 628 CO 0.02 -0.26 0.67 -1.61 1.20 0.00 0.00 173.24 173.26 2aw3 s GLU 629 N 1.69 3.75 -0.46 5.44 0.41 -0.73 -1.59 118.70 127.21 2aw3 s GLU 629 Ca 0.05 0.18 0.07 0.00 -0.41 0.00 0.00 54.97 54.86 2aw3 s GLU 629 Cb -0.18 -3.79 0.25 0.00 -1.78 0.00 0.00 34.13 28.63 2aw3 s GLU 629 CO 0.09 -0.73 0.58 1.04 -0.49 0.00 0.00 175.26 175.75 2aw3 n GLN 630 N 6.10 1.19 -0.64 1.61 1.13 -0.51 -4.73 117.38 121.53 2aw3 n GLN 630 Ca -0.00 -3.61 0.01 0.00 -1.94 0.00 0.00 57.00 51.46 2aw3 n GLN 630 Cb 0.48 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.54 2aw3 n GLN 630 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2aw3 n ILE 631 N 1.28 2.39 -1.01 5.09 -5.35 -1.26 -2.55 119.36 117.94 2aw3 n ILE 631 Ca 0.24 -2.67 -0.33 0.00 -0.27 0.00 0.00 62.75 59.72 2aw3 n ILE 631 Cb 0.50 -0.29 0.14 0.00 -1.74 0.00 0.00 39.64 38.25 2aw3 n ILE 631 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2aw3 s SER 632 N -2.61 3.41 0.18 7.28 1.04 -1.26 -4.69 113.70 117.05 2aw3 s SER 632 Ca 0.42 2.33 -0.31 0.00 0.48 0.00 0.00 55.95 58.87 2aw3 s SER 632 Cb 0.38 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.82 2aw3 s SER 632 CO 0.00 -2.78 1.43 -0.89 0.98 0.00 0.00 173.24 171.98 2aw3 s THR 633 N -2.26 2.96 0.23 2.02 2.01 -1.08 -4.66 115.64 114.85 2aw3 s THR 633 Ca 0.72 0.73 -0.31 0.00 0.31 0.00 0.00 61.69 63.14 2aw3 s THR 633 Cb -0.27 -3.47 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 2aw3 s THR 633 CO 0.52 0.08 1.57 0.00 -0.69 0.00 0.00 174.62 176.10 2aw3 s ALA 634 N 0.62 3.76 0.00 7.40 0.00 -1.26 -1.72 121.76 130.56 2aw3 s ALA 634 Ca 0.63 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2aw3 s ALA 634 Cb -0.40 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2aw3 s ALA 634 CO 0.35 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2aw3 n GLY 635 N 2.96 0.21 0.06 0.00 0.00 -1.26 -4.68 105.19 102.48 2aw3 n GLY 635 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2aw3 n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aw3 n LYS 636 N -2.00 1.84 -2.99 1.61 4.76 -0.70 -4.84 118.16 115.84 2aw3 n LYS 636 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2aw3 n LYS 636 Cb 0.00 -1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 31.81 2aw3 n LYS 636 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2aw3 s GLU 637 N -2.31 3.43 0.09 1.97 2.56 -1.26 -4.75 118.70 118.44 2aw3 s GLU 637 Ca -0.07 -0.10 -0.24 0.00 0.00 0.00 0.00 54.97 54.55 2aw3 s GLU 637 Cb 0.04 -3.93 -0.14 0.00 2.00 0.00 0.00 34.13 32.10 2aw3 s GLU 637 CO 0.51 -1.07 1.72 0.00 -0.56 0.00 0.00 175.26 175.86 2aw3 h ALA 638 N 8.91 -0.09 -0.67 6.30 0.00 -1.88 -2.93 119.26 128.90 2aw3 h ALA 638 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2aw3 h ALA 638 Cb 1.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2aw3 h ALA 638 CO 0.94 -0.55 0.00 0.45 0.00 0.00 0.00 179.25 180.09 2aw3 n SER 639 N -5.14 0.00 0.00 0.00 2.88 -1.26 -4.10 113.62 105.99 2aw3 n SER 639 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2aw3 n SER 639 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2aw3 n SER 639 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aw3 n GLY 640 N 1.83 0.45 0.00 0.46 0.00 -1.26 -1.29 105.19 105.37 2aw3 n GLY 640 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2aw3 n GLY 640 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aw3 n THR 641 N 0.95 0.00 -0.35 2.61 -2.24 -1.26 -4.74 114.28 109.26 2aw3 n THR 641 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2aw3 n THR 641 Cb 0.00 -0.37 0.35 0.00 -2.10 0.00 0.00 70.33 68.21 2aw3 n THR 641 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2aw3 h GLY 642 N 0.00 1.85 0.28 3.38 0.00 -1.96 -0.78 103.07 105.84 2aw3 h GLY 642 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 47.33 47.12 2aw3 h GLY 642 CO 0.00 -0.16 0.29 3.45 0.00 0.00 0.00 176.54 180.11 2aw3 h ASN 643 N 0.66 0.29 -0.51 0.19 7.08 -1.93 -0.05 115.58 121.31 2aw3 h ASN 643 Ca 0.61 0.09 -0.08 0.00 -3.08 0.00 0.00 56.30 53.84 2aw3 h ASN 643 Cb 1.07 0.06 -0.02 0.00 -2.08 0.00 0.00 38.32 37.36 2aw3 h ASN 643 CO -0.43 0.14 0.00 0.24 -2.08 0.00 0.00 177.43 175.30 2aw3 h MET 644 N 0.46 0.90 -0.64 4.14 2.86 -1.48 -1.85 114.93 119.32 2aw3 h MET 644 Ca 0.37 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2aw3 h MET 644 Cb 0.50 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2aw3 h MET 644 CO -0.35 0.93 0.36 0.87 1.06 0.00 0.00 176.91 179.77 2aw3 h LYS 645 N 0.76 0.88 -0.26 1.72 1.57 -0.76 -1.85 116.57 118.64 2aw3 h LYS 645 Ca 0.14 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 2aw3 h LYS 645 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2aw3 h LYS 645 CO 0.03 0.66 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.02 2aw3 h LEU 646 N 0.87 0.86 -0.01 2.94 3.38 -0.96 -2.98 115.31 119.41 2aw3 h LEU 646 Ca 0.22 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2aw3 h LEU 646 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2aw3 h LEU 646 CO -0.04 1.24 0.00 0.00 0.09 0.00 0.00 178.44 179.73 2aw3 h ALA 647 N 0.65 0.01 -0.17 1.53 0.00 -1.28 -2.09 119.26 117.92 2aw3 h ALA 647 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2aw3 h ALA 647 Cb 1.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2aw3 h ALA 647 CO 0.11 -0.40 0.12 -0.07 0.00 0.00 0.00 179.25 179.01 2aw3 h LEU 648 N -0.14 0.00 -2.22 0.00 3.38 -1.30 -2.27 115.31 112.76 2aw3 h LEU 648 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aw3 h LEU 648 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2aw3 h LEU 648 CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 2aw3 n ASN 649 N -4.41 3.26 0.00 -0.43 3.02 -1.05 -4.47 115.26 111.18 2aw3 n ASN 649 Ca 0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2aw3 n ASN 649 Cb 0.25 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2aw3 n ASN 649 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aw3 n GLY 650 N 1.48 0.93 3.84 7.41 0.00 -0.85 -4.87 105.19 113.13 2aw3 n GLY 650 Ca 0.20 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2aw3 n GLY 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw3 s ALA 651 N -2.00 3.60 0.08 4.61 0.00 -0.81 -4.82 121.76 122.42 2aw3 s ALA 651 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 2aw3 s ALA 651 Cb 0.00 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 2aw3 s ALA 651 CO 0.00 0.47 0.40 -0.51 0.00 0.00 0.00 175.76 176.12 2aw3 s LEU 652 N -1.83 4.36 -0.15 0.00 1.43 -0.49 -4.22 118.68 117.77 2aw3 s LEU 652 Ca 0.36 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 2aw3 s LEU 652 Cb -0.15 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 2aw3 s LEU 652 CO 0.19 0.18 0.22 -0.89 0.23 0.00 0.00 176.35 176.27 2aw3 s THR 653 N -1.38 5.36 -0.25 5.49 2.01 -1.26 -0.91 115.64 124.70 2aw3 s THR 653 Ca 0.33 0.38 -0.07 0.00 0.31 0.00 0.00 61.69 62.63 2aw3 s THR 653 Cb -0.14 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2aw3 s THR 653 CO 0.18 0.48 0.08 -0.69 -0.69 0.00 0.00 174.62 173.98 2aw3 s VAL 654 N -0.10 4.40 -0.22 3.82 1.01 -0.62 -0.80 120.40 127.88 2aw3 s VAL 654 Ca 0.14 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 2aw3 s VAL 654 Cb -0.12 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.30 2aw3 s VAL 654 CO 0.03 0.34 0.87 -0.83 0.00 0.00 0.00 175.10 175.51 2aw3 s GLY 655 N 1.52 -0.36 0.75 4.51 0.00 -0.74 -1.42 107.32 111.58 2aw3 s GLY 655 Ca 0.06 2.16 -0.12 0.00 0.00 0.00 0.00 44.72 46.82 2aw3 s GLY 655 CO 0.04 1.55 1.11 -0.51 0.00 0.00 0.00 173.10 175.29 2aw3 s THR 656 N -0.14 3.17 -1.29 0.90 -4.23 -1.06 -1.74 115.64 111.26 2aw3 s THR 656 Ca -0.01 0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 2aw3 s THR 656 Cb -0.04 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.65 2aw3 s THR 656 CO -0.00 -0.50 1.76 0.18 -0.54 0.00 0.00 174.62 175.53 2aw3 n LEU 657 N -3.21 5.88 -3.88 4.79 4.77 -1.26 -4.69 117.00 119.40 2aw3 n LEU 657 Ca 0.07 -4.36 -0.10 0.00 -0.03 0.00 0.00 56.01 51.59 2aw3 n LEU 657 Cb 0.57 -1.61 -0.09 0.00 -2.33 0.00 0.00 43.42 39.96 2aw3 n LEU 657 CO 0.57 0.88 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.73 2aw3 s ASP 658 N 2.56 0.08 0.76 -1.43 2.15 -1.26 -4.59 116.67 114.95 2aw3 s ASP 658 Ca 0.45 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2aw3 s ASP 658 Cb 0.05 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 2aw3 s ASP 658 CO 0.00 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 2aw3 n GLY 659 N 0.88 2.74 0.04 2.66 0.00 -1.11 -1.07 105.19 109.34 2aw3 n GLY 659 Ca -0.20 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 45.86 2aw3 n GLY 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw3 n ALA 660 N 8.52 2.61 -0.21 4.61 0.00 -0.41 -3.44 120.51 132.19 2aw3 n ALA 660 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.27 2aw3 n ALA 660 Cb 0.00 -1.43 0.28 0.00 0.00 0.00 0.00 19.45 18.30 2aw3 n ALA 660 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2aw3 h ASN 661 N 0.20 0.80 -0.44 0.00 2.35 -1.31 -0.60 115.58 116.59 2aw3 h ASN 661 Ca 0.00 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2aw3 h ASN 661 Cb 0.29 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2aw3 h ASN 661 CO 0.00 0.56 0.12 -0.37 -1.65 0.00 0.00 177.43 176.09 2aw3 h VAL 662 N 0.94 1.23 -0.59 2.81 -1.51 -1.58 -0.32 116.25 117.22 2aw3 h VAL 662 Ca 0.29 -0.77 -0.07 0.00 -1.23 0.00 0.00 66.70 64.91 2aw3 h VAL 662 Cb 0.01 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 2aw3 h VAL 662 CO -0.08 0.27 0.07 -0.33 -1.23 0.00 0.00 177.57 176.28 2aw3 h GLU 663 N 0.57 0.97 0.05 5.19 5.08 -1.60 -1.71 114.58 123.13 2aw3 h GLU 663 Ca 0.14 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2aw3 h GLU 663 Cb 0.29 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2aw3 h GLU 663 CO -0.00 0.91 -0.03 0.82 -1.00 0.00 0.00 179.01 179.72 2aw3 h ILE 664 N 0.91 1.03 -0.13 3.13 2.04 -1.09 -1.74 117.51 121.67 2aw3 h ILE 664 Ca 0.18 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2aw3 h ILE 664 Cb 0.43 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2aw3 h ILE 664 CO 0.01 0.07 -0.12 0.00 0.00 0.00 0.00 178.15 178.11 2aw3 h ALA 665 N 0.75 -0.02 -0.82 1.87 0.00 -0.96 0.25 119.26 120.33 2aw3 h ALA 665 Ca -0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2aw3 h ALA 665 Cb 0.17 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2aw3 h ALA 665 CO 0.01 -0.57 0.51 1.49 0.00 0.00 0.00 179.25 180.69 2aw3 h GLU 666 N -0.14 0.92 -0.22 0.00 4.81 -1.30 -1.26 114.58 117.38 2aw3 h GLU 666 Ca 0.09 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2aw3 h GLU 666 Cb 0.27 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2aw3 h GLU 666 CO -0.22 0.61 -0.15 0.87 -0.73 0.00 0.00 179.01 179.39 2aw3 h LYS 667 N 0.94 0.49 0.02 1.92 1.79 -0.90 -3.36 116.57 117.48 2aw3 h LYS 667 Ca 0.35 -0.23 -0.23 0.00 -2.18 0.00 0.00 60.65 58.35 2aw3 h LYS 667 Cb 0.12 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2aw3 h LYS 667 CO -0.15 0.79 -1.10 -0.39 -1.08 0.00 0.00 179.45 177.52 2aw3 h VAL 668 N 0.19 1.62 0.00 0.50 -1.51 -0.66 -3.47 116.25 112.92 2aw3 h VAL 668 Ca 0.04 -3.31 0.00 0.00 -1.23 0.00 0.00 66.70 62.21 2aw3 h VAL 668 Cb 0.67 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 2aw3 h VAL 668 CO 0.04 0.93 0.00 0.61 -1.23 0.00 0.00 177.57 177.92 2aw3 n GLY 669 N 1.40 2.34 0.19 5.19 0.00 -0.50 -4.72 105.19 109.09 2aw3 n GLY 669 Ca -0.03 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.47 2aw3 n GLY 669 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2aw3 h GLU 670 N 0.00 0.00 0.00 1.61 4.11 -1.92 -1.63 114.58 116.75 2aw3 h GLU 670 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2aw3 h GLU 670 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2aw3 h GLU 670 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.23 2aw3 n GLU 671 N -2.63 0.58 -0.04 1.06 0.00 -1.26 -3.78 120.64 114.57 2aw3 n GLU 671 Ca 0.02 0.03 0.04 0.00 0.00 0.00 0.00 57.16 57.24 2aw3 n GLU 671 Cb 0.29 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.30 2aw3 n GLU 671 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2aw3 n ASN 672 N -1.15 2.20 -3.64 -1.84 3.02 -0.61 -5.01 115.26 108.23 2aw3 n ASN 672 Ca 0.16 -2.40 -0.15 0.00 -0.03 0.00 0.00 54.58 52.15 2aw3 n ASN 672 Cb 0.15 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.08 2aw3 n ASN 672 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2aw3 s ILE 673 N -1.69 0.03 -0.92 2.41 2.07 -1.25 -4.72 121.20 117.14 2aw3 s ILE 673 Ca 0.13 -0.26 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 2aw3 s ILE 673 Cb 0.11 -0.83 0.24 0.00 0.13 0.00 0.00 42.46 42.11 2aw3 s ILE 673 CO 0.02 -0.14 0.87 0.49 -1.91 0.00 0.00 174.94 174.27 2aw3 n PHE 674 N 1.01 4.16 -2.59 3.50 3.01 0.02 -4.92 117.46 121.64 2aw3 n PHE 674 Ca -0.20 -4.00 -0.40 0.00 1.01 0.00 0.00 57.45 53.86 2aw3 n PHE 674 Cb 0.57 -1.17 -0.05 0.00 -0.01 0.00 0.00 39.48 38.82 2aw3 n PHE 674 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2aw3 s ILE 675 N -1.56 3.77 0.22 4.37 -1.09 -1.26 -1.79 121.20 123.86 2aw3 s ILE 675 Ca 0.29 1.75 -0.12 0.00 -2.23 0.00 0.00 60.65 60.34 2aw3 s ILE 675 Cb -0.05 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2aw3 s ILE 675 CO -0.10 0.40 0.44 0.72 -1.23 0.00 0.00 174.94 175.17 2aw3 s PHE 676 N -1.06 0.32 0.00 3.97 -0.71 -0.71 -4.91 117.98 114.88 2aw3 s PHE 676 Ca 0.44 -0.68 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 2aw3 s PHE 676 Cb -0.29 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.67 2aw3 s PHE 676 CO 0.37 -0.92 0.00 0.41 -1.34 0.00 0.00 175.22 173.74 2aw3 n GLY 677 N -0.34 -3.13 3.77 1.99 0.00 -1.26 -4.10 105.19 102.12 2aw3 n GLY 677 Ca -0.04 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2aw3 n GLY 677 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aw3 s HIS 678 N -0.90 3.11 1.02 1.61 3.76 -1.26 -4.88 115.29 117.75 2aw3 s HIS 678 Ca 0.00 1.51 -0.15 0.00 -0.15 0.00 0.00 55.06 56.27 2aw3 s HIS 678 Cb 0.00 -3.51 0.20 0.00 1.11 0.00 0.00 32.58 30.38 2aw3 s HIS 678 CO 0.00 -1.48 1.15 0.95 -0.85 0.00 0.00 174.74 174.51 2aw3 s THR 679 N -1.26 1.88 0.18 1.30 -4.23 -1.26 -4.59 115.64 107.66 2aw3 s THR 679 Ca 0.52 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.90 2aw3 s THR 679 Cb -0.35 -2.67 0.07 0.00 1.34 0.00 0.00 72.50 70.89 2aw3 s THR 679 CO 0.45 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.90 2aw3 h VAL 680 N -1.91 0.97 -0.62 2.29 2.07 -1.83 -0.55 116.25 116.67 2aw3 h VAL 680 Ca -0.49 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 2aw3 h VAL 680 Cb 1.31 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2aw3 h VAL 680 CO 0.49 0.09 0.15 -0.33 0.02 0.00 0.00 177.57 178.00 2aw3 h GLU 681 N 0.51 0.99 -0.26 1.57 3.07 -1.93 -1.47 114.58 117.05 2aw3 h GLU 681 Ca 0.22 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2aw3 h GLU 681 Cb 0.11 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2aw3 h GLU 681 CO -0.14 0.90 -0.20 1.96 -1.40 0.00 0.00 179.01 180.12 2aw3 h GLN 682 N 0.90 0.47 -0.16 2.33 4.20 -1.84 -2.41 115.11 118.60 2aw3 h GLN 682 Ca 0.19 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2aw3 h GLN 682 Cb 0.35 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2aw3 h GLN 682 CO 0.00 0.65 -0.06 0.28 -0.67 0.00 0.00 178.83 179.02 2aw3 h VAL 683 N 0.42 1.31 -0.83 -0.54 2.07 -0.78 -1.97 116.25 115.94 2aw3 h VAL 683 Ca 0.07 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.55 2aw3 h VAL 683 Cb 0.59 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2aw3 h VAL 683 CO 0.04 0.32 0.55 0.11 0.02 0.00 0.00 177.57 178.61 2aw3 h LYS 684 N -0.00 0.96 0.26 1.57 1.57 -1.25 -2.30 116.57 117.38 2aw3 h LYS 684 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2aw3 h LYS 684 Cb 0.53 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2aw3 h LYS 684 CO 0.02 0.64 -0.13 0.00 -0.57 0.00 0.00 179.45 179.41 2aw3 h ALA 685 N 1.53 -0.35 -0.97 3.86 0.00 -1.32 -1.14 119.26 120.87 2aw3 h ALA 685 Ca 0.34 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2aw3 h ALA 685 Cb 0.10 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2aw3 h ALA 685 CO -0.11 -0.59 0.63 0.82 0.00 0.00 0.00 179.25 180.00 2aw3 h ILE 686 N -0.57 1.08 -0.16 0.00 2.04 -1.21 -1.45 117.51 117.24 2aw3 h ILE 686 Ca -0.04 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 2aw3 h ILE 686 Cb 0.42 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2aw3 h ILE 686 CO 0.06 0.20 -0.43 -0.07 0.00 0.00 0.00 178.15 177.91 2aw3 h LEU 687 N 1.12 0.66 -0.73 1.44 3.38 -1.35 -2.98 115.31 116.85 2aw3 h LEU 687 Ca 0.42 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2aw3 h LEU 687 Cb 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2aw3 h LEU 687 CO -0.16 1.12 0.36 0.00 0.09 0.00 0.00 178.44 179.85 2aw3 h ALA 688 N 0.55 0.94 0.00 1.53 0.00 -0.93 -2.78 119.26 118.57 2aw3 h ALA 688 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2aw3 h ALA 688 Cb 1.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2aw3 h ALA 688 CO 0.09 0.49 0.00 -0.22 0.00 0.00 0.00 179.25 179.62 2aw3 h LYS 689 N 1.02 0.00 -0.48 0.00 3.64 -1.28 -3.48 116.57 115.99 2aw3 h LYS 689 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2aw3 h LYS 689 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2aw3 h LYS 689 CO -0.03 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.56 2aw3 n GLY 690 N -0.09 -0.15 3.67 5.01 0.00 -1.05 -5.07 105.19 107.51 2aw3 n GLY 690 Ca 0.02 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 2aw3 n GLY 690 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2aw3 s TYR 691 N 0.00 3.32 -0.50 1.61 5.04 -1.22 -4.92 117.35 120.69 2aw3 s TYR 691 Ca 0.00 0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.85 2aw3 s TYR 691 Cb 0.00 -2.24 0.13 0.00 0.35 0.00 0.00 41.96 40.20 2aw3 s TYR 691 CO 0.00 0.10 0.28 0.34 -1.34 0.00 0.00 175.55 174.94 2aw3 s ASP 692 N 0.90 5.03 0.42 4.32 2.15 -1.26 -4.98 116.67 123.25 2aw3 s ASP 692 Ca 0.07 -2.53 0.14 0.00 0.43 0.00 0.00 52.55 50.67 2aw3 s ASP 692 Cb -0.13 -1.78 1.01 0.00 -0.30 0.00 0.00 42.92 41.72 2aw3 s ASP 692 CO 0.03 -0.40 1.94 1.55 -0.17 0.00 0.00 175.17 178.12 2aw3 h PRO 693 N 7.34 0.44 -0.14 4.34 0.13 -1.90 -2.41 132.00 139.81 2aw3 h PRO 693 Ca -0.07 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 2aw3 h PRO 693 Cb 0.98 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2aw3 h PRO 693 CO 0.68 0.29 -0.35 0.28 -0.23 0.00 0.00 178.00 178.68 2aw3 h VAL 694 N 0.45 1.28 -0.46 1.56 2.07 -1.90 -0.82 116.25 118.44 2aw3 h VAL 694 Ca 0.34 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2aw3 h VAL 694 Cb 0.69 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2aw3 h VAL 694 CO -0.11 0.42 0.29 0.11 0.02 0.00 0.00 177.57 178.30 2aw3 h LYS 695 N 0.24 0.62 -0.34 1.57 1.57 -1.87 0.80 116.57 119.17 2aw3 h LYS 695 Ca 0.03 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2aw3 h LYS 695 Cb 0.73 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2aw3 h LYS 695 CO 0.06 0.44 0.14 -1.49 -0.57 0.00 0.00 179.45 178.03 2aw3 h TRP 696 N 0.62 0.51 -0.25 -1.35 4.06 -1.47 -2.56 115.95 115.51 2aw3 h TRP 696 Ca 0.17 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.14 2aw3 h TRP 696 Cb -0.03 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 27.91 2aw3 h TRP 696 CO -0.03 0.47 -0.21 -0.09 -3.56 0.00 0.00 178.44 175.02 2aw3 h ARG 697 N 0.40 -0.20 0.00 0.49 2.43 -0.85 -2.81 114.38 113.84 2aw3 h ARG 697 Ca 0.11 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2aw3 h ARG 697 Cb 0.17 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2aw3 h ARG 697 CO -0.01 -0.14 -0.17 0.87 -1.51 0.00 0.00 179.97 179.01 2aw3 h LYS 698 N -0.21 0.00 0.00 0.20 1.79 -0.74 -2.60 116.57 115.01 2aw3 h LYS 698 Ca 0.14 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.45 2aw3 h LYS 698 Cb 0.42 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2aw3 h LYS 698 CO -0.37 0.17 -0.87 0.87 -1.08 0.00 0.00 179.45 178.17 2aw3 h LYS 699 N 0.00 0.00 -5.41 3.15 1.79 -1.29 -3.44 116.57 111.38 2aw3 h LYS 699 Ca -0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.82 2aw3 h LYS 699 Cb 0.72 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.23 2aw3 h LYS 699 CO 0.02 0.66 0.10 0.34 -1.08 0.00 0.00 179.45 179.49 2aw3 s ASP 700 N -6.45 6.36 0.23 0.86 -1.08 -0.98 -4.98 116.67 110.63 2aw3 s ASP 700 Ca 0.02 -0.12 -0.07 0.00 -0.52 0.00 0.00 52.55 51.85 2aw3 s ASP 700 Cb 0.09 -2.31 0.20 0.00 -1.46 0.00 0.00 42.92 39.44 2aw3 s ASP 700 CO 0.79 -0.66 1.86 0.11 0.52 0.00 0.00 175.17 177.78 2aw3 h LYS 701 N 8.66 1.24 -0.07 4.34 1.79 -1.85 -0.99 116.57 129.69 2aw3 h LYS 701 Ca -0.26 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.03 2aw3 h LYS 701 Cb 1.11 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2aw3 h LYS 701 CO 0.85 0.90 -0.10 0.28 -1.08 0.00 0.00 179.45 180.31 2aw3 h VAL 702 N 1.24 1.40 -0.84 0.50 2.07 -1.93 -1.30 116.25 117.39 2aw3 h VAL 702 Ca 0.31 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 66.58 2aw3 h VAL 702 Cb 0.02 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 2aw3 h VAL 702 CO -0.05 0.37 0.49 0.25 0.02 0.00 0.00 177.57 178.65 2aw3 h LEU 703 N -0.28 0.72 -0.18 2.57 5.85 -1.84 -1.34 115.31 120.80 2aw3 h LEU 703 Ca 0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2aw3 h LEU 703 Cb 0.65 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2aw3 h LEU 703 CO 0.02 0.42 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.71 2aw3 h ASP 704 N 0.84 0.36 -0.69 1.25 3.58 -1.06 -2.60 116.42 118.11 2aw3 h ASP 704 Ca 0.40 -0.37 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2aw3 h ASP 704 Cb 0.33 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2aw3 h ASP 704 CO -0.23 0.65 0.34 0.00 -2.88 0.00 0.00 179.24 177.12 2aw3 h ALA 705 N 0.72 1.26 -0.01 -0.78 0.00 -1.02 -2.35 119.26 117.09 2aw3 h ALA 705 Ca 0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 2aw3 h ALA 705 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2aw3 h ALA 705 CO 0.02 0.57 -0.85 0.28 0.00 0.00 0.00 179.25 179.26 2aw3 h VAL 706 N 1.00 1.45 -0.14 0.00 2.07 -1.23 -1.99 116.25 117.41 2aw3 h VAL 706 Ca 0.24 -2.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.16 2aw3 h VAL 706 Cb 0.11 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2aw3 h VAL 706 CO -0.03 0.73 -0.48 -0.07 0.02 0.00 0.00 177.57 177.73 2aw3 h LEU 707 N 0.16 0.40 -1.16 2.57 3.38 -1.36 -3.02 115.31 116.28 2aw3 h LEU 707 Ca -0.05 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2aw3 h LEU 707 Cb 1.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2aw3 h LEU 707 CO 0.14 0.83 -0.05 0.11 0.09 0.00 0.00 178.44 179.55 2aw3 h LYS 708 N 0.30 0.52 -0.39 1.13 1.57 -1.26 -1.17 116.57 117.27 2aw3 h LYS 708 Ca 0.02 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2aw3 h LYS 708 Cb 0.96 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 2aw3 h LYS 708 CO 0.08 0.59 0.12 0.93 -0.57 0.00 0.00 179.45 180.60 2aw3 h GLU 709 N 0.50 0.26 -0.02 3.15 5.08 -1.26 -0.59 114.58 121.70 2aw3 h GLU 709 Ca 0.10 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2aw3 h GLU 709 Cb 0.40 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2aw3 h GLU 709 CO 0.02 0.17 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.67 2aw3 h LEU 710 N 0.27 0.04 -0.68 1.33 3.38 -1.31 -3.01 115.31 115.34 2aw3 h LEU 710 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2aw3 h LEU 710 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2aw3 h LEU 710 CO -0.20 0.50 0.00 -0.33 0.09 0.00 0.00 178.44 178.50 2aw3 h GLU 711 N 0.03 0.00 0.00 1.13 5.08 -0.97 -3.36 114.58 116.50 2aw3 h GLU 711 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2aw3 h GLU 711 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2aw3 h GLU 711 CO 0.06 0.00 -0.97 0.66 -1.00 0.00 0.00 179.01 177.76 2aw3 h SER 712 N 0.00 0.00 0.00 1.42 4.64 -0.96 -3.44 113.55 115.21 2aw3 h SER 712 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aw3 h SER 712 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2aw3 h SER 712 CO 0.00 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 2aw3 n GLY 713 N 1.24 0.66 0.38 -0.77 0.00 -1.25 -4.65 105.19 100.79 2aw3 n GLY 713 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.19 2aw3 n GLY 713 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2aw3 h LYS 714 N 4.35 0.50 -0.09 1.61 3.64 -1.89 -1.68 116.57 123.01 2aw3 h LYS 714 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2aw3 h LYS 714 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2aw3 h LYS 714 CO 0.00 0.33 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 2aw3 n TYR 715 N -4.72 0.09 -2.68 1.91 4.01 -1.26 -4.51 117.16 109.99 2aw3 n TYR 715 Ca 0.25 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.90 2aw3 n TYR 715 Cb 0.77 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.85 2aw3 n TYR 715 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2aw3 n SER 716 N 1.15 2.18 -3.93 7.72 3.41 -0.71 -4.64 113.62 118.80 2aw3 n SER 716 Ca 0.16 -2.39 -0.25 0.00 -0.26 0.00 0.00 58.87 56.13 2aw3 n SER 716 Cb 0.55 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 2aw3 n SER 716 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2aw3 n ASP 717 N -0.58 -0.59 0.00 4.04 2.03 -1.14 -1.32 116.55 118.99 2aw3 n ASP 717 Ca 0.14 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.47 2aw3 n ASP 717 Cb 0.83 -3.19 0.00 0.00 -0.72 0.00 0.00 41.12 38.04 2aw3 n ASP 717 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aw3 n GLY 718 N -1.91 2.45 3.55 0.27 0.00 -0.72 -4.96 105.19 103.87 2aw3 n GLY 718 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2aw3 n GLY 718 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aw3 s ASP 719 N -2.76 5.96 0.58 1.61 2.15 -0.43 -4.70 116.67 119.07 2aw3 s ASP 719 Ca 0.00 -0.24 0.36 0.00 0.43 0.00 0.00 52.55 53.09 2aw3 s ASP 719 Cb 0.00 -2.55 1.70 0.00 -0.30 0.00 0.00 42.92 41.76 2aw3 s ASP 719 CO 0.00 -1.96 2.12 0.11 -0.17 0.00 0.00 175.17 175.27 2aw3 h LYS 720 N 11.18 0.00 -0.39 4.34 1.57 -1.84 -2.93 116.57 128.50 2aw3 h LYS 720 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2aw3 h LYS 720 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2aw3 h LYS 720 CO 1.26 0.03 0.00 0.72 -0.57 0.00 0.00 179.45 180.89 2aw3 n HIS 721 N -3.20 0.51 -0.23 -1.35 8.25 -1.26 -4.64 115.22 113.31 2aw3 n HIS 721 Ca -0.01 -0.27 0.02 0.00 -0.26 0.00 0.00 57.72 57.20 2aw3 n HIS 721 Cb 0.23 -0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.45 2aw3 n HIS 721 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aw3 h ALA 722 N 4.19 0.65 -0.72 -1.41 0.00 -1.87 -2.75 119.26 117.36 2aw3 h ALA 722 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.79 2aw3 h ALA 722 Cb 0.95 0.38 -0.20 0.00 0.00 0.00 0.00 17.79 18.91 2aw3 h ALA 722 CO 0.00 -0.41 0.33 1.19 0.00 0.00 0.00 179.25 180.36 2aw3 n PHE 723 N -5.32 2.24 -0.14 0.00 3.72 -1.26 -4.76 117.46 111.95 2aw3 n PHE 723 Ca 0.11 -1.62 -0.03 0.00 -0.05 0.00 0.00 57.45 55.86 2aw3 n PHE 723 Cb 0.40 -0.73 0.04 0.00 -0.94 0.00 0.00 39.48 38.25 2aw3 n PHE 723 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2aw3 h ASP 724 N 1.33 -0.16 -0.65 4.37 3.32 -1.80 -0.23 116.42 122.60 2aw3 h ASP 724 Ca 0.41 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.51 2aw3 h ASP 724 Cb 2.33 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 42.03 2aw3 h ASP 724 CO 0.78 -0.05 0.19 1.56 -1.72 0.00 0.00 179.24 180.00 2aw3 h GLN 725 N 0.12 1.02 -0.20 3.56 4.20 -1.86 0.15 115.11 122.11 2aw3 h GLN 725 Ca 0.22 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2aw3 h GLN 725 Cb 0.32 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2aw3 h GLN 725 CO -0.36 0.90 0.01 1.98 -0.67 0.00 0.00 178.83 180.69 2aw3 h MET 726 N 0.95 0.34 -0.70 1.46 4.05 -1.73 -2.46 114.93 116.84 2aw3 h MET 726 Ca 0.21 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 2aw3 h MET 726 Cb 0.32 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 2aw3 h MET 726 CO -0.00 0.53 0.16 -0.07 0.23 0.00 0.00 176.91 177.76 2aw3 h LEU 727 N 0.11 1.06 -0.83 3.39 4.07 -0.80 -2.78 115.31 119.54 2aw3 h LEU 727 Ca 0.06 -0.23 -0.10 0.00 0.08 0.00 0.00 57.88 57.69 2aw3 h LEU 727 Cb 0.37 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2aw3 h LEU 727 CO 0.01 1.02 -0.24 0.45 -1.08 0.00 0.00 178.44 178.59 2aw3 h HIS 728 N 1.06 0.68 0.00 1.13 3.86 -0.97 -2.56 115.15 118.35 2aw3 h HIS 728 Ca 0.22 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 2aw3 h HIS 728 Cb 0.38 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2aw3 h HIS 728 CO 0.03 0.79 -0.30 0.66 0.86 0.00 0.00 177.93 179.98 2aw3 h SER 729 N 0.53 0.00 -0.21 2.45 4.64 -1.15 -0.96 113.55 118.86 2aw3 h SER 729 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2aw3 h SER 729 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2aw3 h SER 729 CO 0.05 0.30 0.00 2.30 -0.87 0.00 0.00 176.83 178.61 2aw3 n ILE 730 N -4.10 0.46 -1.36 0.95 -5.35 -1.16 -1.40 119.36 107.40 2aw3 n ILE 730 Ca -0.02 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 2aw3 n ILE 730 Cb 0.35 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 2aw3 n ILE 730 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aw3 n GLY 731 N 0.79 3.66 0.29 3.28 0.00 -0.97 -4.50 105.19 107.73 2aw3 n GLY 731 Ca 0.11 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 2aw3 n GLY 731 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2aw3 h LYS 732 N 0.00 1.01 -0.06 1.61 1.63 -1.86 -0.34 116.57 118.56 2aw3 h LYS 732 Ca 0.00 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 2aw3 h LYS 732 Cb 0.00 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 2aw3 h LYS 732 CO 0.00 0.99 0.01 1.96 -3.45 0.00 0.00 179.45 178.96 2aw3 h GLN 733 N 0.91 0.09 0.00 1.90 7.50 -1.93 -3.27 115.11 120.31 2aw3 h GLN 733 Ca 0.17 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.24 2aw3 h GLN 733 Cb 0.50 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 2aw3 h GLN 733 CO 0.02 0.32 -1.16 0.41 -1.50 0.00 0.00 178.83 176.92 2aw3 n GLY 734 N -0.42 -1.36 2.30 3.46 0.00 -0.38 -4.98 105.19 103.82 2aw3 n GLY 734 Ca -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 2aw3 n GLY 734 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw3 n GLY 735 N 1.26 0.67 3.85 -0.02 0.00 -0.14 -4.30 105.19 106.52 2aw3 n GLY 735 Ca -0.04 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2aw3 n GLY 735 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2aw3 n ASP 736 N 0.19 -2.91 0.32 1.61 2.03 -0.49 -4.80 116.55 112.50 2aw3 n ASP 736 Ca -0.04 -1.05 0.20 0.00 0.52 0.00 0.00 54.79 54.42 2aw3 n ASP 736 Cb 0.23 -3.03 1.07 0.00 -0.72 0.00 0.00 41.12 38.67 2aw3 n ASP 736 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aw3 h PRO 737 N -1.95 0.00 -0.50 -0.67 0.13 -1.75 -1.06 132.00 126.20 2aw3 h PRO 737 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2aw3 h PRO 737 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2aw3 h PRO 737 CO 0.55 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.98 2aw3 n TYR 738 N -2.95 0.83 -3.57 1.56 4.01 -1.26 -4.99 117.16 110.79 2aw3 n TYR 738 Ca -0.03 -0.55 -0.20 0.00 -0.16 0.00 0.00 57.90 56.96 2aw3 n TYR 738 Cb 0.14 -0.08 0.06 0.00 -0.31 0.00 0.00 39.34 39.15 2aw3 n TYR 738 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2aw3 n LEU 739 N 0.86 -3.55 -0.01 7.72 4.77 -0.40 -4.67 117.00 121.72 2aw3 n LEU 739 Ca 0.19 -0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 55.35 2aw3 n LEU 739 Cb 0.61 -2.90 -0.05 0.00 -2.33 0.00 0.00 43.42 38.74 2aw3 n LEU 739 CO 0.14 0.41 0.92 0.58 -1.33 0.00 0.00 177.39 178.11 2aw3 h VAL 740 N -1.93 1.03 -0.71 4.08 2.07 -1.94 -2.75 116.25 116.09 2aw3 h VAL 740 Ca -0.60 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2aw3 h VAL 740 Cb 1.35 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2aw3 h VAL 740 CO 0.54 0.03 0.16 0.24 0.02 0.00 0.00 177.57 178.56 2aw3 h MET 741 N 0.15 1.14 0.00 1.57 2.86 -1.91 -2.14 114.93 116.60 2aw3 h MET 741 Ca 0.04 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2aw3 h MET 741 Cb -0.02 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 2aw3 h MET 741 CO -0.01 1.01 -0.01 0.00 1.06 0.00 0.00 176.91 178.96 2aw3 h ALA 742 N 1.09 1.00 -0.01 6.32 0.00 -1.91 -3.02 119.26 122.73 2aw3 h ALA 742 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2aw3 h ALA 742 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2aw3 h ALA 742 CO 0.00 0.01 -0.34 -0.25 0.00 0.00 0.00 179.25 178.67 2aw3 n ASP 743 N -3.10 1.57 0.07 0.00 8.00 -1.04 -4.70 116.55 117.35 2aw3 n ASP 743 Ca 0.02 -1.29 -0.12 0.00 0.71 0.00 0.00 54.79 54.11 2aw3 n ASP 743 Cb 0.37 0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 41.91 2aw3 n ASP 743 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2aw3 h PHE 744 N 1.69 -0.61 -0.41 1.24 3.57 -1.25 -2.13 116.94 119.04 2aw3 h PHE 744 Ca 0.00 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 2aw3 h PHE 744 Cb 0.53 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2aw3 h PHE 744 CO 0.00 -0.32 -0.16 0.00 -2.23 0.00 0.00 178.31 175.60 2aw3 h ALA 745 N 0.46 0.95 -0.21 2.41 0.00 -1.84 -1.64 119.26 119.39 2aw3 h ALA 745 Ca 0.05 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2aw3 h ALA 745 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2aw3 h ALA 745 CO -0.18 0.61 -0.30 0.00 0.00 0.00 0.00 179.25 179.37 2aw3 h ALA 746 N 1.14 1.10 -0.02 0.00 0.00 -1.82 -2.00 119.26 117.64 2aw3 h ALA 746 Ca 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2aw3 h ALA 746 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2aw3 h ALA 746 CO 0.05 0.56 -0.03 -0.92 0.00 0.00 0.00 179.25 178.91 2aw3 h TYR 747 N 0.36 0.07 -0.94 0.00 3.20 -0.99 -2.20 116.97 116.47 2aw3 h TYR 747 Ca 0.05 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.01 2aw3 h TYR 747 Cb 0.72 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 2aw3 h TYR 747 CO 0.02 0.54 0.57 0.28 -1.64 0.00 0.00 178.16 177.93 2aw3 h VAL 748 N -0.41 0.90 0.08 1.81 2.07 -1.22 -0.70 116.25 118.78 2aw3 h VAL 748 Ca 0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2aw3 h VAL 748 Cb 0.53 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2aw3 h VAL 748 CO 0.01 0.17 -0.04 -0.08 0.02 0.00 0.00 177.57 177.64 2aw3 h GLU 749 N 0.91 -0.11 -0.88 1.57 4.57 -1.30 -2.24 114.58 117.10 2aw3 h GLU 749 Ca 0.47 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.69 2aw3 h GLU 749 Cb 0.47 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 2aw3 h GLU 749 CO -0.27 0.19 0.57 0.00 -1.18 0.00 0.00 179.01 178.32 2aw3 h ALA 750 N 0.48 1.17 -0.54 2.92 0.00 -1.04 -0.40 119.26 121.85 2aw3 h ALA 750 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2aw3 h ALA 750 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2aw3 h ALA 750 CO 0.02 0.41 0.36 1.96 0.00 0.00 0.00 179.25 181.99 2aw3 h GLN 751 N 1.09 0.68 -0.60 0.00 1.08 -1.03 -2.10 115.11 114.24 2aw3 h GLN 751 Ca 0.35 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 2aw3 h GLN 751 Cb 0.02 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 2aw3 h GLN 751 CO -0.12 0.45 0.04 0.87 -0.95 0.00 0.00 178.83 179.11 2aw3 h LYS 752 N 0.70 1.01 0.00 1.46 1.57 -0.45 -1.81 116.57 119.05 2aw3 h LYS 752 Ca 0.20 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2aw3 h LYS 752 Cb -0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2aw3 h LYS 752 CO -0.05 0.97 -0.08 1.96 -0.57 0.00 0.00 179.45 181.68 2aw3 h GLN 753 N 0.94 0.00 -0.44 3.15 4.20 -0.99 -2.97 115.11 118.99 2aw3 h GLN 753 Ca 0.18 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 2aw3 h GLN 753 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2aw3 h GLN 753 CO 0.02 0.08 0.06 0.28 -0.67 0.00 0.00 178.83 178.60 2aw3 h VAL 754 N 0.00 1.25 -0.69 -0.54 2.07 -1.03 -2.86 116.25 114.45 2aw3 h VAL 754 Ca -0.00 -0.93 0.11 0.00 0.82 0.00 0.00 66.70 66.71 2aw3 h VAL 754 Cb 0.34 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 2aw3 h VAL 754 CO 0.01 0.32 0.28 0.44 0.02 0.00 0.00 177.57 178.64 2aw3 h ASP 755 N 0.60 0.29 0.01 0.57 5.19 -1.54 -1.56 116.42 119.98 2aw3 h ASP 755 Ca 0.13 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2aw3 h ASP 755 Cb 0.40 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2aw3 h ASP 755 CO 0.01 0.15 -0.00 0.58 -3.12 0.00 0.00 179.24 176.86 2aw3 h VAL 756 N 0.46 1.23 -0.72 -1.35 2.07 -1.56 -2.50 116.25 113.89 2aw3 h VAL 756 Ca 0.36 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2aw3 h VAL 756 Cb 0.47 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2aw3 h VAL 756 CO -0.34 0.18 0.35 0.25 0.02 0.00 0.00 177.57 178.03 2aw3 h LEU 757 N -0.31 0.92 -1.02 2.57 5.85 -1.36 -3.07 115.31 118.89 2aw3 h LEU 757 Ca -0.00 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 2aw3 h LEU 757 Cb 0.31 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2aw3 h LEU 757 CO 0.00 0.78 -0.41 0.22 -0.34 0.00 0.00 178.44 178.69 2aw3 h TYR 758 N 1.01 0.19 -0.39 1.25 3.20 -1.07 -2.04 116.97 119.12 2aw3 h TYR 758 Ca 0.25 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2aw3 h TYR 758 Cb 0.10 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2aw3 h TYR 758 CO 0.01 0.55 0.05 0.00 -1.64 0.00 0.00 178.16 177.13 2aw3 h ARG 759 N 0.14 0.59 -4.75 1.82 3.08 -1.35 -3.33 114.38 110.57 2aw3 h ARG 759 Ca 0.01 -0.11 -0.71 0.00 0.07 0.00 0.00 59.98 59.24 2aw3 h ARG 759 Cb 0.78 -0.09 -0.19 0.00 0.08 0.00 0.00 29.97 30.55 2aw3 h ARG 759 CO 0.06 0.57 0.58 0.34 -1.07 0.00 0.00 179.97 180.45 2aw3 s ASP 760 N -6.70 6.58 0.41 7.04 2.15 -0.77 -4.92 116.67 120.47 2aw3 s ASP 760 Ca -0.08 -2.06 0.20 0.00 0.43 0.00 0.00 52.55 51.04 2aw3 s ASP 760 Cb 0.16 -2.35 0.86 0.00 -0.30 0.00 0.00 42.92 41.29 2aw3 s ASP 760 CO 0.77 -0.98 1.82 1.56 -0.17 0.00 0.00 175.17 178.16 2aw3 h GLN 761 N 8.68 0.00 -0.45 4.34 1.08 -1.75 -0.94 115.11 126.08 2aw3 h GLN 761 Ca 0.07 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2aw3 h GLN 761 Cb 1.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 2aw3 h GLN 761 CO 1.03 0.31 0.08 1.49 -0.95 0.00 0.00 178.83 180.79 2aw3 h GLU 762 N 0.00 0.73 -0.08 1.46 4.81 -1.91 -2.43 114.58 117.17 2aw3 h GLU 762 Ca -0.00 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.82 2aw3 h GLU 762 Cb 0.74 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.05 2aw3 h GLU 762 CO 0.04 0.75 -0.80 0.00 -0.73 0.00 0.00 179.01 178.27 2aw3 h ALA 763 N 0.95 0.20 0.34 2.92 0.00 -1.51 -2.24 119.26 119.91 2aw3 h ALA 763 Ca 0.14 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2aw3 h ALA 763 Cb 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2aw3 h ALA 763 CO 0.01 0.59 -0.50 2.35 0.00 0.00 0.00 179.25 181.70 2aw3 h TRP 764 N 0.35 -1.40 -0.80 0.00 2.91 -1.37 -1.48 115.95 114.16 2aw3 h TRP 764 Ca -0.08 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.01 2aw3 h TRP 764 Cb 1.45 0.57 -0.05 0.00 -0.51 0.00 0.00 29.16 30.61 2aw3 h TRP 764 CO 0.10 -0.63 0.53 1.15 -1.03 0.00 0.00 178.44 178.56 2aw3 h THR 765 N -0.88 1.09 0.15 2.65 2.02 -1.41 0.10 112.91 116.63 2aw3 h THR 765 Ca -0.03 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.84 2aw3 h THR 765 Cb 0.81 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2aw3 h THR 765 CO -0.15 0.17 -0.23 0.03 0.37 0.00 0.00 175.52 175.71 2aw3 h ARG 766 N 0.93 -0.43 -0.90 6.66 3.08 -1.35 0.29 114.38 122.66 2aw3 h ARG 766 Ca 0.33 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.43 2aw3 h ARG 766 Cb 0.13 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2aw3 h ARG 766 CO -0.11 -0.29 0.59 0.00 -1.07 0.00 0.00 179.97 179.09 2aw3 h ALA 767 N 0.29 1.16 -0.35 0.04 0.00 -0.03 -1.73 119.26 118.65 2aw3 h ALA 767 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2aw3 h ALA 767 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2aw3 h ALA 767 CO -0.10 0.49 0.05 0.00 0.00 0.00 0.00 179.25 179.69 2aw3 h ALA 768 N 1.35 0.47 0.00 0.00 0.00 -0.54 -2.27 119.26 118.26 2aw3 h ALA 768 Ca 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2aw3 h ALA 768 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2aw3 h ALA 768 CO -0.09 0.17 -0.13 0.82 0.00 0.00 0.00 179.25 180.02 2aw3 h ILE 769 N 0.42 1.05 0.00 0.00 2.04 -0.38 -1.83 117.51 118.81 2aw3 h ILE 769 Ca 0.11 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2aw3 h ILE 769 Cb 0.36 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2aw3 h ILE 769 CO 0.01 0.12 -0.60 -0.07 0.00 0.00 0.00 178.15 177.62 2aw3 h LEU 770 N 0.00 0.00 -0.31 1.44 3.38 -0.83 0.22 115.31 119.21 2aw3 h LEU 770 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2aw3 h LEU 770 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2aw3 h LEU 770 CO 0.02 0.44 0.08 0.78 0.09 0.00 0.00 178.44 179.84 2aw3 h ASN 771 N 0.00 0.46 0.34 -0.43 2.35 -0.81 -2.40 115.58 115.09 2aw3 h ASN 771 Ca -0.03 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2aw3 h ASN 771 Cb 1.36 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 2aw3 h ASN 771 CO 0.05 0.56 -0.29 0.74 -1.65 0.00 0.00 177.43 176.84 2aw3 h THR 772 N 0.33 0.39 -0.02 2.81 2.02 -1.18 -2.95 112.91 114.32 2aw3 h THR 772 Ca 0.10 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 2aw3 h THR 772 Cb 0.28 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2aw3 h THR 772 CO -0.00 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 2aw3 h ALA 773 N -0.08 1.48 -0.43 6.16 0.00 -0.96 -3.12 119.26 122.29 2aw3 h ALA 773 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2aw3 h ALA 773 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2aw3 h ALA 773 CO -0.03 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.15 2aw3 n ARG 774 N -4.18 2.46 -0.37 0.00 1.74 -0.90 -2.49 116.66 112.91 2aw3 n ARG 774 Ca -0.02 -2.23 0.09 0.00 -0.77 0.00 0.00 57.85 54.92 2aw3 n ARG 774 Cb 0.35 -1.44 0.28 0.00 -1.02 0.00 0.00 32.46 30.62 2aw3 n ARG 774 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aw3 h GLY 776 N 3.45 0.10 2.00 0.00 0.00 -1.77 -1.38 103.07 105.47 2aw3 h GLY 776 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2aw3 h GLY 776 CO 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.59 2aw3 h MET 777 N 0.02 0.00 -0.27 4.80 -0.00 -1.88 -3.12 114.93 114.49 2aw3 h MET 777 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.31 2aw3 h MET 777 Cb 2.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.99 2aw3 h MET 777 CO -0.03 0.00 0.00 1.19 -0.00 0.00 0.00 176.91 178.07 2aw3 n PHE 778 N -2.43 0.35 -1.72 -0.10 3.72 -0.52 -4.76 117.46 112.00 2aw3 n PHE 778 Ca -0.00 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 2aw3 n PHE 778 Cb 0.12 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2aw3 n PHE 778 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2aw3 n SER 779 N 0.72 3.47 0.28 4.37 2.88 -1.18 -0.84 113.62 123.33 2aw3 n SER 779 Ca 0.17 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 59.01 2aw3 n SER 779 Cb 0.41 -1.54 0.82 0.00 -0.75 0.00 0.00 64.21 63.15 2aw3 n SER 779 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2aw3 h SER 780 N 4.29 0.00 -0.70 -3.46 4.64 -1.07 -2.45 113.55 114.80 2aw3 h SER 780 Ca -0.47 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.94 2aw3 h SER 780 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 2aw3 h SER 780 CO 0.76 0.07 0.36 0.44 -0.87 0.00 0.00 176.83 177.58 2aw3 h ASP 781 N 0.00 0.49 -0.43 4.97 3.32 -1.91 0.12 116.42 122.98 2aw3 h ASP 781 Ca -0.00 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2aw3 h ASP 781 Cb 0.19 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2aw3 h ASP 781 CO 0.01 0.29 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.63 2aw3 h ARG 782 N 0.63 0.89 -0.47 3.56 1.12 -1.74 -2.15 114.38 116.22 2aw3 h ARG 782 Ca 0.33 -0.31 0.05 0.00 -1.11 0.00 0.00 59.98 58.94 2aw3 h ARG 782 Cb 0.31 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.16 2aw3 h ARG 782 CO -0.24 0.95 0.22 0.77 -3.11 0.00 0.00 179.97 178.55 2aw3 h SER 783 N 0.80 0.29 -0.81 -3.80 0.02 -1.20 -1.65 113.55 107.20 2aw3 h SER 783 Ca 0.13 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2aw3 h SER 783 Cb 0.62 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2aw3 h SER 783 CO 0.04 0.21 0.38 0.40 -1.14 0.00 0.00 176.83 176.72 2aw3 h ILE 784 N 0.43 1.25 -0.61 3.27 1.08 -0.61 -0.63 117.51 121.70 2aw3 h ILE 784 Ca 0.21 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 2aw3 h ILE 784 Cb 0.15 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 2aw3 h ILE 784 CO -0.17 0.31 0.21 0.03 -0.69 0.00 0.00 178.15 177.84 2aw3 h ARG 785 N 1.17 0.94 -0.17 2.37 -0.00 -1.09 -0.45 114.38 117.14 2aw3 h ARG 785 Ca 0.28 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.98 59.57 2aw3 h ARG 785 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 29.95 2aw3 h ARG 785 CO -0.03 0.82 0.09 -0.44 0.00 0.00 0.00 179.97 180.41 2aw3 h ASP 786 N 0.87 0.21 -0.68 7.04 3.32 -0.42 -2.21 116.42 124.55 2aw3 h ASP 786 Ca 0.20 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.21 2aw3 h ASP 786 Cb 0.26 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2aw3 h ASP 786 CO -0.01 0.23 0.41 1.88 -1.72 0.00 0.00 179.24 180.03 2aw3 h TYR 787 N 0.17 0.76 -0.21 4.55 0.05 -0.90 -1.95 116.97 119.44 2aw3 h TYR 787 Ca 0.06 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.90 2aw3 h TYR 787 Cb 0.07 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 2aw3 h TYR 787 CO -0.04 0.41 -0.03 1.96 -1.05 0.00 0.00 178.16 179.41 2aw3 h GLN 788 N 0.79 0.02 0.00 4.88 4.20 -0.74 -0.41 115.11 123.85 2aw3 h GLN 788 Ca 0.28 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.82 2aw3 h GLN 788 Cb 0.08 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2aw3 h GLN 788 CO -0.13 0.01 -0.83 0.00 -0.67 0.00 0.00 178.83 177.21 2aw3 h ALA 789 N 1.20 0.48 0.00 3.87 0.00 -1.30 0.40 119.26 123.90 2aw3 h ALA 789 Ca 0.10 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 2aw3 h ALA 789 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2aw3 h ALA 789 CO -0.20 1.04 -1.86 0.54 0.00 0.00 0.00 179.25 178.78 2aw3 n ARG 790 N -3.34 0.65 0.07 0.00 1.74 -0.74 -4.39 116.66 110.65 2aw3 n ARG 790 Ca 0.01 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2aw3 n ARG 790 Cb 0.86 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 2aw3 n ARG 790 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2aw3 n ILE 791 N -2.46 0.10 -0.05 0.55 5.41 -0.28 -4.77 119.36 117.85 2aw3 n ILE 791 Ca -0.09 0.03 -0.15 0.00 1.00 0.00 0.00 62.75 63.55 2aw3 n ILE 791 Cb 0.69 -0.41 -0.07 0.00 -0.71 0.00 0.00 39.64 39.13 2aw3 n ILE 791 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2aw3 h TRP 792 N 0.00 0.72 -0.56 1.39 6.55 -1.25 -3.16 115.95 119.63 2aw3 h TRP 792 Ca 0.00 -0.27 0.00 0.00 0.95 0.00 0.00 58.89 59.57 2aw3 h TRP 792 Cb 0.00 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.17 2aw3 h TRP 792 CO 0.00 1.02 0.00 1.04 -1.05 0.00 0.00 178.44 179.45 2aw3 n GLN 793 N -4.28 2.66 -1.21 0.49 1.13 0.14 -4.67 117.38 111.64 2aw3 n GLN 793 Ca -0.06 -2.41 -0.30 0.00 -1.94 0.00 0.00 57.00 52.29 2aw3 n GLN 793 Cb 0.53 -1.48 0.14 0.00 0.11 0.00 0.00 30.24 29.55 2aw3 n GLN 793 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aw3 s ALA 794 N -1.08 1.49 0.14 -1.58 0.00 -1.20 -4.93 121.76 114.61 2aw3 s ALA 794 Ca 0.40 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.02 2aw3 s ALA 794 Cb 0.21 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 2aw3 s ALA 794 CO 0.28 -2.40 0.72 0.21 0.00 0.00 0.00 175.76 174.57 2aw3 s LYS 795 N -4.95 4.45 0.00 0.00 2.47 -1.26 -4.99 119.74 115.47 2aw3 s LYS 795 Ca 0.64 1.03 0.19 0.00 -1.56 0.00 0.00 55.97 56.26 2aw3 s LYS 795 Cb -0.18 -3.24 0.15 0.00 -1.46 0.00 0.00 37.83 33.10 2aw3 s LYS 795 CO 0.57 0.59 1.09 0.54 0.16 0.00 0.00 175.35 178.29