#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq s ASN 5 N 0.00 4.07 -0.25 4.39 -0.87 -1.26 -5.12 114.94 115.91 2waq s ASN 5 Ca 0.00 -0.93 -0.18 0.00 -1.57 0.00 0.00 52.86 50.17 2waq s ASN 5 Cb 0.00 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.25 40.67 2waq s ASN 5 CO 0.00 -0.10 0.53 -0.63 -2.57 0.00 0.00 177.10 174.33 2waq s ILE 6 N -2.48 5.07 -0.15 0.60 1.01 -1.26 -4.97 121.20 119.02 2waq s ILE 6 Ca 0.32 0.93 -0.25 0.00 0.00 0.00 0.00 60.65 61.66 2waq s ILE 6 Cb -0.03 -3.84 -0.25 0.00 0.01 0.00 0.00 42.46 38.35 2waq s ILE 6 CO 0.18 0.10 0.59 0.50 0.00 0.00 0.00 174.94 176.31 2waq h LYS 7 N 7.87 0.06 0.00 2.79 3.64 -2.10 -3.50 116.57 125.33 2waq h LYS 7 Ca -0.30 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2waq h LYS 7 Cb 1.14 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2waq h LYS 7 CO 0.73 1.05 0.14 0.41 -2.27 0.00 0.00 179.45 179.50 2waq n GLY 8 N 1.58 1.45 2.77 5.01 0.00 -1.26 -5.16 105.19 109.58 2waq n GLY 8 Ca -0.19 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 2waq n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2waq s ILE 9 N -2.58 0.36 0.08 -0.61 1.01 -1.26 -5.13 121.20 113.08 2waq s ILE 9 Ca 0.07 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 2waq s ILE 9 Cb -0.02 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 2waq s ILE 9 CO 0.04 0.26 0.94 -0.54 0.00 0.00 0.00 174.94 175.64 2waq s LYS 10 N 1.94 4.65 0.16 2.79 1.02 -1.26 -5.07 119.74 123.97 2waq s LYS 10 Ca 0.04 1.40 0.07 0.00 0.02 0.00 0.00 55.97 57.51 2waq s LYS 10 Cb -0.12 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2waq s LYS 10 CO -0.05 0.17 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.46 2waq s PHE 11 N 0.18 2.81 -0.08 3.18 0.40 -1.26 -5.12 117.98 118.09 2waq s PHE 11 Ca 0.47 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.35 2waq s PHE 11 Cb -0.23 -1.38 0.10 0.00 0.51 0.00 0.00 43.02 42.02 2waq s PHE 11 CO 0.29 0.50 1.35 0.20 0.70 0.00 0.00 175.22 178.26 2waq s GLY 12 N -2.76 -0.20 -0.18 4.36 0.00 -1.26 -4.77 107.32 102.51 2waq s GLY 12 Ca 0.26 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.93 2waq s GLY 12 CO 0.17 6.61 0.52 -0.42 0.00 0.00 0.00 173.10 179.98 2waq s ILE 13 N -2.01 5.12 -0.47 0.90 1.01 -1.02 -4.93 121.20 119.80 2waq s ILE 13 Ca 0.32 0.97 -0.28 0.00 0.00 0.00 0.00 60.65 61.66 2waq s ILE 13 Cb -0.00 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 2waq s ILE 13 CO -0.02 0.21 1.60 -0.22 0.00 0.00 0.00 174.94 176.50 2waq s LEU 14 N 1.40 3.46 0.39 2.97 2.96 -1.26 -4.51 118.68 124.09 2waq s LEU 14 Ca 0.25 0.71 -0.27 0.00 -0.22 0.00 0.00 54.13 54.60 2waq s LEU 14 Cb -0.15 -3.21 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 2waq s LEU 14 CO 0.10 -1.76 1.36 -0.94 -1.32 0.00 0.00 176.35 173.79 2waq s SER 15 N 5.40 6.36 0.64 3.68 1.04 -1.26 -4.89 113.70 124.65 2waq s SER 15 Ca 0.65 2.78 0.28 0.00 0.48 0.00 0.00 55.95 60.14 2waq s SER 15 Cb -0.15 -2.65 1.51 0.00 0.10 0.00 0.00 66.02 64.83 2waq s SER 15 CO 0.29 -0.83 1.88 -0.65 0.98 0.00 0.00 173.24 174.90 2waq h PRO 16 N 2.85 0.00 0.40 4.02 0.11 -1.91 -2.54 132.00 134.92 2waq h PRO 16 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2waq h PRO 16 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2waq h PRO 16 CO 0.63 0.00 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.79 2waq h ASP 17 N 0.00 -0.45 -0.14 -2.05 3.32 -1.98 -2.95 116.42 112.17 2waq h ASP 17 Ca 0.08 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2waq h ASP 17 Cb 0.91 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2waq h ASP 17 CO -0.00 -0.04 0.07 -0.33 -1.72 0.00 0.00 179.24 177.22 2waq h GLU 18 N -0.97 0.25 0.09 3.56 5.08 -1.84 -2.43 114.58 118.31 2waq h GLU 18 Ca -0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2waq h GLU 18 Cb 0.54 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2waq h GLU 18 CO 0.09 0.21 -0.04 0.82 -1.00 0.00 0.00 179.01 179.09 2waq h ILE 19 N 0.25 0.94 -0.63 3.13 2.04 -1.57 -3.13 117.51 118.55 2waq h ILE 19 Ca 0.06 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2waq h ILE 19 Cb 0.06 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2waq h ILE 19 CO -0.01 0.03 0.25 0.03 0.00 0.00 0.00 178.15 178.45 2waq h ARG 20 N -0.16 0.93 -6.00 2.37 3.08 -1.26 -3.42 114.38 109.91 2waq h ARG 20 Ca -0.01 -0.15 -0.71 0.00 0.07 0.00 0.00 59.98 59.18 2waq h ARG 20 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2waq h ARG 20 CO 0.02 0.76 1.35 1.63 -1.07 0.00 0.00 179.97 182.66 2waq n LYS 21 N -4.31 0.70 0.00 0.04 4.01 -1.00 -3.72 118.16 113.88 2waq n LYS 21 Ca 0.05 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 2waq n LYS 21 Cb 0.17 -2.10 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 2waq n LYS 21 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2waq n MET 22 N 7.77 0.00 -2.12 1.97 2.81 -1.26 -4.89 117.12 121.40 2waq n MET 22 Ca 0.45 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.93 2waq n MET 22 Cb 0.13 -0.58 -0.02 0.00 -0.71 0.00 0.00 33.22 32.04 2waq n MET 22 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2waq s SER 23 N 0.00 6.77 0.88 7.83 0.01 -1.24 -4.97 113.70 122.98 2waq s SER 23 Ca 0.00 2.69 -0.11 0.00 1.31 0.00 0.00 55.95 59.83 2waq s SER 23 Cb 0.00 -2.65 0.12 0.00 0.21 0.00 0.00 66.02 63.70 2waq s SER 23 CO 0.00 -0.53 1.12 1.33 0.41 0.00 0.00 173.24 175.56 2waq n VAL 24 N 0.83 0.71 -3.79 3.43 0.24 -1.21 -4.90 118.33 113.64 2waq n VAL 24 Ca 0.00 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.34 61.98 2waq n VAL 24 Cb 0.42 -1.04 -0.17 0.00 -1.47 0.00 0.00 33.84 31.57 2waq n VAL 24 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2waq s THR 25 N -2.44 0.47 0.66 3.34 2.01 -1.26 -2.88 115.64 115.54 2waq s THR 25 Ca 0.69 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.60 2waq s THR 25 Cb -0.25 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2waq s THR 25 CO 0.56 0.28 1.11 0.00 -0.69 0.00 0.00 174.62 175.87 2waq s ALA 26 N 1.93 2.48 0.00 7.40 0.00 -0.77 -4.79 121.76 128.02 2waq s ALA 26 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2waq s ALA 26 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2waq s ALA 26 CO -0.06 -1.27 0.00 -0.89 0.00 0.00 0.00 175.76 173.55 2waq n ILE 27 N -2.45 0.00 -2.12 0.00 5.41 -1.25 -4.71 119.36 114.24 2waq n ILE 27 Ca 0.10 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.58 2waq n ILE 27 Cb 0.52 -0.60 0.13 0.00 -0.71 0.00 0.00 39.64 38.98 2waq n ILE 27 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2waq s ILE 28 N -1.79 2.09 -0.14 1.39 1.01 -1.25 -5.08 121.20 117.43 2waq s ILE 28 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 2waq s ILE 28 Cb 0.00 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 2waq s ILE 28 CO 0.00 0.00 -0.26 0.41 0.00 0.00 0.00 174.94 175.09 2waq n THR 29 N -3.34 1.35 0.00 2.92 -1.04 -1.26 -4.92 114.28 107.99 2waq n THR 29 Ca 0.13 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2waq n THR 29 Cb 0.60 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 2waq n THR 29 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2waq n PRO 30 N -4.13 0.00 0.06 -2.82 -0.04 -1.26 -5.01 135.00 121.81 2waq n PRO 30 Ca -0.20 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2waq n PRO 30 Cb 0.51 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 2waq n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2waq n GLY 42 N 2.05 -0.97 0.74 0.55 0.00 -1.26 -5.03 105.19 101.28 2waq n GLY 42 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2waq n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2waq n SER 43 N -2.71 1.19 -4.11 1.61 3.41 -1.26 -4.86 113.62 106.89 2waq n SER 43 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 2waq n SER 43 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2waq n SER 43 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2waq n VAL 44 N -2.77 5.11 0.00 -3.33 0.31 -1.26 -4.18 118.33 112.21 2waq n VAL 44 Ca 0.00 -5.77 0.00 0.00 -0.01 0.00 0.00 64.34 58.56 2waq n VAL 44 Cb 0.45 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 2waq n VAL 44 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2waq n MET 45 N 1.74 0.00 -0.00 5.55 0.00 -1.26 -3.77 117.12 119.37 2waq n MET 45 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.94 2waq n MET 45 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.57 2waq n MET 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2waq n ASP 46 N -1.02 0.27 -4.80 6.12 9.92 -1.26 -4.99 116.55 120.79 2waq n ASP 46 Ca 0.00 0.04 -0.31 0.00 -0.53 0.00 0.00 54.79 53.99 2waq n ASP 46 Cb 0.00 -0.33 0.07 0.00 -0.64 0.00 0.00 41.12 40.22 2waq n ASP 46 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2waq s PRO 47 N -1.26 2.66 0.00 -0.24 0.04 -1.26 -3.33 135.00 131.62 2waq s PRO 47 Ca -0.03 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2waq s PRO 47 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2waq s PRO 47 CO 0.04 -1.31 0.00 0.54 0.04 0.00 0.00 177.00 176.31 2waq n ARG 48 N -3.28 0.00 -0.09 4.56 1.74 -1.26 -4.85 116.66 113.49 2waq n ARG 48 Ca 0.08 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 2waq n ARG 48 Cb 0.53 -1.45 0.11 0.00 -1.02 0.00 0.00 32.46 30.63 2waq n ARG 48 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2waq n LEU 49 N 0.00 2.42 0.00 0.55 4.77 -1.21 -4.55 117.00 118.98 2waq n LEU 49 Ca 0.00 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2waq n LEU 49 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2waq n LEU 49 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2waq n GLY 50 N -0.96 1.44 3.00 -0.72 0.00 -1.26 -2.20 105.19 104.49 2waq n GLY 50 Ca 0.11 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 2waq n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2waq s VAL 51 N -1.33 2.06 0.05 1.61 -7.23 -1.26 -4.82 120.40 109.48 2waq s VAL 51 Ca 0.00 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 2waq s VAL 51 Cb 0.00 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2waq s VAL 51 CO 0.00 -0.41 0.96 0.27 -0.31 0.00 0.00 175.10 175.61 2waq s ILE 52 N 1.06 4.70 0.42 -0.62 -4.36 -1.26 -4.37 121.20 116.77 2waq s ILE 52 Ca 0.04 2.05 0.00 0.00 -0.26 0.00 0.00 60.65 62.48 2waq s ILE 52 Cb -0.19 -4.31 0.00 0.00 1.25 0.00 0.00 42.46 39.20 2waq s ILE 52 CO -0.09 0.24 0.00 -0.62 0.24 0.00 0.00 174.94 174.71 2waq n GLU 53 N 3.35 -2.75 -1.56 0.37 1.02 -1.26 -4.85 120.64 114.96 2waq n GLU 53 Ca 0.04 2.16 -0.46 0.00 -0.02 0.00 0.00 57.16 58.88 2waq n GLU 53 Cb 0.50 -2.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.10 2waq n GLU 53 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2waq n PRO 54 N -2.65 1.09 0.00 3.49 -0.04 -1.26 -4.80 135.00 130.83 2waq n PRO 54 Ca -0.02 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2waq n PRO 54 Cb 0.38 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2waq n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2waq n GLY 55 N 1.47 -0.51 0.00 0.55 0.00 -1.26 -5.08 105.19 100.37 2waq n GLY 55 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2waq n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2waq n GLN 56 N 0.00 3.79 -3.33 1.61 6.02 -1.26 -4.82 117.38 119.39 2waq n GLN 56 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 2waq n GLN 56 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 2waq n GLN 56 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2waq s LYS 57 N 2.72 3.13 0.09 -1.09 1.02 -1.26 -3.61 119.74 120.74 2waq s LYS 57 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 2waq s LYS 57 Cb 0.00 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.53 2waq s LYS 57 CO 0.00 -0.03 1.06 0.00 -0.92 0.00 0.00 175.35 175.46 2waq h PRO 59 N 6.02 0.84 0.00 0.00 0.11 -1.92 -2.22 132.00 134.83 2waq h PRO 59 Ca -0.43 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2waq h PRO 59 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2waq h PRO 59 CO 0.75 0.65 0.00 0.00 -0.21 0.00 0.00 178.00 179.19 2waq h THR 60 N 0.81 0.00 0.00 -1.15 1.03 -1.94 -3.45 112.91 108.21 2waq h THR 60 Ca 0.21 -0.64 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 2waq h THR 60 Cb 0.06 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 2waq h THR 60 CO -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.48 2waq n GLY 62 N 0.00 -0.16 3.26 0.00 0.00 -0.85 -4.74 105.19 102.69 2waq n GLY 62 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2waq n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waq s ASN 63 N 0.00 3.87 0.60 1.61 0.02 -1.26 -4.68 114.94 115.11 2waq s ASN 63 Ca 0.00 -0.47 -0.20 0.00 -1.02 0.00 0.00 52.86 51.17 2waq s ASN 63 Cb 0.00 -1.64 -0.03 0.00 0.02 0.00 0.00 41.25 39.61 2waq s ASN 63 CO 0.00 0.01 1.33 -0.89 0.02 0.00 0.00 177.10 177.57 2waq s THR 64 N 1.26 2.03 0.07 1.60 2.01 -1.26 -4.18 115.64 117.17 2waq s THR 64 Ca 0.03 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2waq s THR 64 Cb -0.14 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2waq s THR 64 CO -0.05 -0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.06 2waq n LEU 65 N -1.51 0.00 0.00 4.42 4.77 -1.24 -3.82 117.00 119.62 2waq n LEU 65 Ca 0.13 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2waq n LEU 65 Cb 0.47 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2waq n LEU 65 CO 0.50 -1.51 0.23 0.61 -1.33 0.00 0.00 177.39 175.89 2waq n GLY 66 N -0.91 -0.41 1.14 -0.72 0.00 -1.26 -3.58 105.19 99.44 2waq n GLY 66 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2waq n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2waq n ASN 67 N -0.53 2.81 -3.13 1.61 5.15 -1.25 -4.20 115.26 115.72 2waq n ASN 67 Ca 0.01 -2.38 -0.18 0.00 -0.60 0.00 0.00 54.58 51.43 2waq n ASN 67 Cb 0.00 -0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 38.65 2waq n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2waq s PRO 69 N -1.79 3.40 0.00 0.00 0.04 -1.26 -4.31 135.00 131.08 2waq s PRO 69 Ca 0.37 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2waq s PRO 69 Cb 0.30 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2waq s PRO 69 CO -0.09 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2waq n GLY 70 N -1.81 0.35 2.81 0.56 0.00 -1.26 -5.06 105.19 100.79 2waq n GLY 70 Ca -0.04 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 2waq n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2waq s HIS 71 N -0.25 -0.21 -0.14 1.61 3.76 -1.26 -5.00 115.29 113.81 2waq s HIS 71 Ca 0.00 0.46 -0.20 0.00 -0.15 0.00 0.00 55.06 55.17 2waq s HIS 71 Cb 0.00 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 2waq s HIS 71 CO 0.00 -0.40 0.57 -0.06 -0.85 0.00 0.00 174.74 173.99 2waq s PHE 72 N 2.31 3.48 0.68 1.40 0.40 -1.26 -3.76 117.98 121.23 2waq s PHE 72 Ca 0.04 0.96 -0.04 0.00 -0.60 0.00 0.00 56.93 57.29 2waq s PHE 72 Cb -0.13 -2.68 0.08 0.00 0.51 0.00 0.00 43.02 40.79 2waq s PHE 72 CO -0.08 0.04 0.97 0.20 0.70 0.00 0.00 175.22 177.04 2waq s GLY 73 N 0.87 1.75 0.00 4.36 0.00 0.08 -3.30 107.32 111.07 2waq s GLY 73 Ca 0.29 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 2waq s GLY 73 CO 0.12 -0.77 0.05 0.30 0.00 0.00 0.00 173.10 172.80 2waq s HIS 74 N -3.15 0.11 -0.09 1.90 0.09 -1.14 0.16 115.29 113.17 2waq s HIS 74 Ca 0.61 -0.23 0.03 0.00 -0.00 0.00 0.00 55.06 55.48 2waq s HIS 74 Cb -0.09 -0.09 0.01 0.00 -0.00 0.00 0.00 32.58 32.40 2waq s HIS 74 CO 0.44 -0.19 -0.19 0.42 -0.00 0.00 0.00 174.74 175.22 2waq s ILE 75 N -1.09 1.68 -0.44 0.60 1.01 -0.18 -1.84 121.20 120.95 2waq s ILE 75 Ca -0.12 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 2waq s ILE 75 Cb -0.07 -1.48 0.04 0.00 0.01 0.00 0.00 42.46 40.97 2waq s ILE 75 CO 0.00 0.48 0.35 -1.61 0.00 0.00 0.00 174.94 174.15 2waq s GLU 76 N 0.48 2.98 -0.28 2.79 2.02 -1.26 -1.22 118.70 124.19 2waq s GLU 76 Ca -0.17 -1.14 -0.28 0.00 0.02 0.00 0.00 54.97 53.39 2waq s GLU 76 Cb -0.17 -4.04 0.01 0.00 0.10 0.00 0.00 34.13 30.03 2waq s GLU 76 CO 0.07 -0.87 1.02 -0.51 0.02 0.00 0.00 175.26 174.99 2waq s LEU 77 N 1.69 4.01 -0.46 1.80 2.01 0.17 -5.01 118.68 122.89 2waq s LEU 77 Ca 0.05 1.12 -0.25 0.00 0.01 0.00 0.00 54.13 55.05 2waq s LEU 77 Cb -0.21 -3.47 0.03 0.00 0.01 0.00 0.00 46.19 42.54 2waq s LEU 77 CO 0.09 -0.77 0.93 0.54 1.01 0.00 0.00 176.35 178.15 2waq s VAL 78 N 3.39 4.47 0.00 -1.59 0.11 -1.26 -4.40 120.40 121.12 2waq s VAL 78 Ca 0.43 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 2waq s VAL 78 Cb -0.13 -4.43 0.00 0.00 -1.53 0.00 0.00 36.38 30.28 2waq s VAL 78 CO 0.12 -0.83 0.00 0.54 -3.33 0.00 0.00 175.10 171.59 2waq n ARG 79 N 7.16 0.00 -1.43 1.54 3.00 -1.26 -4.94 116.66 120.73 2waq n ARG 79 Ca 0.06 0.34 -0.38 0.00 -0.01 0.00 0.00 57.85 57.86 2waq n ARG 79 Cb 0.48 -0.67 0.04 0.00 0.00 0.00 0.00 32.46 32.32 2waq n ARG 79 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2waq n PRO 80 N 0.18 0.47 -5.16 5.56 -0.02 -1.26 -4.99 135.00 129.78 2waq n PRO 80 Ca 0.00 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 2waq n PRO 80 Cb 0.00 -1.72 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 2waq n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2waq s VAL 81 N -1.75 1.91 0.24 -1.45 1.01 -1.01 -4.49 120.40 114.86 2waq s VAL 81 Ca 0.68 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2waq s VAL 81 Cb -0.42 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 2waq s VAL 81 CO 0.55 0.53 1.19 -0.63 0.00 0.00 0.00 175.10 176.74 2waq s ILE 82 N -0.08 3.39 -0.40 2.22 1.01 -1.26 -1.12 121.20 124.97 2waq s ILE 82 Ca -0.05 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.62 2waq s ILE 82 Cb -0.14 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2waq s ILE 82 CO 0.04 0.25 0.93 -2.28 0.00 0.00 0.00 174.94 173.88 2waq s HIS 83 N -0.58 3.02 0.47 3.97 5.65 -1.21 -4.80 115.29 121.81 2waq s HIS 83 Ca 0.50 0.63 0.15 0.00 0.25 0.00 0.00 55.06 56.59 2waq s HIS 83 Cb -0.34 -3.77 1.12 0.00 -1.18 0.00 0.00 32.58 28.42 2waq s HIS 83 CO 0.41 -0.93 2.05 -0.39 -0.65 0.00 0.00 174.74 175.23 2waq h VAL 84 N 5.92 0.95 0.00 0.89 -1.51 -1.92 0.11 116.25 120.69 2waq h VAL 84 Ca -0.23 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2waq h VAL 84 Cb 1.08 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2waq h VAL 84 CO 1.00 0.05 0.00 1.23 -1.23 0.00 0.00 177.57 178.61 2waq h GLY 85 N 0.25 0.00 -0.74 5.19 0.00 -1.97 -2.69 103.07 103.12 2waq h GLY 85 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2waq h GLY 85 CO -0.03 0.00 -0.17 0.69 0.00 0.00 0.00 176.54 177.03 2waq n PHE 86 N -2.68 0.00 0.32 5.60 3.72 -0.04 -4.70 117.46 119.67 2waq n PHE 86 Ca 0.01 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.62 2waq n PHE 86 Cb 0.24 0.00 1.07 0.00 -0.94 0.00 0.00 39.48 39.85 2waq n PHE 86 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2waq h VAL 87 N 1.80 0.01 0.00 -4.37 3.04 -1.01 0.36 116.25 116.08 2waq h VAL 87 Ca 0.00 -0.15 -0.08 0.00 -1.01 0.00 0.00 66.70 65.47 2waq h VAL 87 Cb 0.47 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2waq h VAL 87 CO 0.00 0.00 -0.59 0.07 -1.01 0.00 0.00 177.57 176.04 2waq h LYS 88 N 0.00 0.00 0.14 4.17 -0.00 -1.84 -3.01 116.57 116.02 2waq h LYS 88 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.65 60.33 2waq h LYS 88 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.37 2waq h LYS 88 CO 0.00 0.28 -1.61 0.45 -0.00 0.00 0.00 179.45 178.56 2waq h HIS 89 N 0.00 0.52 -0.48 0.07 3.86 -0.79 -3.31 115.15 115.02 2waq h HIS 89 Ca -0.03 -0.38 -0.07 0.00 -1.16 0.00 0.00 60.37 58.73 2waq h HIS 89 Cb 1.27 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 2waq h HIS 89 CO 0.00 1.47 0.02 0.28 0.86 0.00 0.00 177.93 180.56 2waq h VAL 90 N 0.08 1.26 -0.17 2.45 2.07 -0.70 -2.86 116.25 118.38 2waq h VAL 90 Ca -0.28 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 2waq h VAL 90 Cb 2.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2waq h VAL 90 CO 0.16 0.36 -0.15 0.22 0.02 0.00 0.00 177.57 178.18 2waq h TYR 91 N 0.70 0.29 -0.47 1.57 5.03 -1.70 -2.46 116.97 119.94 2waq h TYR 91 Ca 0.14 -0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.34 2waq h TYR 91 Cb 0.48 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 2waq h TYR 91 CO 0.04 0.42 -0.03 0.93 -1.32 0.00 0.00 178.16 178.20 2waq h GLU 92 N 0.26 0.79 -0.78 1.82 5.08 -1.60 -2.50 114.58 117.64 2waq h GLU 92 Ca 0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2waq h GLU 92 Cb 0.42 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2waq h GLU 92 CO 0.03 0.81 0.45 0.74 -1.00 0.00 0.00 179.01 180.03 2waq h PHE 93 N 0.73 1.06 0.00 4.33 -1.00 -1.23 -2.45 116.94 118.37 2waq h PHE 93 Ca 0.14 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.87 2waq h PHE 93 Cb 0.48 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 2waq h PHE 93 CO 0.03 0.73 -0.15 -0.07 -1.61 0.00 0.00 178.31 177.23 2waq h LEU 94 N 1.08 0.00 -0.92 1.54 3.38 -1.31 -2.05 115.31 117.03 2waq h LEU 94 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2waq h LEU 94 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2waq h LEU 94 CO -0.05 0.15 -0.12 0.11 0.09 0.00 0.00 178.44 178.62 2waq h LYS 95 N 0.00 0.00 -1.51 1.13 1.57 -0.99 -3.33 116.57 113.44 2waq h LYS 95 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.27 2waq h LYS 95 Cb 0.59 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.49 2waq h LYS 95 CO 0.02 0.12 -0.92 0.00 -0.57 0.00 0.00 179.45 178.10 2waq n ALA 96 N -2.15 4.16 -3.50 3.86 0.00 -0.79 -4.07 120.51 118.03 2waq n ALA 96 Ca 0.01 -3.90 -0.13 0.00 0.00 0.00 0.00 53.44 49.42 2waq n ALA 96 Cb 0.43 -0.74 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 2waq n ALA 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2waq s THR 97 N -4.28 -0.03 -0.02 0.00 2.01 -1.12 -3.69 115.64 108.50 2waq s THR 97 Ca 0.40 0.13 0.26 0.00 0.31 0.00 0.00 61.69 62.79 2waq s THR 97 Cb 0.40 -0.20 0.26 0.00 0.01 0.00 0.00 72.50 72.97 2waq s THR 97 CO -0.10 0.05 1.79 0.00 -0.69 0.00 0.00 174.62 175.67 2waq n ARG 99 N -2.41 0.00 0.00 0.00 1.74 -1.26 -4.33 116.66 110.40 2waq n ARG 99 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2waq n ARG 99 Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 2waq n ARG 99 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2waq n ARG 100 N 0.00 5.83 0.00 5.56 1.74 -1.26 -4.88 116.66 123.64 2waq n ARG 100 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2waq n ARG 100 Cb 0.00 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2waq n ARG 100 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2waq n GLY 102 N 2.74 2.62 5.00 0.00 0.00 -1.26 -4.33 105.19 109.96 2waq n GLY 102 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2waq n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2waq n ARG 103 N 0.00 0.00 -3.40 1.61 1.85 -1.24 -2.55 116.66 112.92 2waq n ARG 103 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2waq n ARG 103 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2waq n ARG 103 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2waq n VAL 104 N 0.00 -7.25 -3.40 8.89 0.31 -1.26 -4.65 118.33 110.97 2waq n VAL 104 Ca 0.00 -0.32 -0.01 0.00 -0.01 0.00 0.00 64.34 63.99 2waq n VAL 104 Cb 0.00 -5.22 -0.00 0.00 -0.91 0.00 0.00 33.84 27.71 2waq n VAL 104 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2waq n LYS 105 N -2.48 0.10 0.00 5.55 4.76 -1.26 -4.59 118.16 120.24 2waq n LYS 105 Ca -0.12 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.02 2waq n LYS 105 Cb 0.58 0.32 0.00 0.00 -1.84 0.00 0.00 35.03 34.09 2waq n LYS 105 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2waq n ILE 106 N -0.06 0.00 -0.91 -0.18 2.08 -1.26 -3.81 119.36 115.22 2waq n ILE 106 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2waq n ILE 106 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 2waq n ILE 106 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2waq n SER 107 N 0.00 0.23 -0.63 4.38 7.64 -1.26 -4.70 113.62 119.28 2waq n SER 107 Ca 0.00 -1.14 0.03 0.00 1.01 0.00 0.00 58.87 58.77 2waq n SER 107 Cb 0.00 -0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.30 2waq n SER 107 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2waq n GLU 108 N -0.06 1.79 -0.04 1.43 1.02 -1.26 -3.92 120.64 119.60 2waq n GLU 108 Ca 0.00 -0.85 -0.11 0.00 -0.02 0.00 0.00 57.16 56.18 2waq n GLU 108 Cb 0.48 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 2waq n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2waq h ASP 109 N 1.23 0.22 -0.82 1.62 5.19 -1.90 -1.11 116.42 120.85 2waq h ASP 109 Ca 0.00 -0.20 0.05 0.00 -0.62 0.00 0.00 57.03 56.26 2waq h ASP 109 Cb 0.58 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.97 2waq h ASP 109 CO 0.06 0.36 0.51 -0.33 -3.12 0.00 0.00 179.24 176.72 2waq h GLU 110 N 0.06 0.93 0.00 3.56 5.08 -1.97 -0.52 114.58 121.72 2waq h GLU 110 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2waq h GLU 110 Cb 0.22 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2waq h GLU 110 CO -0.00 0.61 -0.05 0.82 -1.00 0.00 0.00 179.01 179.39 2waq h ILE 111 N 0.96 1.03 -1.37 3.13 1.08 -1.74 -2.48 117.51 118.11 2waq h ILE 111 Ca 0.34 -0.18 -0.62 0.00 -0.39 0.00 0.00 64.86 64.02 2waq h ILE 111 Cb 0.10 1.10 -0.38 0.00 -3.07 0.00 0.00 36.82 34.56 2waq h ILE 111 CO -0.15 0.05 -0.29 -0.62 -0.69 0.00 0.00 178.15 176.45 2waq n GLU 112 N -4.46 3.29 0.00 2.37 1.02 -0.34 -4.55 120.64 117.97 2waq n GLU 112 Ca -0.03 -4.14 0.00 0.00 -0.02 0.00 0.00 57.16 52.97 2waq n GLU 112 Cb 0.13 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 2waq n GLU 112 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2waq n LYS 113 N -0.59 2.13 0.12 3.49 5.02 -0.41 -4.36 118.16 123.56 2waq n LYS 113 Ca 0.45 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.72 2waq n LYS 113 Cb 0.66 -0.80 0.08 0.00 -0.02 0.00 0.00 35.03 34.95 2waq n LYS 113 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2waq h TYR 114 N 0.00 0.00 -0.00 2.13 0.05 -1.80 0.16 116.97 117.51 2waq h TYR 114 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2waq h TYR 114 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2waq h TYR 114 CO 0.00 0.70 -0.21 -1.13 -1.05 0.00 0.00 178.16 176.47 2waq n SER 115 N -3.57 0.35 -0.12 3.88 3.41 -1.26 -1.99 113.62 114.32 2waq n SER 115 Ca -0.00 -0.14 -0.26 0.00 -0.26 0.00 0.00 58.87 58.21 2waq n SER 115 Cb 0.72 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 2waq n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2waq n ARG 116 N -1.30 0.58 -0.07 4.33 0.63 -1.02 -4.40 116.66 115.41 2waq n ARG 116 Ca 0.09 0.42 -0.19 0.00 -0.92 0.00 0.00 57.85 57.25 2waq n ARG 116 Cb 0.32 -1.62 -0.12 0.00 0.45 0.00 0.00 32.46 31.48 2waq n ARG 116 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2waq h ILE 117 N -1.00 1.22 -1.49 5.15 1.08 -0.84 -3.39 117.51 118.23 2waq h ILE 117 Ca -0.52 -2.28 -0.65 0.00 -0.39 0.00 0.00 64.86 61.02 2waq h ILE 117 Cb 1.45 2.69 -0.24 0.00 -3.07 0.00 0.00 36.82 37.65 2waq h ILE 117 CO -0.31 0.49 0.82 -1.22 -0.69 0.00 0.00 178.15 177.23 2waq n TYR 118 N -4.38 2.55 -3.37 1.37 4.01 -0.84 -4.65 117.16 111.85 2waq n TYR 118 Ca -0.24 -2.31 -0.26 0.00 -0.16 0.00 0.00 57.90 54.94 2waq n TYR 118 Cb 0.66 -1.27 -0.09 0.00 -0.31 0.00 0.00 39.34 38.34 2waq n TYR 118 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2waq n ASN 119 N -0.16 0.56 -0.02 7.72 5.03 -1.25 -4.74 115.26 122.39 2waq n ASN 119 Ca 0.52 -2.69 0.06 0.00 0.87 0.00 0.00 54.58 53.34 2waq n ASN 119 Cb 0.41 -0.62 -0.14 0.00 -1.02 0.00 0.00 39.78 38.40 2waq n ASN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2waq n ALA 120 N 2.01 2.47 0.18 5.41 0.00 -1.26 -4.57 120.51 124.75 2waq n ALA 120 Ca 0.26 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 2waq n ALA 120 Cb 0.48 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 2waq n ALA 120 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2waq h ILE 121 N 0.00 0.55 -3.04 0.00 1.08 -1.99 -3.44 117.51 110.67 2waq h ILE 121 Ca -0.09 -0.61 -0.60 0.00 -0.39 0.00 0.00 64.86 63.16 2waq h ILE 121 Cb 1.10 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.62 2waq h ILE 121 CO 0.01 0.10 -0.30 -0.54 -0.69 0.00 0.00 178.15 176.73 2waq s LYS 122 N -4.43 3.69 0.00 2.37 3.01 -1.26 -4.98 119.74 118.14 2waq s LYS 122 Ca -0.14 0.07 0.00 0.00 -1.01 0.00 0.00 55.97 54.90 2waq s LYS 122 Cb 0.02 -3.02 0.00 0.00 -1.01 0.00 0.00 37.83 33.82 2waq s LYS 122 CO 0.50 0.59 0.05 1.63 0.51 0.00 0.00 175.35 178.63 2waq n LYS 123 N 0.94 0.15 0.11 1.68 5.02 -1.26 -4.74 118.16 120.06 2waq n LYS 123 Ca -0.09 -0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2waq n LYS 123 Cb 0.52 -0.45 0.01 0.00 -0.02 0.00 0.00 35.03 35.10 2waq n LYS 123 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2waq h ARG 124 N 0.00 0.00 0.00 1.97 2.43 -1.99 -3.40 114.38 113.39 2waq h ARG 124 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2waq h ARG 124 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2waq h ARG 124 CO 0.00 0.14 0.00 0.91 -1.51 0.00 0.00 179.97 179.51 2waq n TRP 125 N -2.88 0.00 0.24 2.20 8.01 -1.26 -4.58 117.44 119.17 2waq n TRP 125 Ca -0.02 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.28 2waq n TRP 125 Cb 0.65 0.00 0.60 0.00 -2.01 0.00 0.00 31.31 30.55 2waq n TRP 125 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2waq h PRO 126 N 0.00 0.00 -0.25 -0.99 0.13 -1.85 -0.92 132.00 128.12 2waq h PRO 126 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2waq h PRO 126 Cb 0.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 2waq h PRO 126 CO 0.00 0.18 -0.35 0.66 -0.23 0.00 0.00 178.00 178.26 2waq h SER 127 N 0.00 0.57 -0.13 1.44 4.64 -1.84 0.17 113.55 118.40 2waq h SER 127 Ca -0.00 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 60.99 2waq h SER 127 Cb 0.51 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2waq h SER 127 CO 0.02 0.87 -0.23 0.00 -0.87 0.00 0.00 176.83 176.62 2waq h ALA 128 N 1.16 1.04 0.00 5.18 0.00 -1.70 -2.23 119.26 122.72 2waq h ALA 128 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2waq h ALA 128 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2waq h ALA 128 CO 0.07 0.58 -0.17 0.00 0.00 0.00 0.00 179.25 179.72 2waq h ALA 129 N 1.25 1.05 -0.10 0.00 0.00 -0.85 0.41 119.26 121.02 2waq h ALA 129 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2waq h ALA 129 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2waq h ALA 129 CO 0.05 0.21 0.00 0.54 0.00 0.00 0.00 179.25 180.06 2waq n ARG 130 N -3.38 1.35 0.00 0.00 1.74 0.02 -3.80 116.66 112.59 2waq n ARG 130 Ca -0.00 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.55 2waq n ARG 130 Cb 0.38 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2waq n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2waq n ARG 131 N -0.20 2.82 0.00 5.56 1.74 -0.45 -4.49 116.66 121.64 2waq n ARG 131 Ca 0.12 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.25 2waq n ARG 131 Cb 0.17 -0.88 0.23 0.00 -1.02 0.00 0.00 32.46 30.96 2waq n ARG 131 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2waq n LEU 132 N -1.70 0.00 0.02 0.55 4.32 0.13 -1.33 117.00 118.98 2waq n LEU 132 Ca 0.00 0.37 -0.22 0.00 -0.02 0.00 0.00 56.01 56.15 2waq n LEU 132 Cb 0.38 -0.37 -0.14 0.00 -1.62 0.00 0.00 43.42 41.67 2waq n LEU 132 CO 0.00 -0.25 -0.71 0.74 -1.22 0.00 0.00 177.39 175.94 2waq h THR 133 N 0.00 0.73 0.00 -5.08 2.02 -1.81 -3.39 112.91 105.38 2waq h THR 133 Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2waq h THR 133 Cb 0.12 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2waq h THR 133 CO 0.00 0.85 0.00 -0.33 0.37 0.00 0.00 175.52 176.41 2waq h GLU 134 N 0.00 0.00 -0.33 6.66 5.08 -1.43 -2.88 114.58 121.68 2waq h GLU 134 Ca -0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2waq h GLU 134 Cb 2.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 2waq h GLU 134 CO 0.09 0.00 0.20 1.88 -1.00 0.00 0.00 179.01 180.18 2waq h TYR 135 N 0.00 0.44 0.00 4.33 0.05 -1.72 -1.99 116.97 118.08 2waq h TYR 135 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2waq h TYR 135 Cb 0.31 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2waq h TYR 135 CO 0.00 0.33 -0.13 -0.24 -1.05 0.00 0.00 178.16 177.07 2waq h VAL 136 N 0.43 0.07 -0.34 -2.88 3.04 -1.77 -3.14 116.25 111.65 2waq h VAL 136 Ca 0.12 -1.09 -0.12 0.00 -1.01 0.00 0.00 66.70 64.60 2waq h VAL 136 Cb 0.02 1.99 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 2waq h VAL 136 CO -0.02 0.04 -0.26 0.11 -1.01 0.00 0.00 177.57 176.42 2waq h LYS 137 N 0.00 0.69 0.00 4.17 1.57 -1.29 -2.33 116.57 119.38 2waq h LYS 137 Ca -0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2waq h LYS 137 Cb 1.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2waq h LYS 137 CO 0.00 0.88 0.00 1.63 -0.57 0.00 0.00 179.45 181.39 2waq n LYS 138 N -4.10 0.06 -2.45 3.15 5.02 -0.77 -3.87 118.16 115.21 2waq n LYS 138 Ca -0.00 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 2waq n LYS 138 Cb 0.44 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2waq n LYS 138 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2waq n THR 139 N -1.69 2.18 -3.88 -0.18 -1.04 -0.90 -5.02 114.28 103.75 2waq n THR 139 Ca 0.07 -4.56 -0.15 0.00 -2.04 0.00 0.00 64.05 57.37 2waq n THR 139 Cb 0.36 -0.94 -0.15 0.00 -1.82 0.00 0.00 70.33 67.77 2waq n THR 139 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2waq s ALA 140 N -3.50 0.17 -0.56 2.41 0.00 -1.04 -4.89 121.76 114.35 2waq s ALA 140 Ca 0.45 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.62 2waq s ALA 140 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2waq s ALA 140 CO -0.13 -0.05 0.48 -0.12 0.00 0.00 0.00 175.76 175.94 2waq n MET 141 N 3.78 2.62 0.05 0.00 1.56 -1.26 -4.83 117.12 119.05 2waq n MET 141 Ca -0.22 -0.43 0.00 0.00 -0.27 0.00 0.00 57.70 56.78 2waq n MET 141 Cb 0.53 -0.95 0.00 0.00 2.15 0.00 0.00 33.22 34.95 2waq n MET 141 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2waq n LYS 142 N -0.42 0.00 0.00 2.12 5.02 -1.26 -3.36 118.16 120.26 2waq n LYS 142 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2waq n LYS 142 Cb 0.13 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 2waq n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2waq n ALA 143 N -3.42 0.00 -0.08 7.82 0.00 -1.26 -2.63 120.51 120.93 2waq n ALA 143 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2waq n ALA 143 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 2waq n ALA 143 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2waq n GLN 144 N 0.00 0.48 -3.10 0.00 7.27 -1.25 -4.79 117.38 115.99 2waq n GLN 144 Ca 0.00 0.19 -0.11 0.00 0.07 0.00 0.00 57.00 57.15 2waq n GLN 144 Cb 0.00 -1.33 -0.04 0.00 2.41 0.00 0.00 30.24 31.28 2waq n GLN 144 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2waq s VAL 145 N -2.74 -0.55 -0.03 1.69 0.11 -1.22 -5.15 120.40 112.51 2waq s VAL 145 Ca -0.27 -1.25 0.05 0.00 -2.93 0.00 0.00 61.98 57.58 2waq s VAL 145 Cb 0.05 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2waq s VAL 145 CO 0.39 -0.41 -0.19 0.00 -3.33 0.00 0.00 175.10 171.56 2waq n PRO 147 N 2.80 4.88 -1.26 0.00 -0.04 -1.26 -4.72 135.00 135.39 2waq n PRO 147 Ca -0.16 -3.98 0.17 0.00 -0.04 0.00 0.00 63.50 59.48 2waq n PRO 147 Cb 0.53 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 2waq n PRO 147 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2waq n HIS 148 N 0.82 -3.20 -4.19 0.54 8.25 -1.21 -5.04 115.22 111.18 2waq n HIS 148 Ca 0.55 1.61 -0.15 0.00 -0.26 0.00 0.00 57.72 59.48 2waq n HIS 148 Cb 0.26 -2.90 -0.08 0.00 1.12 0.00 0.00 29.99 28.39 2waq n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2waq n GLY 150 N -0.45 1.42 0.00 0.00 0.00 -1.26 -5.15 105.19 99.75 2waq n GLY 150 Ca 0.03 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2waq n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2waq n GLU 151 N 0.00 0.00 -4.33 1.61 -0.58 -1.26 -5.13 120.64 110.95 2waq n GLU 151 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2waq n GLU 151 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 2waq n GLU 151 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2waq s LYS 152 N 1.73 1.80 0.13 3.49 0.00 -1.26 -4.92 119.74 120.70 2waq s LYS 152 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 55.97 54.70 2waq s LYS 152 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 37.83 35.74 2waq s LYS 152 CO 0.00 0.44 -0.10 -1.14 0.00 0.00 0.00 175.35 174.56 2waq s GLN 153 N -2.52 0.97 0.29 1.78 0.74 -1.26 -5.17 119.66 114.48 2waq s GLN 153 Ca 0.21 -1.36 0.03 0.00 0.05 0.00 0.00 55.36 54.29 2waq s GLN 153 Cb -0.09 -0.53 0.05 0.00 1.10 0.00 0.00 33.01 33.54 2waq s GLN 153 CO 0.12 0.06 0.39 1.97 -0.55 0.00 0.00 175.29 177.28 2waq n PHE 154 N 0.01 -2.87 -1.11 1.67 -1.74 -1.26 -5.07 117.46 107.10 2waq n PHE 154 Ca -0.12 -0.89 -0.35 0.00 -0.56 0.00 0.00 57.45 55.52 2waq n PHE 154 Cb 0.60 -0.28 0.00 0.00 1.52 0.00 0.00 39.48 41.32 2waq n PHE 154 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2waq n LYS 155 N -1.67 0.00 0.09 3.97 4.01 -1.26 -5.16 118.16 118.15 2waq n LYS 155 Ca 0.07 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.99 2waq n LYS 155 Cb 0.27 -0.87 0.10 0.00 -0.51 0.00 0.00 35.03 34.03 2waq n LYS 155 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 2waq h ILE 156 N 0.16 0.00 0.00 -0.18 3.07 -1.98 -3.54 117.51 115.04 2waq h ILE 156 Ca -0.33 -0.73 -0.06 0.00 1.55 0.00 0.00 64.86 65.28 2waq h ILE 156 Cb 1.25 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 39.11 2waq h ILE 156 CO 0.39 0.00 -0.33 -0.07 -1.05 0.00 0.00 178.15 177.09 2waq h LEU 175 N 0.00 0.00 -7.44 0.16 3.38 -2.01 -3.48 115.31 105.91 2waq h LEU 175 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2waq h LEU 175 Cb 0.87 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.24 2waq h LEU 175 CO 0.00 0.30 -0.76 -0.89 0.09 0.00 0.00 178.44 177.18 2waq s THR 176 N -3.06 0.25 0.33 0.22 2.01 -1.26 -5.05 115.64 109.07 2waq s THR 176 Ca 0.05 0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.36 2waq s THR 176 Cb 0.07 -0.43 0.32 0.00 0.01 0.00 0.00 72.50 72.47 2waq s THR 176 CO 0.72 0.24 1.70 -0.65 -0.69 0.00 0.00 174.62 175.93 2waq h PRO 177 N 8.30 0.45 0.00 4.92 0.11 -1.99 0.13 132.00 143.91 2waq h PRO 177 Ca -0.19 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 2waq h PRO 177 Cb 1.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2waq h PRO 177 CO 0.24 0.29 -0.19 0.66 -0.21 0.00 0.00 178.00 178.79 2waq h SER 178 N 0.46 0.00 0.80 -2.05 4.64 -1.95 -2.28 113.55 113.17 2waq h SER 178 Ca 0.68 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.79 2waq h SER 178 Cb 1.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.47 2waq h SER 178 CO -0.54 0.19 -1.30 0.44 -0.87 0.00 0.00 176.83 174.75 2waq h ASP 179 N 0.00 0.00 0.00 4.97 3.32 -1.21 -3.29 116.42 120.22 2waq h ASP 179 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2waq h ASP 179 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2waq h ASP 179 CO 0.03 0.82 -0.45 0.40 -1.72 0.00 0.00 179.24 178.31 2waq h ILE 180 N 0.00 1.31 -0.17 0.35 2.04 -0.95 -2.91 117.51 117.19 2waq h ILE 180 Ca -0.15 -1.65 -0.10 0.00 1.00 0.00 0.00 64.86 63.96 2waq h ILE 180 Cb 1.76 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2waq h ILE 180 CO 0.08 0.52 -0.34 -0.09 0.00 0.00 0.00 178.15 178.32 2waq h ARG 181 N 0.43 0.35 0.00 2.37 2.43 -1.56 -2.24 114.38 116.16 2waq h ARG 181 Ca 0.03 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2waq h ARG 181 Cb 0.96 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2waq h ARG 181 CO 0.09 0.65 -0.15 0.93 -1.51 0.00 0.00 179.97 179.98 2waq h GLU 182 N 0.30 0.00 0.00 0.20 5.08 -1.59 -2.16 114.58 116.41 2waq h GLU 182 Ca 0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2waq h GLU 182 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2waq h GLU 182 CO 0.06 0.15 -0.38 0.00 -1.00 0.00 0.00 179.01 177.84 2waq h ARG 183 N 0.00 0.00 0.00 2.33 3.08 -1.22 -3.36 114.38 115.21 2waq h ARG 183 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2waq h ARG 183 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2waq h ARG 183 CO 0.02 0.19 -0.90 1.28 -1.07 0.00 0.00 179.97 179.49 2waq n LEU 184 N -3.08 0.69 -1.28 3.04 4.77 -0.84 -3.87 117.00 116.43 2waq n LEU 184 Ca 0.02 -0.17 0.06 0.00 -0.03 0.00 0.00 56.01 55.90 2waq n LEU 184 Cb 0.62 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 2waq n LEU 184 CO 0.38 0.13 0.70 1.21 -1.33 0.00 0.00 177.39 178.47 2waq n GLU 185 N -1.70 3.13 0.00 3.23 2.13 -1.06 -3.73 120.64 122.64 2waq n GLU 185 Ca 0.03 -2.10 0.07 0.00 0.66 0.00 0.00 57.16 55.83 2waq n GLU 185 Cb 0.38 -1.78 -0.07 0.00 0.27 0.00 0.00 31.44 30.24 2waq n GLU 185 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2waq n LYS 186 N 0.70 2.17 -3.26 5.31 5.02 -1.25 -4.92 118.16 121.93 2waq n LYS 186 Ca 0.19 -0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2waq n LYS 186 Cb 0.72 -1.19 -0.08 0.00 -0.02 0.00 0.00 35.03 34.47 2waq n LYS 186 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2waq s VAL 187 N -2.25 5.02 0.42 -0.18 -7.23 -1.24 -4.54 120.40 110.39 2waq s VAL 187 Ca 0.07 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.22 2waq s VAL 187 Cb 0.11 -4.02 0.10 0.00 0.56 0.00 0.00 36.38 33.14 2waq s VAL 187 CO 0.55 -0.34 0.40 -0.81 -0.31 0.00 0.00 175.10 174.59 2waq n PRO 188 N 5.76 -1.57 -0.05 4.82 -0.04 -1.26 -4.85 135.00 137.81 2waq n PRO 188 Ca -0.05 -0.64 -0.01 0.00 -0.04 0.00 0.00 63.50 62.76 2waq n PRO 188 Cb 0.48 -0.57 0.26 0.00 -0.04 0.00 0.00 33.50 33.63 2waq n PRO 188 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2waq h GLU 189 N 0.00 0.65 -0.24 0.54 5.08 -1.98 -2.84 114.58 115.79 2waq h GLU 189 Ca -0.15 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 2waq h GLU 189 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2waq h GLU 189 CO 0.10 0.63 -0.44 0.66 -1.00 0.00 0.00 179.01 178.95 2waq h SER 190 N 0.62 0.64 -0.54 1.42 4.64 -2.00 -3.13 113.55 115.20 2waq h SER 190 Ca 0.14 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2waq h SER 190 Cb 0.30 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2waq h SER 190 CO 0.00 0.99 0.13 0.44 -0.87 0.00 0.00 176.83 177.52 2waq h ASP 191 N 0.48 0.82 -0.05 4.97 5.19 -1.85 -2.87 116.42 123.11 2waq h ASP 191 Ca 0.03 -0.24 -0.14 0.00 -0.62 0.00 0.00 57.03 56.07 2waq h ASP 191 Cb 0.96 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 2waq h ASP 191 CO 0.09 0.84 -0.44 -0.37 -3.12 0.00 0.00 179.24 176.25 2waq h VAL 192 N 0.76 1.30 -0.36 -1.35 -1.51 -1.61 -3.26 116.25 110.21 2waq h VAL 192 Ca 0.17 -1.62 -0.10 0.00 -1.23 0.00 0.00 66.70 63.91 2waq h VAL 192 Cb 0.35 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 2waq h VAL 192 CO 0.00 0.51 -0.20 -0.33 -1.23 0.00 0.00 177.57 176.32 2waq h GLU 193 N 0.48 0.69 -0.24 5.19 5.08 -1.47 -1.21 114.58 123.11 2waq h GLU 193 Ca 0.03 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 2waq h GLU 193 Cb 0.95 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2waq h GLU 193 CO 0.09 0.84 -0.37 0.82 -1.00 0.00 0.00 179.01 179.39 2waq h ILE 194 N 0.61 1.29 -0.43 3.13 2.04 -1.58 -3.04 117.51 119.54 2waq h ILE 194 Ca 0.09 -1.50 -0.15 0.00 1.00 0.00 0.00 64.86 64.30 2waq h ILE 194 Cb 0.68 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2waq h ILE 194 CO 0.05 0.47 -0.32 -0.07 0.00 0.00 0.00 178.15 178.29 2waq h LEU 195 N 0.44 1.02 0.00 1.44 3.38 -1.57 -3.41 115.31 116.61 2waq h LEU 195 Ca 0.04 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2waq h LEU 195 Cb 0.84 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2waq h LEU 195 CO 0.07 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2waq n GLY 196 N 0.03 0.85 3.18 0.83 0.00 -0.82 -4.63 105.19 104.62 2waq n GLY 196 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2waq n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2waq s TYR 197 N -0.46 1.00 -0.01 1.61 2.02 -0.52 -5.02 117.35 115.99 2waq s TYR 197 Ca 0.00 -1.30 -0.14 0.00 -0.37 0.00 0.00 57.07 55.26 2waq s TYR 197 Cb 0.00 -0.51 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 2waq s TYR 197 CO 0.00 -0.58 0.39 0.34 -1.57 0.00 0.00 175.55 174.13 2waq s ASP 198 N -3.10 6.78 0.05 2.29 -1.08 -1.26 -3.74 116.67 116.61 2waq s ASP 198 Ca 0.31 0.92 0.24 0.00 -0.52 0.00 0.00 52.55 53.51 2waq s ASP 198 Cb 0.07 -2.24 0.27 0.00 -1.46 0.00 0.00 42.92 39.56 2waq s ASP 198 CO 0.07 0.33 1.23 -0.81 0.52 0.00 0.00 175.17 176.51 2waq n PRO 199 N 1.82 0.19 -0.02 4.34 -0.04 -1.25 -4.30 135.00 135.73 2waq n PRO 199 Ca -0.14 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 2waq n PRO 199 Cb 0.53 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 2waq n PRO 199 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2waq n THR 200 N -1.85 1.02 0.19 0.52 -1.04 -1.26 -4.73 114.28 107.13 2waq n THR 200 Ca 0.03 0.26 0.05 0.00 -2.04 0.00 0.00 64.05 62.36 2waq n THR 200 Cb 0.40 -1.85 0.38 0.00 -1.82 0.00 0.00 70.33 67.44 2waq n THR 200 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2waq h THR 201 N -0.44 1.02 -3.97 12.58 2.02 -1.91 -3.44 112.91 118.77 2waq h THR 201 Ca 0.00 -1.39 -0.26 0.00 0.77 0.00 0.00 66.41 65.53 2waq h THR 201 Cb 0.44 1.81 -0.21 0.00 -1.74 0.00 0.00 68.15 68.45 2waq h THR 201 CO 0.00 0.36 -0.73 -0.94 0.37 0.00 0.00 175.52 174.58 2waq s SER 202 N -6.59 0.76 -0.04 4.18 1.04 -1.26 -2.45 113.70 109.34 2waq s SER 202 Ca -0.01 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 55.75 2waq s SER 202 Cb 0.12 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2waq s SER 202 CO 0.69 -0.22 0.27 -0.13 0.98 0.00 0.00 173.24 174.83 2waq s ARG 203 N -1.58 0.53 0.42 4.02 0.52 -1.26 -3.91 118.95 117.69 2waq s ARG 203 Ca -0.11 -0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.18 2waq s ARG 203 Cb -0.10 0.24 0.96 0.00 0.52 0.00 0.00 34.95 36.57 2waq s ARG 203 CO 0.00 -0.12 2.01 -1.00 0.02 0.00 0.00 175.30 176.20 2waq h PRO 204 N 4.54 0.46 0.00 3.54 0.13 -1.89 -1.54 132.00 137.24 2waq h PRO 204 Ca -0.29 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2waq h PRO 204 Cb 1.18 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2waq h PRO 204 CO 0.37 0.30 -0.22 0.93 -0.23 0.00 0.00 178.00 179.16 2waq h GLU 205 N 0.47 0.00 0.00 0.86 3.07 -1.91 -2.99 114.58 114.08 2waq h GLU 205 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2waq h GLU 205 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2waq h GLU 205 CO -0.06 0.22 -0.28 0.91 -1.40 0.00 0.00 179.01 178.40 2waq n TRP 206 N -3.95 0.31 -0.11 4.33 8.01 -0.58 -3.36 117.44 122.08 2waq n TRP 206 Ca -0.02 0.09 -0.10 0.00 -1.31 0.00 0.00 57.50 56.16 2waq n TRP 206 Cb 0.30 -0.56 -0.03 0.00 -2.01 0.00 0.00 31.31 29.02 2waq n TRP 206 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 2waq h MET 207 N 0.00 0.52 -6.21 -0.99 2.86 -1.54 -3.40 114.93 106.17 2waq h MET 207 Ca 0.00 -0.14 -0.56 0.00 -2.06 0.00 0.00 59.70 56.94 2waq h MET 207 Cb 0.60 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2waq h MET 207 CO 0.00 0.60 0.74 0.42 1.06 0.00 0.00 176.91 179.74 2waq s ILE 208 N -5.21 4.47 0.06 -1.22 1.01 -1.21 -3.31 121.20 115.78 2waq s ILE 208 Ca -0.13 1.77 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 2waq s ILE 208 Cb 0.09 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 2waq s ILE 208 CO 0.75 -0.07 0.42 -0.76 0.00 0.00 0.00 174.94 175.29 2waq s LEU 209 N 2.69 4.40 0.00 2.97 1.43 -0.27 -4.90 118.68 125.00 2waq s LEU 209 Ca 0.51 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2waq s LEU 209 Cb -0.20 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.16 2waq s LEU 209 CO 0.16 0.23 0.00 0.41 0.23 0.00 0.00 176.35 177.38 2waq n THR 210 N 1.27 0.00 -4.36 5.49 -1.04 -1.26 -2.39 114.28 111.99 2waq n THR 210 Ca -0.10 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.63 2waq n THR 210 Cb 0.52 -0.81 -0.17 0.00 -1.82 0.00 0.00 70.33 68.05 2waq n THR 210 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2waq s VAL 211 N -2.00 1.41 -0.23 12.58 1.01 -1.26 -0.66 120.40 131.25 2waq s VAL 211 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2waq s VAL 211 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2waq s VAL 211 CO 0.00 0.42 0.02 -0.22 0.00 0.00 0.00 175.10 175.33 2waq s LEU 212 N 1.09 3.23 -0.20 3.92 0.20 -0.36 -4.86 118.68 121.71 2waq s LEU 212 Ca -0.05 -0.27 -0.27 0.00 0.69 0.00 0.00 54.13 54.23 2waq s LEU 212 Cb -0.14 -1.85 -0.00 0.00 -0.43 0.00 0.00 46.19 43.76 2waq s LEU 212 CO -0.03 -0.01 0.94 -2.16 -0.29 0.00 0.00 176.35 174.79 2waq s PRO 213 N 1.47 4.27 -0.06 0.98 0.04 -1.26 -1.01 135.00 139.44 2waq s PRO 213 Ca 0.05 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 2waq s PRO 213 Cb -0.15 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2waq s PRO 213 CO 0.01 -0.49 1.38 0.08 0.04 0.00 0.00 177.00 178.02 2waq s VAL 214 N 2.71 3.91 0.59 -0.36 1.01 0.41 -4.90 120.40 123.77 2waq s VAL 214 Ca 0.41 1.21 -0.20 0.00 0.00 0.00 0.00 61.98 63.41 2waq s VAL 214 Cb -0.16 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2waq s VAL 214 CO 0.09 -0.04 1.28 -2.16 0.00 0.00 0.00 175.10 174.27 2waq s PRO 215 N 2.88 2.94 0.48 2.72 0.04 -1.26 -0.74 135.00 142.07 2waq s PRO 215 Ca 0.62 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.46 2waq s PRO 215 Cb -0.28 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2waq s PRO 215 CO 0.23 -1.28 0.97 -2.30 0.04 0.00 0.00 177.00 174.66 2waq n PRO 216 N -1.46 1.18 0.27 0.56 -0.02 -1.25 -4.69 135.00 129.60 2waq n PRO 216 Ca 0.13 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 2waq n PRO 216 Cb 0.48 -2.07 0.85 0.00 -0.02 0.00 0.00 33.50 32.74 2waq n PRO 216 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2waq h ILE 217 N 1.16 0.59 0.00 4.25 2.10 -1.68 -2.23 117.51 121.71 2waq h ILE 217 Ca -0.46 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.43 2waq h ILE 217 Cb 1.35 0.96 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 2waq h ILE 217 CO 0.54 0.00 -0.22 0.74 -1.08 0.00 0.00 178.15 178.13 2waq h THR 218 N 0.00 0.70 0.00 2.19 2.02 -1.90 -2.85 112.91 113.07 2waq h THR 218 Ca 0.02 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2waq h THR 218 Cb 0.12 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2waq h THR 218 CO -0.00 0.22 -0.43 0.40 0.37 0.00 0.00 175.52 176.07 2waq h ILE 219 N 0.00 0.00 -2.62 3.11 2.04 -1.76 -3.40 117.51 114.89 2waq h ILE 219 Ca -0.00 -0.74 -0.57 0.00 1.00 0.00 0.00 64.86 64.54 2waq h ILE 219 Cb 0.58 1.49 -0.39 0.00 -0.74 0.00 0.00 36.82 37.77 2waq h ILE 219 CO 0.03 0.00 -0.84 -0.13 0.00 0.00 0.00 178.15 177.21 2waq s ARG 220 N -3.21 0.49 0.43 2.37 3.00 -1.08 -5.09 118.95 115.86 2waq s ARG 220 Ca 0.06 -1.20 -0.00 0.00 0.00 0.00 0.00 55.73 54.59 2waq s ARG 220 Cb 0.10 -1.28 0.09 0.00 0.00 0.00 0.00 34.95 33.86 2waq s ARG 220 CO 0.70 -1.18 0.59 -0.35 0.00 0.00 0.00 175.30 175.06 2waq n PRO 221 N 4.24 0.18 -3.44 3.54 -0.04 -1.23 -4.83 135.00 133.41 2waq n PRO 221 Ca 0.09 -1.61 -0.29 0.00 -0.04 0.00 0.00 63.50 61.66 2waq n PRO 221 Cb 0.38 -0.40 -0.03 0.00 -0.04 0.00 0.00 33.50 33.41 2waq n PRO 221 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2waq s SER 222 N -3.41 6.44 0.03 3.54 0.01 -1.26 -4.59 113.70 114.46 2waq s SER 222 Ca 0.39 0.65 0.07 0.00 1.31 0.00 0.00 55.95 58.37 2waq s SER 222 Cb -0.02 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 2waq s SER 222 CO 0.26 -0.14 -0.21 0.27 0.41 0.00 0.00 173.24 173.83 2waq s ILE 223 N -2.00 1.70 -0.50 1.44 -0.00 0.14 -4.88 121.20 117.09 2waq s ILE 223 Ca 0.43 -1.13 -0.19 0.00 -0.00 0.00 0.00 60.65 59.75 2waq s ILE 223 Cb -0.11 -1.46 0.05 0.00 -0.00 0.00 0.00 42.46 40.95 2waq s ILE 223 CO 0.29 0.29 0.64 -0.04 -0.00 0.00 0.00 174.94 176.11 2waq s MET 224 N -1.00 3.14 -0.43 0.37 -1.94 -1.26 -2.74 119.30 115.45 2waq s MET 224 Ca 0.08 -0.82 -0.27 0.00 -1.71 0.00 0.00 55.69 52.96 2waq s MET 224 Cb -0.09 -4.08 -0.07 0.00 2.01 0.00 0.00 34.83 32.60 2waq s MET 224 CO 0.01 -1.21 2.36 0.00 -0.01 0.00 0.00 175.02 176.18 2waq n ALA 231 N 6.22 1.08 -3.68 3.03 0.00 -1.26 -5.20 120.51 120.69 2waq n ALA 231 Ca -0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 2waq n ALA 231 Cb 0.46 -3.05 -0.12 0.00 0.00 0.00 0.00 19.45 16.74 2waq n ALA 231 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2waq s GLU 232 N 7.64 0.26 0.31 0.00 2.56 -1.11 -5.14 118.70 123.23 2waq s GLU 232 Ca 1.01 0.80 0.04 0.00 0.00 0.00 0.00 54.97 56.82 2waq s GLU 232 Cb -0.31 0.05 -0.06 0.00 2.00 0.00 0.00 34.13 35.81 2waq s GLU 232 CO 0.31 -0.23 0.03 -0.51 -0.56 0.00 0.00 175.26 174.30 2waq s ASP 233 N 2.04 2.48 0.00 -1.70 1.11 -1.26 0.26 116.67 119.59 2waq s ASP 233 Ca -0.04 -1.33 0.00 0.00 0.18 0.00 0.00 52.55 51.36 2waq s ASP 233 Cb -0.11 -0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.77 2waq s ASP 233 CO -0.11 -0.54 0.00 -0.67 1.18 0.00 0.00 175.17 175.03 2waq n ASP 234 N -0.66 2.40 0.05 0.27 2.03 -1.26 -4.69 116.55 114.69 2waq n ASP 234 Ca -0.03 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.25 2waq n ASP 234 Cb 0.66 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.98 2waq n ASP 234 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2waq h LEU 235 N 0.00 0.00 -0.81 -2.67 6.46 -1.93 -3.34 115.31 113.02 2waq h LEU 235 Ca 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2waq h LEU 235 Cb 0.60 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 2waq h LEU 235 CO 0.00 0.75 0.32 0.74 -0.62 0.00 0.00 178.44 179.63 2waq h THR 236 N 0.00 1.26 -0.07 1.05 2.02 -1.90 -2.58 112.91 112.69 2waq h THR 236 Ca -0.13 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 2waq h THR 236 Cb 1.69 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2waq h THR 236 CO 0.07 0.34 0.04 -0.74 0.37 0.00 0.00 175.52 175.61 2waq h HIS 237 N 1.17 0.09 0.00 3.16 -0.00 -1.84 0.83 115.15 118.56 2waq h HIS 237 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2waq h HIS 237 Cb 0.22 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2waq h HIS 237 CO 0.02 0.09 0.00 1.57 -0.00 0.00 0.00 177.93 179.61 2waq h LYS 238 N 0.07 0.00 0.13 5.26 2.10 -1.70 -1.90 116.57 120.52 2waq h LYS 238 Ca 0.03 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.40 2waq h LYS 238 Cb 0.02 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2waq h LYS 238 CO -0.01 0.00 -1.23 1.25 -2.00 0.00 0.00 179.45 177.46 2waq h LEU 239 N 0.00 0.59 -0.73 7.07 6.46 -0.98 -3.27 115.31 124.44 2waq h LEU 239 Ca 0.00 -0.59 -0.12 0.00 -0.12 0.00 0.00 57.88 57.05 2waq h LEU 239 Cb 0.55 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2waq h LEU 239 CO 0.00 1.43 -0.38 0.58 -0.62 0.00 0.00 178.44 179.45 2waq h VAL 240 N 0.14 1.30 0.00 1.05 2.07 -0.57 -2.55 116.25 117.69 2waq h VAL 240 Ca -0.15 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2waq h VAL 240 Cb 1.93 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2waq h VAL 240 CO 0.22 0.48 0.00 0.47 0.02 0.00 0.00 177.57 178.75 2waq n ASP 241 N -4.04 0.00 -0.12 0.57 9.92 -0.74 -1.22 116.55 120.92 2waq n ASP 241 Ca -0.01 -0.11 -0.20 0.00 -0.53 0.00 0.00 54.79 53.93 2waq n ASP 241 Cb 0.50 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.77 2waq n ASP 241 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2waq n ILE 242 N -1.09 1.51 0.10 0.53 5.41 -0.97 -4.26 119.36 120.60 2waq n ILE 242 Ca 0.05 -0.54 0.01 0.00 1.00 0.00 0.00 62.75 63.27 2waq n ILE 242 Cb 0.04 -1.53 0.34 0.00 -0.71 0.00 0.00 39.64 37.77 2waq n ILE 242 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2waq h VAL 243 N -0.19 1.21 -0.17 1.39 2.07 -1.09 0.16 116.25 119.63 2waq h VAL 243 Ca -0.59 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2waq h VAL 243 Cb 1.85 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2waq h VAL 243 CO -0.14 0.30 0.11 -0.09 0.02 0.00 0.00 177.57 177.77 2waq h ARG 244 N 0.25 0.23 -0.12 1.57 2.43 -1.39 -2.23 114.38 115.12 2waq h ARG 244 Ca 0.05 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 2waq h ARG 244 Cb 0.48 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2waq h ARG 244 CO 0.03 0.17 -0.59 0.82 -1.51 0.00 0.00 179.97 178.90 2waq h ILE 245 N 0.22 1.36 0.00 1.20 1.08 -1.65 -2.67 117.51 117.04 2waq h ILE 245 Ca 0.06 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 2waq h ILE 245 Cb -0.01 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2waq h ILE 245 CO -0.01 0.57 0.00 -3.20 -0.69 0.00 0.00 178.15 174.82 2waq n ASN 246 N -3.91 0.61 -0.01 1.72 5.15 0.54 -2.26 115.26 117.11 2waq n ASN 246 Ca -0.03 -1.75 -0.01 0.00 -0.60 0.00 0.00 54.58 52.19 2waq n ASN 246 Cb 0.61 -0.31 -0.01 0.00 -0.53 0.00 0.00 39.78 39.55 2waq n ASN 246 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2waq n GLU 247 N -0.11 0.03 -0.07 1.20 4.07 -0.86 -4.34 120.64 120.56 2waq n GLU 247 Ca 0.00 0.01 -0.03 0.00 -0.06 0.00 0.00 57.16 57.08 2waq n GLU 247 Cb 0.15 -0.88 0.19 0.00 -0.06 0.00 0.00 31.44 30.84 2waq n GLU 247 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2waq h ARG 248 N -0.02 0.71 -0.04 5.31 3.08 -1.37 0.17 114.38 122.22 2waq h ARG 248 Ca -0.03 -0.19 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 2waq h ARG 248 Cb 1.04 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 2waq h ARG 248 CO -0.01 0.74 -0.82 -0.07 -1.07 0.00 0.00 179.97 178.74 2waq h LEU 249 N 0.66 0.50 -0.79 3.04 3.38 -1.74 -2.33 115.31 118.02 2waq h LEU 249 Ca 0.13 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2waq h LEU 249 Cb 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2waq h LEU 249 CO 0.02 1.12 -0.16 0.11 0.09 0.00 0.00 178.44 179.62 2waq h LYS 250 N 0.25 0.73 0.00 1.13 1.57 -1.66 -2.99 116.57 115.61 2waq h LYS 250 Ca -0.05 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2waq h LYS 250 Cb 1.42 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 2waq h LYS 250 CO 0.14 0.85 -0.08 1.49 -0.57 0.00 0.00 179.45 181.29 2waq h GLU 251 N 0.66 0.00 -1.07 3.15 4.81 -0.69 -3.28 114.58 118.16 2waq h GLU 251 Ca 0.10 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.73 2waq h GLU 251 Cb 0.64 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.75 2waq h GLU 251 CO 0.05 0.08 0.78 -1.13 -0.73 0.00 0.00 179.01 178.06 2waq n SER 252 N -3.12 6.99 -0.09 1.04 3.41 -0.88 -3.91 113.62 117.05 2waq n SER 252 Ca 0.03 -3.66 -0.20 0.00 -0.26 0.00 0.00 58.87 54.79 2waq n SER 252 Cb 0.54 -0.97 -0.07 0.00 -0.26 0.00 0.00 64.21 63.46 2waq n SER 252 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2waq n ILE 253 N -0.78 1.12 1.32 -1.33 5.41 -1.24 -4.66 119.36 119.20 2waq n ILE 253 Ca 0.58 -0.23 0.13 0.00 1.00 0.00 0.00 62.75 64.23 2waq n ILE 253 Cb 0.78 -1.80 0.41 0.00 -0.71 0.00 0.00 39.64 38.32 2waq n ILE 253 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2waq n ASP 254 N -3.92 1.90 -3.75 4.38 9.92 -1.26 -4.58 116.55 119.24 2waq n ASP 254 Ca -0.36 -1.65 -0.28 0.00 -0.53 0.00 0.00 54.79 51.97 2waq n ASP 254 Cb 0.74 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 41.08 2waq n ASP 254 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2waq n ALA 255 N 0.48 3.38 -0.60 2.24 0.00 -1.25 -5.05 120.51 119.71 2waq n ALA 255 Ca 0.18 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.31 2waq n ALA 255 Cb 0.41 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2waq n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2waq n GLY 256 N 1.97 0.28 2.23 0.00 0.00 -1.26 -4.80 105.19 103.60 2waq n GLY 256 Ca 0.23 0.44 -0.04 0.00 0.00 0.00 0.00 46.02 46.65 2waq n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq n ALA 257 N 4.82 -3.49 -0.72 4.61 0.00 -1.26 -4.94 120.51 119.53 2waq n ALA 257 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 53.44 54.75 2waq n ALA 257 Cb 0.00 -3.13 0.24 0.00 0.00 0.00 0.00 19.45 16.57 2waq n ALA 257 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2waq s PRO 258 N -0.80 -1.18 -0.00 0.00 0.02 -1.26 -4.88 135.00 126.90 2waq s PRO 258 Ca -0.19 0.47 -0.23 0.00 0.02 0.00 0.00 61.00 61.07 2waq s PRO 258 Cb 0.01 -1.55 -0.19 0.00 0.02 0.00 0.00 34.50 32.79 2waq s PRO 258 CO 0.53 -3.80 1.22 1.96 -0.33 0.00 0.00 177.00 176.58 2waq h GLN 259 N -2.66 0.23 0.00 5.54 1.08 -1.99 -2.95 115.11 114.36 2waq h GLN 259 Ca -0.55 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 56.44 2waq h GLN 259 Cb 1.33 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.78 2waq h GLN 259 CO 0.46 0.76 -0.26 -0.07 -0.95 0.00 0.00 178.83 178.77 2waq h LEU 260 N -0.27 0.00 -0.01 1.46 3.38 -1.99 -2.34 115.31 115.55 2waq h LEU 260 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2waq h LEU 260 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2waq h LEU 260 CO 0.04 0.26 -0.03 0.40 0.09 0.00 0.00 178.44 179.20 2waq h ILE 261 N 0.00 1.54 0.00 1.22 2.04 -1.95 -2.59 117.51 117.76 2waq h ILE 261 Ca -0.00 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 2waq h ILE 261 Cb 0.47 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2waq h ILE 261 CO 0.03 0.43 -0.14 -0.29 0.00 0.00 0.00 178.15 178.18 2waq h ILE 262 N -0.64 0.40 0.03 -0.67 2.10 -1.48 -3.00 117.51 114.25 2waq h ILE 262 Ca -0.00 -0.82 -0.27 0.00 1.08 0.00 0.00 64.86 64.84 2waq h ILE 262 Cb 0.71 1.60 -0.03 0.00 -1.09 0.00 0.00 36.82 38.01 2waq h ILE 262 CO 0.01 0.14 -1.45 -0.33 -1.08 0.00 0.00 178.15 175.44 2waq h GLU 263 N 0.00 0.07 0.00 2.19 5.08 -1.49 -2.74 114.58 117.69 2waq h GLU 263 Ca -0.00 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2waq h GLU 263 Cb 0.58 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2waq h GLU 263 CO 0.02 0.84 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.22 2waq h ASP 264 N 0.02 0.00 0.66 1.42 3.45 -1.35 -0.28 116.42 120.33 2waq h ASP 264 Ca -0.19 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.00 2waq h ASP 264 Cb 1.94 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.68 2waq h ASP 264 CO 0.12 0.21 -1.41 -0.07 -1.57 0.00 0.00 179.24 176.51 2waq h LEU 265 N 0.00 0.11 -1.08 1.55 3.38 -1.62 -3.15 115.31 114.50 2waq h LEU 265 Ca -0.00 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2waq h LEU 265 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2waq h LEU 265 CO 0.03 1.14 -0.46 -0.25 0.09 0.00 0.00 178.44 178.98 2waq h TRP 266 N 0.02 0.00 -0.11 1.13 7.01 -1.20 -1.56 115.95 121.24 2waq h TRP 266 Ca -0.18 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.82 2waq h TRP 266 Cb 1.93 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.99 2waq h TRP 266 CO 0.02 0.46 0.00 -0.25 -2.79 0.00 0.00 178.44 175.88 2waq n ASP 267 N -3.99 1.06 -0.10 2.65 8.00 -0.14 -2.74 116.55 121.28 2waq n ASP 267 Ca -0.02 -1.61 -0.11 0.00 0.71 0.00 0.00 54.79 53.76 2waq n ASP 267 Cb 0.48 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 2waq n ASP 267 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2waq n LEU 268 N -0.08 0.40 0.08 0.64 4.77 -0.64 -3.64 117.00 118.52 2waq n LEU 268 Ca 0.15 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 2waq n LEU 268 Cb 0.23 0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2waq n LEU 268 CO 0.12 0.56 0.31 -0.07 -1.33 0.00 0.00 177.39 176.98 2waq h LEU 269 N 0.00 0.28 0.00 2.23 3.38 -1.47 0.46 115.31 120.18 2waq h LEU 269 Ca -0.55 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2waq h LEU 269 Cb 2.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.87 2waq h LEU 269 CO 0.01 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.51 2waq n GLN 270 N -3.72 0.66 -0.07 1.13 6.02 -1.11 -2.59 117.38 117.70 2waq n GLN 270 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 2waq n GLN 270 Cb 0.76 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.48 2waq n GLN 270 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2waq n TYR 271 N -1.00 0.00 -0.03 1.08 9.36 -0.90 -4.59 117.16 121.09 2waq n TYR 271 Ca 0.16 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.23 2waq n TYR 271 Cb 0.07 -0.49 -0.10 0.00 -0.63 0.00 0.00 39.34 38.20 2waq n TYR 271 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2waq h HIS 272 N -0.63 0.42 -0.34 2.98 3.86 -0.14 0.99 115.15 122.29 2waq h HIS 272 Ca -0.24 -0.19 0.01 0.00 -1.16 0.00 0.00 60.37 58.79 2waq h HIS 272 Cb 1.05 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 2waq h HIS 272 CO -0.16 0.93 0.21 0.28 0.86 0.00 0.00 177.93 180.05 2waq h VAL 273 N -0.20 1.05 0.00 2.45 2.07 -1.72 0.11 116.25 120.00 2waq h VAL 273 Ca -0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2waq h VAL 273 Cb 0.97 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2waq h VAL 273 CO 0.06 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.73 2waq h ALA 274 N 1.14 1.00 0.16 1.67 0.00 -1.70 -2.79 119.26 118.74 2waq h ALA 274 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 2waq h ALA 274 Cb -0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2waq h ALA 274 CO -0.05 0.00 -1.45 1.15 0.00 0.00 0.00 179.25 178.90 2waq h THR 275 N 0.00 1.10 -0.78 0.00 2.02 -0.27 -3.22 112.91 111.77 2waq h THR 275 Ca 0.00 -2.49 0.11 0.00 0.77 0.00 0.00 66.41 64.80 2waq h THR 275 Cb 0.49 2.84 -0.05 0.00 -1.74 0.00 0.00 68.15 69.69 2waq h THR 275 CO 0.00 0.77 0.51 0.22 0.37 0.00 0.00 175.52 177.39 2waq h TYR 276 N -0.12 0.69 0.00 3.16 3.20 -0.55 -3.23 116.97 120.12 2waq h TYR 276 Ca -0.29 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2waq h TYR 276 Cb 1.91 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.95 2waq h TYR 276 CO 0.13 0.31 0.00 1.19 -1.64 0.00 0.00 178.16 178.15 2waq n PHE 277 N -4.50 0.00 -5.20 -3.82 3.72 -1.09 -3.68 117.46 102.89 2waq n PHE 277 Ca 0.14 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.23 2waq n PHE 277 Cb 0.38 -0.40 -0.16 0.00 -0.94 0.00 0.00 39.48 38.36 2waq n PHE 277 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2waq s ASP 278 N -2.45 2.91 -0.39 4.37 -1.08 -1.21 -1.39 116.67 117.42 2waq s ASP 278 Ca 0.00 -0.48 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 2waq s ASP 278 Cb 0.00 -0.72 0.30 0.00 -1.46 0.00 0.00 42.92 41.04 2waq s ASP 278 CO 0.00 0.24 0.69 -3.20 0.52 0.00 0.00 175.17 173.42 2waq n ASN 279 N 2.89 0.06 0.00 -0.34 4.05 -1.26 -4.22 115.26 116.44 2waq n ASN 279 Ca -0.17 -2.95 0.00 0.00 0.45 0.00 0.00 54.58 51.90 2waq n ASN 279 Cb 0.52 -0.26 0.00 0.00 1.23 0.00 0.00 39.78 41.27 2waq n ASN 279 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2waq n GLU 280 N 0.84 0.00 0.16 1.20 2.13 -1.26 -4.89 120.64 118.82 2waq n GLU 280 Ca 0.21 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.06 2waq n GLU 280 Cb 0.61 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.44 2waq n GLU 280 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2waq h ILE 281 N 0.00 0.86 -2.70 6.31 2.04 -2.01 -3.43 117.51 118.57 2waq h ILE 281 Ca 0.00 -2.00 -0.35 0.00 1.00 0.00 0.00 64.86 63.51 2waq h ILE 281 Cb 0.00 2.27 0.20 0.00 -0.74 0.00 0.00 36.82 38.55 2waq h ILE 281 CO 0.00 0.45 -0.23 -2.65 0.00 0.00 0.00 178.15 175.72 2waq n PRO 282 N -3.30 -3.70 -0.66 2.37 -0.02 -1.26 -4.79 135.00 123.63 2waq n PRO 282 Ca 0.01 -1.09 -0.16 0.00 -2.02 0.00 0.00 63.50 60.24 2waq n PRO 282 Cb 0.67 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 2waq n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2waq n GLY 283 N 1.88 2.75 3.89 -1.23 0.00 -1.26 -4.68 105.19 106.55 2waq n GLY 283 Ca 0.09 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2waq n GLY 283 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2waq n LEU 284 N 3.70 -1.27 -0.01 0.99 0.00 -1.26 -4.94 117.00 114.22 2waq n LEU 284 Ca 0.37 -1.09 -0.10 0.00 0.00 0.00 0.00 56.01 55.20 2waq n LEU 284 Cb 0.26 -1.58 -0.04 0.00 0.00 0.00 0.00 43.42 42.06 2waq n LEU 284 CO 0.52 0.54 0.83 -0.65 0.00 0.00 0.00 177.39 178.64 2waq h PRO 285 N -1.01 -0.02 -0.44 1.96 0.11 -1.95 -3.47 132.00 127.18 2waq h PRO 285 Ca -0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.44 2waq h PRO 285 Cb 1.41 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.52 2waq h PRO 285 CO 0.41 -0.01 0.00 -0.35 -0.21 0.00 0.00 178.00 177.84 2waq n PRO 286 N -5.18 2.46 -1.94 1.05 -0.04 -1.26 -5.00 135.00 125.09 2waq n PRO 286 Ca -0.04 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2waq n PRO 286 Cb 0.11 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2waq n PRO 286 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2waq n SER 287 N 1.20 -7.46 -3.87 3.54 2.88 -1.26 -4.75 113.62 103.90 2waq n SER 287 Ca 0.17 1.31 -0.13 0.00 -1.33 0.00 0.00 58.87 58.90 2waq n SER 287 Cb 0.53 -4.05 -0.14 0.00 -0.75 0.00 0.00 64.21 59.80 2waq n SER 287 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2waq s LYS 288 N -1.04 0.07 -0.04 -1.46 1.02 -1.26 -3.71 119.74 113.32 2waq s LYS 288 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 55.97 56.02 2waq s LYS 288 Cb 0.00 -0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.21 2waq s LYS 288 CO 0.00 -0.01 -0.10 -1.01 -0.92 0.00 0.00 175.35 173.31 2waq s HIS 289 N 0.16 1.10 0.00 3.18 3.76 -1.26 -4.93 115.29 117.30 2waq s HIS 289 Ca -0.01 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2waq s HIS 289 Cb -0.02 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.87 2waq s HIS 289 CO -0.00 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.28 2waq n ARG 290 N 3.45 0.00 0.12 1.40 3.00 -1.26 -3.24 116.66 120.13 2waq n ARG 290 Ca -0.20 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 57.77 2waq n ARG 290 Cb 0.53 0.00 0.45 0.00 0.00 0.00 0.00 32.46 33.44 2waq n ARG 290 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2waq n SER 291 N 2.66 0.78 0.00 0.55 3.41 -1.26 -4.90 113.62 114.86 2waq n SER 291 Ca 0.00 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 2waq n SER 291 Cb 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2waq n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2waq n GLY 292 N 0.70 0.71 3.70 5.00 0.00 -1.20 -5.05 105.19 109.06 2waq n GLY 292 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2waq n GLY 292 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2waq s ARG 293 N -0.76 4.34 0.17 1.61 3.52 -1.26 -4.82 118.95 121.75 2waq s ARG 293 Ca 0.00 1.93 -0.33 0.00 -0.13 0.00 0.00 55.73 57.20 2waq s ARG 293 Cb 0.00 -3.42 -0.15 0.00 -1.56 0.00 0.00 34.95 29.82 2waq s ARG 293 CO 0.00 -0.45 1.23 -2.30 -0.81 0.00 0.00 175.30 172.98 2waq n PRO 294 N 4.57 1.33 -1.52 5.12 -0.02 -1.26 -4.37 135.00 138.84 2waq n PRO 294 Ca 0.11 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 2waq n PRO 294 Cb 0.44 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 31.97 2waq n PRO 294 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2waq s LEU 295 N 0.56 3.21 -0.23 2.45 2.01 -1.24 -5.04 118.68 120.40 2waq s LEU 295 Ca 0.74 1.89 -0.05 0.00 0.01 0.00 0.00 54.13 56.71 2waq s LEU 295 Cb -0.83 -4.53 -0.02 0.00 0.01 0.00 0.00 46.19 40.82 2waq s LEU 295 CO 0.51 -1.79 0.01 -0.13 1.01 0.00 0.00 176.35 175.95 2waq s ARG 296 N -4.53 3.52 0.47 1.70 3.00 -1.26 -4.96 118.95 116.89 2waq s ARG 296 Ca 0.64 -0.55 0.05 0.00 0.00 0.00 0.00 55.73 55.87 2waq s ARG 296 Cb -0.18 -3.14 -0.03 0.00 0.00 0.00 0.00 34.95 31.60 2waq s ARG 296 CO 0.49 -0.16 0.15 0.95 0.00 0.00 0.00 175.30 176.73 2waq s THR 297 N 1.46 1.81 0.24 0.02 -4.23 -1.26 -4.79 115.64 108.89 2waq s THR 297 Ca 0.05 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2waq s THR 297 Cb -0.15 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.32 2waq s THR 297 CO 0.00 0.00 1.72 -0.07 -0.54 0.00 0.00 174.62 175.73 2waq h LEU 298 N 1.32 0.22 -1.00 4.79 3.38 -1.62 0.25 115.31 122.64 2waq h LEU 298 Ca -0.42 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2waq h LEU 298 Cb 1.28 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2waq h LEU 298 CO 0.70 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.30 2waq h ALA 299 N 1.56 1.00 0.00 1.53 0.00 -1.52 -2.76 119.26 119.07 2waq h ALA 299 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2waq h ALA 299 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2waq h ALA 299 CO -0.43 0.00 -0.86 1.96 0.00 0.00 0.00 179.25 179.92 2waq h GLN 300 N 0.00 0.00 -0.68 0.00 4.20 -1.13 -2.65 115.11 114.85 2waq h GLN 300 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2waq h GLN 300 Cb 0.66 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2waq h GLN 300 CO 0.00 0.00 0.21 0.00 -0.67 0.00 0.00 178.83 178.37 2waq h ARG 301 N 0.00 1.04 0.15 1.46 3.08 -0.33 -3.24 114.38 116.54 2waq h ARG 301 Ca 0.00 -0.21 -0.36 0.00 0.07 0.00 0.00 59.98 59.48 2waq h ARG 301 Cb 0.91 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2waq h ARG 301 CO 0.00 0.89 -1.88 -0.07 -1.07 0.00 0.00 179.97 177.84 2waq h LEU 302 N 1.00 0.48 -0.70 3.04 3.38 -1.64 -3.34 115.31 117.53 2waq h LEU 302 Ca 0.22 -0.94 -0.08 0.00 0.09 0.00 0.00 57.88 57.17 2waq h LEU 302 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2waq h LEU 302 CO -0.01 1.82 0.13 0.50 0.09 0.00 0.00 178.44 180.98 2waq h LYS 303 N 0.05 1.13 -6.57 1.13 3.64 -1.56 -3.39 116.57 111.00 2waq h LYS 303 Ca -0.39 -0.29 -0.59 0.00 -1.27 0.00 0.00 60.65 58.10 2waq h LYS 303 Cb 2.04 -0.14 0.10 0.00 -0.41 0.00 0.00 32.23 33.82 2waq h LYS 303 CO 0.11 1.02 0.34 0.41 -2.27 0.00 0.00 179.45 179.06 2waq n GLY 304 N -0.61 0.21 0.19 5.01 0.00 -1.22 -4.84 105.19 103.93 2waq n GLY 304 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2waq n GLY 304 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2waq n LYS 305 N 0.95 0.61 0.00 1.61 5.02 -1.26 -2.68 118.16 122.41 2waq n LYS 305 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2waq n LYS 305 Cb 0.33 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2waq n LYS 305 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2waq n GLU 306 N -0.23 1.11 -4.57 1.97 1.02 -1.26 -4.74 120.64 113.94 2waq n GLU 306 Ca 0.00 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.87 2waq n GLU 306 Cb 0.06 -0.33 -0.14 0.00 -0.02 0.00 0.00 31.44 31.01 2waq n GLU 306 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2waq s GLY 307 N -0.17 0.80 0.00 0.62 0.00 -1.09 -3.96 107.32 103.51 2waq s GLY 307 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2waq s GLY 307 CO 0.00 -0.68 0.00 0.54 0.00 0.00 0.00 173.10 172.96 2waq n ARG 308 N 2.32 0.00 0.01 2.90 5.12 -1.25 -3.74 116.66 122.01 2waq n ARG 308 Ca -0.16 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.58 2waq n ARG 308 Cb 0.55 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.74 2waq n ARG 308 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2waq h PHE 309 N 0.00 0.75 0.00 -1.55 -1.00 -1.86 -0.22 116.94 113.06 2waq h PHE 309 Ca 0.00 -0.40 -0.25 0.00 2.81 0.00 0.00 57.97 60.13 2waq h PHE 309 Cb 0.00 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 2waq h PHE 309 CO 0.00 1.22 -1.78 0.54 -1.61 0.00 0.00 178.31 176.69 2waq n ARG 310 N -4.11 0.64 0.00 1.51 1.74 -1.25 -2.52 116.66 112.67 2waq n ARG 310 Ca -0.10 0.18 0.09 0.00 -0.77 0.00 0.00 57.85 57.24 2waq n ARG 310 Cb 0.73 -1.72 -0.09 0.00 -1.02 0.00 0.00 32.46 30.35 2waq n ARG 310 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2waq n GLY 311 N 1.53 -0.67 0.00 -0.13 0.00 -1.25 -3.74 105.19 100.92 2waq n GLY 311 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2waq n GLY 311 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2waq n ASN 312 N -1.29 1.15 -0.09 1.61 5.03 -0.88 -4.61 115.26 116.18 2waq n ASN 312 Ca 0.04 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.31 2waq n ASN 312 Cb 0.30 0.14 -0.06 0.00 -1.02 0.00 0.00 39.78 39.14 2waq n ASN 312 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2waq n LEU 313 N -0.74 1.41 0.01 3.41 4.77 -0.15 -4.62 117.00 121.09 2waq n LEU 313 Ca 0.00 0.18 0.11 0.00 -0.03 0.00 0.00 56.01 56.27 2waq n LEU 313 Cb 0.09 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 2waq n LEU 313 CO 0.00 0.41 -0.03 -0.24 -1.33 0.00 0.00 177.39 176.20 2waq n SER 314 N -3.70 0.67 -3.49 -1.43 2.88 -1.05 -4.80 113.62 102.71 2waq n SER 314 Ca -0.34 -0.48 -0.18 0.00 -1.33 0.00 0.00 58.87 56.54 2waq n SER 314 Cb 0.75 0.91 -0.13 0.00 -0.75 0.00 0.00 64.21 64.99 2waq n SER 314 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2waq s GLY 315 N -3.41 -0.01 0.41 0.46 0.00 -1.25 -5.06 107.32 98.47 2waq s GLY 315 Ca 0.05 0.26 0.08 0.00 0.00 0.00 0.00 44.72 45.11 2waq s GLY 315 CO 0.82 2.17 0.33 0.54 0.00 0.00 0.00 173.10 176.96 2waq s LYS 316 N 2.33 2.47 -0.10 2.90 1.02 -1.26 -2.96 119.74 124.14 2waq s LYS 316 Ca 0.07 -1.60 -0.09 0.00 0.02 0.00 0.00 55.97 54.37 2waq s LYS 316 Cb -0.16 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 2waq s LYS 316 CO -0.12 -0.17 0.21 1.03 -0.92 0.00 0.00 175.35 175.38 2waq s ARG 317 N -4.07 3.62 0.06 1.68 0.52 -1.26 -5.06 118.95 114.44 2waq s ARG 317 Ca 0.46 0.00 0.06 0.00 -0.52 0.00 0.00 55.73 55.74 2waq s ARG 317 Cb -0.02 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 2waq s ARG 317 CO 0.27 0.72 -0.16 0.14 0.02 0.00 0.00 175.30 176.28 2waq s VAL 318 N -0.92 1.30 0.90 3.52 -7.23 -1.26 -5.15 120.40 111.56 2waq s VAL 318 Ca 0.17 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 2waq s VAL 318 Cb -0.13 -1.19 0.13 0.00 0.56 0.00 0.00 36.38 35.75 2waq s VAL 318 CO 0.06 -0.05 1.14 -1.81 -0.31 0.00 0.00 175.10 174.12 2waq s ASP 319 N -1.48 3.57 -1.07 4.85 1.11 -1.26 -4.46 116.67 117.94 2waq s ASP 319 Ca 0.02 0.97 -0.20 0.00 0.18 0.00 0.00 52.55 53.52 2waq s ASP 319 Cb -0.09 -1.55 0.01 0.00 1.07 0.00 0.00 42.92 42.37 2waq s ASP 319 CO 0.02 -2.51 0.71 0.49 1.18 0.00 0.00 175.17 175.06 2waq n PHE 320 N -3.74 -1.82 -3.68 4.23 3.01 -1.26 -4.81 117.46 109.38 2waq n PHE 320 Ca 0.07 0.44 -0.09 0.00 1.01 0.00 0.00 57.45 58.88 2waq n PHE 320 Cb 0.59 -3.09 -0.09 0.00 -0.01 0.00 0.00 39.48 36.88 2waq n PHE 320 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2waq s SER 321 N -3.34 -0.60 0.19 4.37 1.04 -1.26 -1.72 113.70 112.38 2waq s SER 321 Ca 0.34 1.08 0.10 0.00 0.48 0.00 0.00 55.95 57.94 2waq s SER 321 Cb -0.16 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 2waq s SER 321 CO 0.90 -0.21 -0.20 -0.55 0.98 0.00 0.00 173.24 174.17 2waq s SER 322 N 1.69 2.98 -0.08 7.02 0.15 -0.62 -4.94 113.70 119.91 2waq s SER 322 Ca -0.08 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.67 2waq s SER 322 Cb -0.08 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2waq s SER 322 CO -0.15 0.00 -0.08 -0.60 1.20 0.00 0.00 173.24 173.62 2waq s ARG 323 N -2.94 1.34 0.13 5.44 3.52 -1.26 -0.20 118.95 124.97 2waq s ARG 323 Ca 0.20 -0.23 -0.10 0.00 -0.13 0.00 0.00 55.73 55.46 2waq s ARG 323 Cb -0.06 -1.30 0.00 0.00 -1.56 0.00 0.00 34.95 32.03 2waq s ARG 323 CO 0.09 -0.14 0.28 0.99 -0.81 0.00 0.00 175.30 175.71 2waq s THR 324 N 1.23 0.09 0.47 4.11 2.01 -1.11 -4.99 115.64 117.46 2waq s THR 324 Ca -0.05 -1.15 -0.23 0.00 0.31 0.00 0.00 61.69 60.57 2waq s THR 324 Cb -0.14 -1.53 -0.07 0.00 0.01 0.00 0.00 72.50 70.77 2waq s THR 324 CO -0.02 -0.43 1.22 -0.69 -0.69 0.00 0.00 174.62 174.01 2waq s VAL 325 N -3.90 2.82 -0.00 3.82 1.01 -1.26 -1.75 120.40 121.14 2waq s VAL 325 Ca 0.10 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 2waq s VAL 325 Cb 0.03 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2waq s VAL 325 CO -0.06 0.00 0.07 0.27 0.00 0.00 0.00 175.10 175.38 2waq s ILE 326 N -1.46 4.65 0.05 2.22 -4.36 -0.99 -1.77 121.20 119.55 2waq s ILE 326 Ca 0.65 -0.44 0.04 0.00 -0.26 0.00 0.00 60.65 60.63 2waq s ILE 326 Cb -0.32 -3.13 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 2waq s ILE 326 CO 0.39 0.35 -0.11 -0.94 0.24 0.00 0.00 174.94 174.87 2waq s SER 327 N -1.73 1.26 0.59 4.36 1.04 -0.39 -4.78 113.70 114.05 2waq s SER 327 Ca 0.23 -0.55 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 2waq s SER 327 Cb -0.12 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2waq s SER 327 CO 0.14 -0.12 1.06 -2.16 0.98 0.00 0.00 173.24 173.14 2waq s PRO 328 N -1.54 3.30 -0.24 4.02 0.04 -1.26 -2.85 135.00 136.46 2waq s PRO 328 Ca -0.05 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 2waq s PRO 328 Cb -0.09 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.55 2waq s PRO 328 CO 0.01 -0.83 0.43 0.34 0.04 0.00 0.00 177.00 176.99 2waq s ASP 329 N -2.69 -0.19 0.23 6.66 3.68 -1.23 -4.87 116.67 118.25 2waq s ASP 329 Ca 0.64 0.59 0.01 0.00 2.13 0.00 0.00 52.55 55.93 2waq s ASP 329 Cb -0.17 1.38 0.24 0.00 -1.45 0.00 0.00 42.92 42.93 2waq s ASP 329 CO 0.36 -0.27 1.58 1.55 0.13 0.00 0.00 175.17 178.52 2waq h PRO 330 N 8.15 0.42 -7.57 4.34 0.13 -1.97 -3.33 132.00 132.17 2waq h PRO 330 Ca -0.19 -0.24 -0.45 0.00 -0.87 0.00 0.00 66.00 64.25 2waq h PRO 330 Cb 1.14 0.02 0.13 0.00 0.13 0.00 0.00 31.00 32.42 2waq h PRO 330 CO 0.22 0.82 0.32 -0.80 -0.23 0.00 0.00 178.00 178.33 2waq s ASN 331 N -6.89 3.70 0.34 1.44 0.01 -1.26 -4.92 114.94 107.36 2waq s ASN 331 Ca -0.06 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 2waq s ASN 331 Cb 0.12 -0.36 0.00 0.00 0.41 0.00 0.00 41.25 41.42 2waq s ASN 331 CO 0.81 -2.34 0.00 2.30 -1.51 0.00 0.00 177.10 176.37 2waq n ILE 332 N -3.40 -4.24 -0.83 0.60 -5.35 -1.26 -4.87 119.36 100.01 2waq n ILE 332 Ca 0.14 1.80 -0.30 0.00 -0.27 0.00 0.00 62.75 64.12 2waq n ILE 332 Cb 0.60 -2.54 0.17 0.00 -1.74 0.00 0.00 39.64 36.12 2waq n ILE 332 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2waq s SER 333 N -2.53 2.86 0.42 7.28 0.15 -1.26 -4.87 113.70 115.76 2waq s SER 333 Ca 0.00 1.90 0.09 0.00 0.70 0.00 0.00 55.95 58.64 2waq s SER 333 Cb 0.00 -2.45 0.90 0.00 -1.71 0.00 0.00 66.02 62.76 2waq s SER 333 CO 0.00 -3.09 2.03 0.40 1.20 0.00 0.00 173.24 173.78 2waq h ILE 334 N -1.86 1.11 -0.08 6.45 2.04 -1.92 -1.87 117.51 121.38 2waq h ILE 334 Ca -0.48 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 2waq h ILE 334 Cb 1.28 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2waq h ILE 334 CO 0.47 0.13 -0.48 0.44 0.00 0.00 0.00 178.15 178.70 2waq h ASP 335 N 0.38 0.21 -4.23 1.72 5.19 -1.93 -3.44 116.42 114.32 2waq h ASP 335 Ca 0.10 -0.10 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 2waq h ASP 335 Cb 0.07 -0.06 0.07 0.00 0.18 0.00 0.00 39.33 39.59 2waq h ASP 335 CO -0.01 0.66 0.38 -1.61 -3.12 0.00 0.00 179.24 175.54 2waq s GLU 336 N -4.00 3.27 -0.04 3.56 2.02 -0.70 -0.31 118.70 122.49 2waq s GLU 336 Ca -0.04 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.11 2waq s GLU 336 Cb 0.13 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.34 2waq s GLU 336 CO 0.77 -0.85 -0.10 0.54 0.02 0.00 0.00 175.26 175.65 2waq s VAL 337 N -2.60 0.92 -0.34 2.63 0.11 0.17 -4.65 120.40 116.64 2waq s VAL 337 Ca 0.62 -0.41 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2waq s VAL 337 Cb -0.15 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2waq s VAL 337 CO 0.41 0.29 0.83 -0.83 -3.33 0.00 0.00 175.10 172.46 2waq s GLY 338 N 0.35 1.66 -0.14 6.54 0.00 -1.01 -0.16 107.32 114.57 2waq s GLY 338 Ca -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.19 2waq s GLY 338 CO 0.01 1.83 -0.19 0.14 0.00 0.00 0.00 173.10 174.89 2waq s VAL 339 N 3.13 2.39 0.92 1.40 1.01 -0.18 -1.23 120.40 127.84 2waq s VAL 339 Ca 0.34 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2waq s VAL 339 Cb -0.13 -1.97 0.15 0.00 0.00 0.00 0.00 36.38 34.42 2waq s VAL 339 CO 0.15 0.54 1.14 -2.84 0.00 0.00 0.00 175.10 174.09 2waq s PRO 340 N 0.66 0.96 0.09 2.72 0.02 -1.26 -1.72 135.00 136.48 2waq s PRO 340 Ca -0.09 1.51 -0.15 0.00 0.02 0.00 0.00 61.00 62.29 2waq s PRO 340 Cb -0.16 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 2waq s PRO 340 CO 0.02 -2.66 1.39 1.49 -0.33 0.00 0.00 177.00 176.91 2waq h GLU 341 N -1.89 0.67 -0.63 5.54 4.81 -1.78 -1.76 114.58 119.55 2waq h GLU 341 Ca -0.44 -0.39 0.08 0.00 -0.13 0.00 0.00 59.36 58.48 2waq h GLU 341 Cb 1.27 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 2waq h GLU 341 CO 0.42 1.00 0.29 0.82 -0.73 0.00 0.00 179.01 180.82 2waq h ILE 342 N 0.39 0.85 -0.45 2.32 1.08 -1.93 0.98 117.51 120.75 2waq h ILE 342 Ca 0.03 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2waq h ILE 342 Cb 0.92 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 2waq h ILE 342 CO 0.08 0.10 0.21 0.40 -0.69 0.00 0.00 178.15 178.25 2waq h ILE 343 N 0.52 1.18 -0.11 -0.67 1.08 -1.92 -2.50 117.51 115.09 2waq h ILE 343 Ca 0.31 -0.52 -0.08 0.00 -0.39 0.00 0.00 64.86 64.17 2waq h ILE 343 Cb 0.31 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2waq h ILE 343 CO -0.25 0.20 -0.30 0.00 -0.69 0.00 0.00 178.15 177.11 2waq h ALA 344 N 1.06 1.28 0.00 1.87 0.00 -0.52 0.30 119.26 123.26 2waq h ALA 344 Ca 0.15 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2waq h ALA 344 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2waq h ALA 344 CO -0.02 0.49 -0.61 0.00 0.00 0.00 0.00 179.25 179.11 2waq h ARG 345 N 0.19 0.00 0.00 0.00 3.08 -0.70 -2.60 114.38 114.35 2waq h ARG 345 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2waq h ARG 345 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2waq h ARG 345 CO 0.05 0.61 -0.25 1.15 -1.07 0.00 0.00 179.97 180.46 2waq h THR 346 N 0.00 0.00 -3.05 2.04 2.02 -0.98 -3.46 112.91 109.47 2waq h THR 346 Ca -0.01 -0.89 -0.53 0.00 0.77 0.00 0.00 66.41 65.75 2waq h THR 346 Cb 1.12 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2waq h THR 346 CO 0.08 0.00 0.73 -0.76 0.37 0.00 0.00 175.52 175.94 2waq s LEU 347 N -7.94 4.38 0.09 2.58 1.43 0.05 -5.02 118.68 114.25 2waq s LEU 347 Ca -0.07 2.37 0.04 0.00 -1.03 0.00 0.00 54.13 55.43 2waq s LEU 347 Cb 0.01 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 2waq s LEU 347 CO 0.11 -0.65 -0.11 0.42 0.23 0.00 0.00 176.35 176.35 2waq s THR 348 N 0.93 0.95 -0.12 5.49 -4.23 -1.26 -3.36 115.64 114.05 2waq s THR 348 Ca 0.64 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2waq s THR 348 Cb -0.37 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 2waq s THR 348 CO 0.32 -0.50 -0.10 0.68 -0.54 0.00 0.00 174.62 174.48 2waq s VAL 349 N -2.21 3.36 -0.96 2.29 -7.23 -0.69 -4.94 120.40 110.01 2waq s VAL 349 Ca 0.04 -0.57 -0.19 0.00 -1.81 0.00 0.00 61.98 59.45 2waq s VAL 349 Cb -0.04 -2.41 0.13 0.00 0.56 0.00 0.00 36.38 34.61 2waq s VAL 349 CO 0.00 0.54 1.19 -2.16 -0.31 0.00 0.00 175.10 174.36 2waq s PRO 350 N 0.02 3.64 -0.12 4.82 0.04 -1.26 -1.88 135.00 140.26 2waq s PRO 350 Ca -0.03 -1.77 -0.18 0.00 0.04 0.00 0.00 61.00 59.07 2waq s PRO 350 Cb -0.14 -4.98 -0.04 0.00 0.04 0.00 0.00 34.50 29.38 2waq s PRO 350 CO 0.04 -1.82 0.46 -2.00 0.04 0.00 0.00 177.00 173.71 2waq s GLU 351 N 2.84 4.33 0.33 4.56 2.12 -0.99 -4.90 118.70 126.98 2waq s GLU 351 Ca 0.35 0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.83 2waq s GLU 351 Cb -0.04 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 2waq s GLU 351 CO -0.09 0.17 0.95 1.03 -0.54 0.00 0.00 175.26 176.78 2waq s ARG 352 N 0.59 4.55 -0.11 4.30 0.52 -1.26 -1.76 118.95 125.77 2waq s ARG 352 Ca 0.25 1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 2waq s ARG 352 Cb -0.15 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2waq s ARG 352 CO 0.10 0.25 1.25 0.42 0.02 0.00 0.00 175.30 177.34 2waq s ILE 353 N -1.65 4.23 0.18 1.52 1.09 -0.92 -4.94 121.20 120.71 2waq s ILE 353 Ca 0.51 1.52 0.10 0.00 -1.10 0.00 0.00 60.65 61.68 2waq s ILE 353 Cb -0.18 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 2waq s ILE 353 CO 0.23 -0.08 -0.19 0.42 -0.10 0.00 0.00 174.94 175.23 2waq s THR 354 N 2.96 2.68 -2.00 2.92 -4.23 -1.26 -4.46 115.64 112.24 2waq s THR 354 Ca 0.56 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2waq s THR 354 Cb -0.24 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.35 2waq s THR 354 CO 0.18 -0.09 0.41 -2.65 -0.54 0.00 0.00 174.62 171.93 2waq n PRO 355 N 0.26 0.06 0.00 3.99 -0.02 -1.26 -2.34 135.00 135.69 2waq n PRO 355 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2waq n PRO 355 Cb 0.55 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 2waq n PRO 355 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2waq n TRP 356 N -0.81 0.00 -1.04 6.00 2.14 -1.26 -4.69 117.44 117.78 2waq n TRP 356 Ca 0.01 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.63 2waq n TRP 356 Cb 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 31.31 30.58 2waq n TRP 356 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 2waq n ASN 357 N -0.60 1.61 0.04 -0.67 6.94 -0.99 -4.87 115.26 116.72 2waq n ASN 357 Ca 0.00 -2.48 -0.12 0.00 -0.02 0.00 0.00 54.58 51.96 2waq n ASN 357 Cb 0.01 -0.26 -0.07 0.00 -2.36 0.00 0.00 39.78 37.10 2waq n ASN 357 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2waq h ILE 358 N 1.68 1.02 0.00 1.53 6.09 -1.75 -2.59 117.51 123.48 2waq h ILE 358 Ca 0.00 -0.08 -0.04 0.00 -1.37 0.00 0.00 64.86 63.37 2waq h ILE 358 Cb 0.98 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.34 2waq h ILE 358 CO 0.00 0.02 -0.20 -0.08 -3.07 0.00 0.00 178.15 174.82 2waq h GLU 359 N -0.04 0.00 -0.16 2.19 4.57 -1.89 0.05 114.58 119.30 2waq h GLU 359 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2waq h GLU 359 Cb 0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2waq h GLU 359 CO 0.00 0.20 -0.16 -0.22 -1.18 0.00 0.00 179.01 177.65 2waq h LYS 360 N 0.00 0.38 0.00 1.92 3.64 -1.88 -3.01 116.57 117.62 2waq h LYS 360 Ca -0.00 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.03 2waq h LYS 360 Cb 0.58 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2waq h LYS 360 CO 0.03 0.77 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.24 2waq h LEU 361 N 0.02 0.00 -1.55 5.20 4.07 -1.10 -3.03 115.31 118.92 2waq h LEU 361 Ca 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 2waq h LEU 361 Cb 0.70 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2waq h LEU 361 CO 0.04 0.66 -0.08 0.03 -1.08 0.00 0.00 178.44 178.01 2waq h ARG 362 N 0.00 0.18 -0.32 1.13 3.08 -1.04 0.34 114.38 117.74 2waq h ARG 362 Ca -0.01 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 2waq h ARG 362 Cb 1.29 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2waq h ARG 362 CO 0.09 0.28 -0.44 0.37 -1.07 0.00 0.00 179.97 179.20 2waq h GLN 363 N 0.18 0.87 -0.25 0.04 5.75 -1.41 -2.55 115.11 117.74 2waq h GLN 363 Ca 0.04 -0.50 -0.11 0.00 -0.15 0.00 0.00 58.65 57.93 2waq h GLN 363 Cb 0.27 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 2waq h GLN 363 CO 0.01 1.14 -0.28 0.74 -2.65 0.00 0.00 178.83 177.79 2waq h PHE 364 N 0.66 0.77 0.00 3.99 0.05 -1.33 -1.46 116.94 119.62 2waq h PHE 364 Ca 0.04 -0.24 -0.04 0.00 3.82 0.00 0.00 57.97 61.55 2waq h PHE 364 Cb 1.04 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.82 2waq h PHE 364 CO 0.07 0.97 -0.19 -0.24 -0.18 0.00 0.00 178.31 178.73 2waq h VAL 365 N 0.35 0.46 0.04 -0.55 3.04 -1.03 -2.28 116.25 116.29 2waq h VAL 365 Ca 0.04 -1.07 -0.27 0.00 -1.01 0.00 0.00 66.70 64.38 2waq h VAL 365 Cb 0.85 1.77 -0.03 0.00 -2.01 0.00 0.00 31.29 31.87 2waq h VAL 365 CO 0.07 0.19 -1.42 -0.29 -1.01 0.00 0.00 177.57 175.11 2waq h ILE 366 N 0.00 1.24 -0.14 3.17 -0.00 -1.43 -3.36 117.51 116.99 2waq h ILE 366 Ca -0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 64.86 61.89 2waq h ILE 366 Cb 0.75 2.68 -0.01 0.00 -0.00 0.00 0.00 36.82 40.24 2waq h ILE 366 CO 0.03 0.77 0.08 0.78 -0.00 0.00 0.00 178.15 179.81 2waq h ASN 367 N 0.02 0.14 -4.93 2.19 4.21 -1.03 -3.46 115.58 112.72 2waq h ASN 367 Ca -0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2waq h ASN 367 Cb 1.93 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 39.10 2waq h ASN 367 CO 0.12 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.98 2waq n GLY 368 N -1.13 -3.10 0.02 2.83 0.00 -1.06 -4.61 105.19 98.14 2waq n GLY 368 Ca -0.04 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.06 2waq n GLY 368 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2waq n PRO 369 N -0.04 0.07 -0.08 1.61 -0.04 -0.93 -2.37 135.00 133.22 2waq n PRO 369 Ca 0.00 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 2waq n PRO 369 Cb 0.00 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.77 2waq n PRO 369 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2waq n ASP 370 N -1.69 1.99 -4.71 3.54 10.43 -1.26 -4.86 116.55 119.99 2waq n ASP 370 Ca 0.06 0.20 -0.42 0.00 2.57 0.00 0.00 54.79 57.20 2waq n ASP 370 Cb 0.36 -0.77 -0.03 0.00 1.84 0.00 0.00 41.12 42.53 2waq n ASP 370 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2waq s LYS 371 N -2.49 4.51 0.16 -1.24 2.36 -1.26 -4.97 119.74 116.81 2waq s LYS 371 Ca -0.31 1.51 -0.29 0.00 -2.55 0.00 0.00 55.97 54.34 2waq s LYS 371 Cb 0.09 -3.45 -0.02 0.00 -1.05 0.00 0.00 37.83 33.40 2waq s LYS 371 CO 0.63 -0.14 1.55 2.35 1.55 0.00 0.00 175.35 181.28 2waq h TRP 372 N 6.86 -1.63 -1.36 4.03 7.01 -1.89 -3.25 115.95 125.71 2waq h TRP 372 Ca -0.40 0.11 -0.62 0.00 2.11 0.00 0.00 58.89 60.09 2waq h TRP 372 Cb 1.21 0.82 -0.11 0.00 -2.10 0.00 0.00 29.16 28.97 2waq h TRP 372 CO 0.68 -0.41 1.38 -1.25 -2.79 0.00 0.00 178.44 176.05 2waq s PRO 373 N -5.66 3.60 0.00 2.65 0.04 -1.26 -4.79 135.00 129.58 2waq s PRO 373 Ca -0.13 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 59.65 2waq s PRO 373 Cb 0.12 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2waq s PRO 373 CO 0.64 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2waq n GLY 374 N 6.59 3.54 3.17 0.56 0.00 -1.23 -4.56 105.19 113.26 2waq n GLY 374 Ca 0.31 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2waq n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq s ALA 375 N -1.14 -0.41 -0.14 4.61 0.00 -0.88 -1.12 121.76 122.68 2waq s ALA 375 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2waq s ALA 375 Cb 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 23.12 23.21 2waq s ALA 375 CO 0.00 -0.31 -0.05 0.09 0.00 0.00 0.00 175.76 175.48 2waq n ASN 376 N 0.94 2.34 -4.10 0.00 3.02 -0.89 -2.19 115.26 114.37 2waq n ASN 376 Ca -0.20 -0.04 -0.08 0.00 -0.03 0.00 0.00 54.58 54.23 2waq n ASN 376 Cb 0.58 0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 39.91 2waq n ASN 376 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2waq s TYR 377 N -2.31 0.59 -0.13 3.10 2.02 -1.25 -1.44 117.35 117.93 2waq s TYR 377 Ca -0.14 -1.01 -0.04 0.00 -0.37 0.00 0.00 57.07 55.51 2waq s TYR 377 Cb 0.05 -0.41 0.06 0.00 -0.40 0.00 0.00 41.96 41.25 2waq s TYR 377 CO 0.44 -0.32 0.12 0.54 -1.57 0.00 0.00 175.55 174.76 2waq s VAL 378 N -3.75 -0.16 -0.27 0.71 0.11 -1.16 -0.35 120.40 115.53 2waq s VAL 378 Ca 0.07 0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 58.91 2waq s VAL 378 Cb 0.07 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2waq s VAL 378 CO -0.08 -0.10 0.96 -0.63 -3.33 0.00 0.00 175.10 171.92 2waq s ILE 379 N 2.20 4.68 0.77 7.04 1.01 0.84 -2.81 121.20 134.94 2waq s ILE 379 Ca 0.04 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.27 2waq s ILE 379 Cb -0.14 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.11 2waq s ILE 379 CO -0.08 -0.26 1.08 -0.13 0.00 0.00 0.00 174.94 175.56 2waq s ARG 380 N 3.21 2.29 0.44 2.79 0.52 -0.66 -0.30 118.95 127.23 2waq s ARG 380 Ca 0.40 0.90 0.29 0.00 -0.52 0.00 0.00 55.73 56.81 2waq s ARG 380 Cb -0.14 -1.92 1.59 0.00 0.52 0.00 0.00 34.95 35.00 2waq s ARG 380 CO 0.10 -1.54 1.90 -1.00 0.02 0.00 0.00 175.30 174.78 2waq h PRO 381 N -1.04 0.00 -0.23 3.54 0.13 -1.90 -1.39 132.00 131.10 2waq h PRO 381 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2waq h PRO 381 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2waq h PRO 381 CO 0.56 0.00 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.69 2waq h ASP 382 N 0.00 0.41 0.00 1.44 5.19 -1.92 -3.47 116.42 118.07 2waq h ASP 382 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2waq h ASP 382 Cb 0.01 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2waq h ASP 382 CO 0.00 0.62 0.00 0.61 -3.12 0.00 0.00 179.24 177.35 2waq n GLY 383 N -0.54 0.60 3.81 2.75 0.00 -0.52 -5.09 105.19 106.20 2waq n GLY 383 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2waq n GLY 383 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2waq s ARG 384 N -0.95 4.21 -0.04 1.61 3.52 -1.26 -4.86 118.95 121.17 2waq s ARG 384 Ca 0.00 0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 56.34 2waq s ARG 384 Cb 0.00 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2waq s ARG 384 CO 0.00 0.57 0.08 0.50 -0.81 0.00 0.00 175.30 175.64 2waq s ARG 385 N -1.39 3.13 -0.16 5.12 3.52 -1.26 -1.65 118.95 126.26 2waq s ARG 385 Ca 0.33 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.54 2waq s ARG 385 Cb -0.19 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 2waq s ARG 385 CO 0.20 0.68 -0.17 0.42 -0.81 0.00 0.00 175.30 175.63 2waq s ILE 386 N -1.11 2.49 -0.52 4.11 -1.09 -1.12 -5.00 121.20 118.96 2waq s ILE 386 Ca 0.20 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 57.58 2waq s ILE 386 Cb -0.12 -2.05 0.05 0.00 -1.58 0.00 0.00 42.46 38.76 2waq s ILE 386 CO 0.10 0.52 0.76 -0.62 -1.23 0.00 0.00 174.94 174.47 2waq s ASP 387 N 0.91 6.28 0.33 3.58 3.68 -1.26 -2.99 116.67 127.19 2waq s ASP 387 Ca -0.04 -0.65 0.26 0.00 2.13 0.00 0.00 52.55 54.25 2waq s ASP 387 Cb -0.15 -2.35 1.06 0.00 -1.45 0.00 0.00 42.92 40.03 2waq s ASP 387 CO -0.02 -1.03 1.78 -0.07 0.13 0.00 0.00 175.17 175.96 2waq h LEU 388 N 10.25 0.00 -0.91 -1.34 3.38 -1.59 -2.97 115.31 122.13 2waq h LEU 388 Ca -0.27 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.81 2waq h LEU 388 Cb 1.09 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 2waq h LEU 388 CO 1.02 0.00 0.55 -0.09 0.09 0.00 0.00 178.44 180.00 2waq h ARG 389 N 0.00 0.86 -3.24 1.13 9.65 -1.91 -3.35 114.38 117.51 2waq h ARG 389 Ca 0.00 -0.05 -0.61 0.00 -1.10 0.00 0.00 59.98 58.22 2waq h ARG 389 Cb 0.42 -0.19 -0.40 0.00 -1.39 0.00 0.00 29.97 28.41 2waq h ARG 389 CO 0.00 0.57 -0.74 1.52 2.80 0.00 0.00 179.97 184.12 2waq s TYR 390 N -6.00 2.00 0.00 2.20 -0.85 -1.12 -5.05 117.35 108.53 2waq s TYR 390 Ca -0.12 -2.26 0.02 0.00 -0.52 0.00 0.00 57.07 54.18 2waq s TYR 390 Cb 0.21 -1.90 -0.01 0.00 0.38 0.00 0.00 41.96 40.64 2waq s TYR 390 CO 0.79 -0.82 -0.05 0.14 -1.52 0.00 0.00 175.55 174.09 2waq s VAL 391 N 0.75 0.40 -0.60 -3.49 -7.23 -1.26 -4.85 120.40 104.12 2waq s VAL 391 Ca 0.15 -0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 59.72 2waq s VAL 391 Cb -0.22 -0.36 0.04 0.00 0.56 0.00 0.00 36.38 36.39 2waq s VAL 391 CO -0.07 0.03 1.06 -0.54 -0.31 0.00 0.00 175.10 175.27 2waq s LYS 392 N -0.35 3.32 -0.01 4.82 1.02 -1.26 -4.58 119.74 122.71 2waq s LYS 392 Ca -0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 2waq s LYS 392 Cb -0.03 -4.09 0.01 0.00 -0.52 0.00 0.00 37.83 33.20 2waq s LYS 392 CO -0.00 -1.68 0.03 -3.47 -0.92 0.00 0.00 175.35 169.31 2waq n ASP 393 N 8.03 -7.05 -0.08 2.83 2.03 -1.26 -4.92 116.55 116.13 2waq n ASP 393 Ca 0.03 1.46 0.13 0.00 0.52 0.00 0.00 54.79 56.93 2waq n ASP 393 Cb 0.48 -4.45 0.42 0.00 -0.72 0.00 0.00 41.12 36.84 2waq n ASP 393 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2waq n ARG 394 N 1.48 0.35 0.04 -0.67 0.63 -1.26 -3.62 116.66 113.61 2waq n ARG 394 Ca -0.05 -0.16 0.13 0.00 -0.92 0.00 0.00 57.85 56.84 2waq n ARG 394 Cb 0.08 -1.50 0.51 0.00 0.45 0.00 0.00 32.46 32.01 2waq n ARG 394 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2waq n LYS 395 N -1.18 0.09 0.09 -0.14 4.81 -1.26 -3.55 118.16 117.01 2waq n LYS 395 Ca 0.09 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.52 2waq n LYS 395 Cb 0.33 -1.62 -0.08 0.00 0.02 0.00 0.00 35.03 33.68 2waq n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2waq h GLU 396 N 0.00 -0.19 0.00 1.64 5.08 -1.91 -3.22 114.58 115.97 2waq h GLU 396 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2waq h GLU 396 Cb 0.53 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2waq h GLU 396 CO 0.00 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 2waq n LEU 397 N -5.06 0.14 -0.15 1.33 4.77 -1.23 -2.25 117.00 114.55 2waq n LEU 397 Ca -0.09 0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 2waq n LEU 397 Cb 0.19 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2waq n LEU 397 CO 0.33 -0.35 0.95 0.00 -1.33 0.00 0.00 177.39 176.98 2waq h ALA 398 N 2.39 0.57 -0.50 -1.18 0.00 -1.71 -2.68 119.26 116.16 2waq h ALA 398 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2waq h ALA 398 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2waq h ALA 398 CO 0.00 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 2waq n SER 399 N -4.63 3.92 -0.01 0.00 3.41 -0.95 -4.01 113.62 111.34 2waq n SER 399 Ca 0.01 -2.39 0.04 0.00 -0.26 0.00 0.00 58.87 56.26 2waq n SER 399 Cb 0.13 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 2waq n SER 399 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2waq n THR 400 N 0.78 0.11 -2.12 6.66 -1.04 -1.08 -5.01 114.28 112.59 2waq n THR 400 Ca 0.20 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 2waq n THR 400 Cb 0.75 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.33 2waq n THR 400 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2waq s LEU 401 N -3.88 4.41 0.36 -4.42 1.43 -1.03 -5.01 118.68 110.53 2waq s LEU 401 Ca -0.04 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 55.46 2waq s LEU 401 Cb 0.06 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2waq s LEU 401 CO 0.42 -0.60 0.74 0.00 0.23 0.00 0.00 176.35 177.14 2waq s ALA 402 N -0.13 -0.69 0.19 4.21 0.00 -1.26 -5.07 121.76 119.00 2waq s ALA 402 Ca 0.57 -0.74 -0.33 0.00 0.00 0.00 0.00 51.96 51.46 2waq s ALA 402 Cb -0.39 0.76 -0.15 0.00 0.00 0.00 0.00 23.12 23.34 2waq s ALA 402 CO 0.43 -0.98 1.25 -2.30 0.00 0.00 0.00 175.76 174.16 2waq n PRO 403 N -0.51 1.45 0.00 0.00 -0.02 -1.26 -2.58 135.00 132.07 2waq n PRO 403 Ca -0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2waq n PRO 403 Cb 0.60 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2waq n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2waq n GLY 404 N 2.12 3.23 3.75 -1.23 0.00 -1.26 -4.95 105.19 106.84 2waq n GLY 404 Ca 0.14 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 2waq n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2waq s TYR 405 N -0.08 2.41 -0.19 1.61 1.51 -1.06 -4.04 117.35 117.50 2waq s TYR 405 Ca 0.00 1.57 -0.02 0.00 -1.01 0.00 0.00 57.07 57.61 2waq s TYR 405 Cb 0.00 -3.28 0.06 0.00 -0.11 0.00 0.00 41.96 38.63 2waq s TYR 405 CO 0.00 -2.02 0.02 0.08 -1.11 0.00 0.00 175.55 172.52 2waq s VAL 406 N -2.21 0.60 -0.30 0.71 1.01 0.58 -2.16 120.40 118.64 2waq s VAL 406 Ca 0.70 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 2waq s VAL 406 Cb -0.24 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2waq s VAL 406 CO 0.43 -0.15 0.73 -0.69 0.00 0.00 0.00 175.10 175.42 2waq s VAL 407 N 1.83 4.85 -0.91 2.92 1.01 -0.72 -0.11 120.40 129.27 2waq s VAL 407 Ca -0.01 1.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 2waq s VAL 407 Cb -0.17 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2waq s VAL 407 CO -0.08 -0.18 1.72 -1.61 0.00 0.00 0.00 175.10 174.96 2waq s GLU 408 N 2.81 2.96 0.08 2.72 2.02 0.53 -2.35 118.70 127.47 2waq s GLU 408 Ca 0.30 -0.50 -0.17 0.00 0.02 0.00 0.00 54.97 54.62 2waq s GLU 408 Cb -0.15 -5.05 -0.07 0.00 0.10 0.00 0.00 34.13 28.97 2waq s GLU 408 CO 0.12 -2.83 0.53 0.50 0.02 0.00 0.00 175.26 173.59 2waq s ARG 409 N 6.22 4.08 0.86 1.61 3.52 -0.79 -2.11 118.95 132.35 2waq s ARG 409 Ca 0.59 0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 56.65 2waq s ARG 409 Cb -0.05 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.24 2waq s ARG 409 CO -0.01 0.61 0.73 0.72 -0.81 0.00 0.00 175.30 176.53 2waq n HIS 410 N 1.48 -0.34 -1.82 5.12 8.25 -0.27 -1.70 115.22 125.94 2waq n HIS 410 Ca -0.10 0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2waq n HIS 410 Cb 0.51 -1.92 -0.03 0.00 1.12 0.00 0.00 29.99 29.67 2waq n HIS 410 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2waq s LEU 411 N -2.74 4.09 0.30 2.41 1.02 -0.98 -4.71 118.68 118.08 2waq s LEU 411 Ca 0.64 2.19 0.09 0.00 0.02 0.00 0.00 54.13 57.07 2waq s LEU 411 Cb -0.26 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.38 2waq s LEU 411 CO 0.60 -1.26 0.08 0.42 0.02 0.00 0.00 176.35 176.21 2waq s THR 412 N 5.34 3.27 -0.52 5.49 -4.23 -1.26 -4.89 115.64 118.82 2waq s THR 412 Ca 0.84 -1.78 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 2waq s THR 412 Cb -0.35 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.46 2waq s THR 412 CO 0.35 -0.27 2.43 0.47 -0.54 0.00 0.00 174.62 177.06 2waq n ASP 413 N -1.04 2.15 0.00 3.99 10.43 -1.26 -2.37 116.55 128.46 2waq n ASP 413 Ca -0.05 -0.37 0.00 0.00 2.57 0.00 0.00 54.79 56.95 2waq n ASP 413 Cb 0.60 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 42.06 2waq n ASP 413 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2waq n GLY 414 N 6.06 1.12 3.65 0.44 0.00 -0.12 -4.97 105.19 111.38 2waq n GLY 414 Ca 0.40 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.97 2waq n GLY 414 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2waq n ASP 415 N 0.00 2.27 -4.67 1.61 8.00 -1.00 -4.15 116.55 118.61 2waq n ASP 415 Ca 0.00 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.24 2waq n ASP 415 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 39.69 2waq n ASP 415 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2waq s VAL 416 N -0.48 4.79 -0.01 2.53 1.01 -1.26 -0.68 120.40 126.31 2waq s VAL 416 Ca 0.64 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.53 2waq s VAL 416 Cb -0.67 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.46 2waq s VAL 416 CO 0.55 -0.04 -0.07 -0.69 0.00 0.00 0.00 175.10 174.85 2waq s VAL 417 N 2.40 0.52 -0.06 2.92 1.01 0.41 -4.60 120.40 123.01 2waq s VAL 417 Ca 0.43 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2waq s VAL 417 Cb -0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2waq s VAL 417 CO 0.13 0.15 0.90 -0.76 0.00 0.00 0.00 175.10 175.52 2waq s LEU 418 N -0.11 4.31 -0.21 3.92 1.02 -0.48 -0.34 118.68 126.79 2waq s LEU 418 Ca 0.02 1.46 0.01 0.00 0.02 0.00 0.00 54.13 55.64 2waq s LEU 418 Cb -0.03 -3.42 0.03 0.00 0.02 0.00 0.00 46.19 42.79 2waq s LEU 418 CO -0.00 -0.29 -0.15 0.12 0.02 0.00 0.00 176.35 176.05 2waq s PHE 419 N 1.33 2.94 -0.07 0.29 5.36 -0.80 -1.03 117.98 126.00 2waq s PHE 419 Ca 0.46 -1.77 0.04 0.00 -0.96 0.00 0.00 56.93 54.70 2waq s PHE 419 Cb -0.19 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 2waq s PHE 419 CO 0.22 -0.80 -0.19 1.21 -1.46 0.00 0.00 175.22 174.19 2waq s ASN 420 N 1.26 2.43 -0.06 6.13 3.04 0.33 -3.11 114.94 124.96 2waq s ASN 420 Ca 0.01 -0.42 0.06 0.00 0.04 0.00 0.00 52.86 52.55 2waq s ASN 420 Cb -0.15 -0.95 -0.01 0.00 -1.54 0.00 0.00 41.25 38.60 2waq s ASN 420 CO -0.10 0.13 -0.24 -0.60 -3.04 0.00 0.00 177.10 173.25 2waq s ARG 421 N 0.30 2.47 0.05 0.43 3.52 -1.21 0.97 118.95 125.48 2waq s ARG 421 Ca -0.12 -0.86 0.05 0.00 -0.13 0.00 0.00 55.73 54.67 2waq s ARG 421 Cb -0.15 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 2waq s ARG 421 CO 0.05 0.35 -0.05 1.14 -0.81 0.00 0.00 175.30 175.98 2waq s GLN 422 N -0.10 2.46 0.31 5.12 -2.07 -1.26 -4.10 119.66 120.02 2waq s GLN 422 Ca -0.05 -0.82 -0.27 0.00 -1.82 0.00 0.00 55.36 52.40 2waq s GLN 422 Cb -0.14 -2.47 -0.10 0.00 -1.09 0.00 0.00 33.01 29.21 2waq s GLN 422 CO 0.04 0.56 0.95 -2.14 -1.32 0.00 0.00 175.29 173.38 2waq s PRO 423 N -1.87 4.63 -0.82 9.60 0.02 -1.26 -5.10 135.00 140.20 2waq s PRO 423 Ca 0.21 1.38 -0.19 0.00 0.02 0.00 0.00 61.00 62.42 2waq s PRO 423 Cb -0.11 -2.90 0.13 0.00 0.02 0.00 0.00 34.50 31.63 2waq s PRO 423 CO 0.12 0.32 0.98 -1.12 -0.33 0.00 0.00 177.00 176.98 2waq s SER 424 N -1.51 6.51 0.04 2.53 0.01 -1.26 -4.87 113.70 115.15 2waq s SER 424 Ca 0.48 -1.89 -0.16 0.00 1.31 0.00 0.00 55.95 55.70 2waq s SER 424 Cb -0.20 -2.36 -0.33 0.00 0.21 0.00 0.00 66.02 63.34 2waq s SER 424 CO 0.26 -1.06 1.05 -0.07 0.41 0.00 0.00 173.24 173.83 2waq h LEU 425 N 10.09 0.87 -9.97 2.44 4.07 -1.95 -3.47 115.31 117.40 2waq h LEU 425 Ca 0.01 -0.88 -0.54 0.00 0.08 0.00 0.00 57.88 56.55 2waq h LEU 425 Cb 1.04 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 42.44 2waq h LEU 425 CO 1.07 1.67 -0.46 -2.28 -1.08 0.00 0.00 178.44 177.35 2waq s HIS 426 N -2.78 2.64 0.18 1.13 2.46 -1.26 -5.04 115.29 112.63 2waq s HIS 426 Ca -0.09 -0.55 0.00 0.00 0.47 0.00 0.00 55.06 54.89 2waq s HIS 426 Cb 0.05 -2.00 0.07 0.00 -0.13 0.00 0.00 32.58 30.56 2waq s HIS 426 CO 0.94 0.11 1.44 0.07 -2.47 0.00 0.00 174.74 174.82 2waq h ARG 427 N 1.32 0.32 0.00 2.88 0.11 -1.97 -3.03 114.38 114.01 2waq h ARG 427 Ca -0.42 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.38 2waq h ARG 427 Cb 1.26 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2waq h ARG 427 CO 0.66 0.93 0.12 0.82 0.10 0.00 0.00 179.97 182.60 2waq h ILE 428 N 0.21 0.00 0.00 0.08 1.08 -1.96 -2.16 117.51 114.76 2waq h ILE 428 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2waq h ILE 428 Cb 1.33 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2waq h ILE 428 CO 0.12 0.00 0.00 -1.20 -0.69 0.00 0.00 178.15 176.38 2waq n SER 429 N -2.27 0.03 -3.17 1.72 7.64 -1.15 -4.02 113.62 112.40 2waq n SER 429 Ca -0.01 -1.08 0.03 0.00 1.01 0.00 0.00 58.87 58.82 2waq n SER 429 Cb 0.15 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 2waq n SER 429 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2waq s MET 430 N -1.94 0.61 0.49 1.43 -2.45 -0.81 -3.36 119.30 113.26 2waq s MET 430 Ca 0.00 0.33 0.05 0.00 -1.25 0.00 0.00 55.69 54.82 2waq s MET 430 Cb 0.00 0.18 -0.01 0.00 1.25 0.00 0.00 34.83 36.25 2waq s MET 430 CO 0.00 -1.08 0.20 -1.64 1.05 0.00 0.00 175.02 173.55 2waq s MET 431 N 2.58 2.22 0.41 4.11 1.00 -1.18 -4.90 119.30 123.54 2waq s MET 431 Ca 0.11 -2.08 -0.11 0.00 0.00 0.00 0.00 55.69 53.62 2waq s MET 431 Cb -0.09 -1.88 -0.06 0.00 0.00 0.00 0.00 34.83 32.80 2waq s MET 431 CO -0.22 -0.36 0.78 0.00 0.00 0.00 0.00 175.02 175.22 2waq s ALA 432 N -2.74 3.34 0.02 3.03 0.00 0.12 -1.91 121.76 123.61 2waq s ALA 432 Ca 0.28 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2waq s ALA 432 Cb 0.01 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.42 2waq s ALA 432 CO 0.16 -0.02 0.22 -1.01 0.00 0.00 0.00 175.76 175.11 2waq s HIS 433 N -2.38 -0.02 -0.21 0.00 3.76 0.53 -3.29 115.29 113.69 2waq s HIS 433 Ca 0.51 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 55.20 2waq s HIS 433 Cb -0.10 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.55 2waq s HIS 433 CO 0.31 -0.40 0.22 1.03 -0.85 0.00 0.00 174.74 175.06 2waq s ARG 434 N -2.03 4.16 -0.07 1.40 1.81 0.57 -0.44 118.95 124.35 2waq s ARG 434 Ca -0.09 -0.10 -0.30 0.00 -1.72 0.00 0.00 55.73 53.53 2waq s ARG 434 Cb -0.03 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.94 2waq s ARG 434 CO -0.01 0.15 1.42 0.08 -0.68 0.00 0.00 175.30 176.26 2waq s VAL 435 N 0.79 3.88 -0.35 3.52 1.01 0.15 0.45 120.40 129.85 2waq s VAL 435 Ca 0.12 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.29 2waq s VAL 435 Cb -0.13 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.61 2waq s VAL 435 CO 0.03 -0.06 0.06 -0.60 0.00 0.00 0.00 175.10 174.53 2waq s ARG 436 N 3.20 1.48 0.01 2.72 6.06 0.78 -0.94 118.95 132.25 2waq s ARG 436 Ca 0.63 -1.88 -0.30 0.00 -2.50 0.00 0.00 55.73 51.67 2waq s ARG 436 Cb -0.29 -3.18 -0.05 0.00 0.06 0.00 0.00 34.95 31.50 2waq s ARG 436 CO 0.23 -0.95 1.27 0.08 -2.50 0.00 0.00 175.30 173.43 2waq s VAL 437 N 0.87 3.98 0.08 7.11 1.01 -1.26 -1.01 120.40 131.19 2waq s VAL 437 Ca 0.11 1.37 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 2waq s VAL 437 Cb -0.19 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.35 2waq s VAL 437 CO -0.08 0.04 0.46 -1.48 0.00 0.00 0.00 175.10 174.04 2waq s LEU 438 N 1.82 0.14 0.49 3.92 2.34 -0.70 -4.92 118.68 121.78 2waq s LEU 438 Ca 0.59 -0.05 -0.22 0.00 0.06 0.00 0.00 54.13 54.51 2waq s LEU 438 Cb -0.29 1.99 -0.08 0.00 -0.56 0.00 0.00 46.19 47.26 2waq s LEU 438 CO 0.26 -0.78 1.10 1.17 -1.06 0.00 0.00 176.35 177.04 2waq n LYS 439 N 0.14 1.39 0.00 1.48 4.81 -1.26 -4.04 118.16 120.68 2waq n LYS 439 Ca -0.17 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2waq n LYS 439 Cb 0.62 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2waq n LYS 439 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2waq n GLY 440 N 1.07 0.89 0.32 3.14 0.00 -1.26 -4.87 105.19 104.48 2waq n GLY 440 Ca 0.10 -2.24 0.09 0.00 0.00 0.00 0.00 46.02 43.97 2waq n GLY 440 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2waq n LEU 441 N 0.00 2.77 -4.33 0.99 4.77 -1.26 -4.43 117.00 115.51 2waq n LEU 441 Ca 0.00 -3.14 -0.25 0.00 -0.03 0.00 0.00 56.01 52.60 2waq n LEU 441 Cb 0.00 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.50 2waq n LEU 441 CO 0.00 0.75 -0.52 0.42 -1.33 0.00 0.00 177.39 176.71 2waq s THR 442 N -2.90 1.91 0.21 -5.08 -4.23 -1.26 -4.60 115.64 99.70 2waq s THR 442 Ca 0.35 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 2waq s THR 442 Cb 0.30 -1.77 -0.08 0.00 1.34 0.00 0.00 72.50 72.29 2waq s THR 442 CO 0.04 -0.10 1.00 -0.36 -0.54 0.00 0.00 174.62 174.65 2waq s PHE 443 N -1.41 3.83 -0.27 3.99 2.99 -0.73 -4.24 117.98 122.14 2waq s PHE 443 Ca 0.12 1.81 -0.09 0.00 0.00 0.00 0.00 56.93 58.77 2waq s PHE 443 Cb -0.09 -3.09 -0.04 0.00 0.00 0.00 0.00 43.02 39.80 2waq s PHE 443 CO 0.06 0.08 0.12 1.03 -0.00 0.00 0.00 175.22 176.51 2waq s ARG 444 N -0.90 3.76 -0.26 0.44 1.81 -0.37 -1.26 118.95 122.17 2waq s ARG 444 Ca 0.44 -0.42 -0.02 0.00 -1.72 0.00 0.00 55.73 54.01 2waq s ARG 444 Cb -0.27 -3.48 0.03 0.00 -0.45 0.00 0.00 34.95 30.78 2waq s ARG 444 CO 0.34 -0.20 -0.04 -1.17 -0.68 0.00 0.00 175.30 173.55 2waq s LEU 445 N 1.68 3.38 0.28 2.53 2.96 -1.13 -2.39 118.68 125.98 2waq s LEU 445 Ca 0.07 -0.96 -0.28 0.00 -0.22 0.00 0.00 54.13 52.73 2waq s LEU 445 Cb -0.16 -1.68 -0.14 0.00 0.50 0.00 0.00 46.19 44.71 2waq s LEU 445 CO 0.07 -0.16 1.04 -3.20 -1.32 0.00 0.00 176.35 172.78 2waq n ASN 446 N 4.67 1.41 0.26 3.68 2.85 -1.26 -3.55 115.26 123.31 2waq n ASN 446 Ca -0.16 1.18 0.13 0.00 -0.11 0.00 0.00 54.58 55.62 2waq n ASN 446 Cb 0.46 -1.30 0.71 0.00 1.24 0.00 0.00 39.78 40.90 2waq n ASN 446 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2waq h LEU 447 N 2.18 0.00 -0.63 1.20 3.38 -1.92 -0.79 115.31 118.73 2waq h LEU 447 Ca -0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 2waq h LEU 447 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2waq h LEU 447 CO 0.62 0.12 -0.27 -0.07 0.09 0.00 0.00 178.44 178.93 2waq h LEU 448 N 0.00 0.00 -4.64 1.67 3.38 -1.90 -3.32 115.31 110.51 2waq h LEU 448 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 2waq h LEU 448 Cb 0.38 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.85 2waq h LEU 448 CO 0.02 0.27 0.99 0.52 0.09 0.00 0.00 178.44 180.32 2waq n VAL 449 N -3.29 3.60 -0.13 1.22 0.31 -0.30 -3.14 118.33 116.61 2waq n VAL 449 Ca 0.01 -3.81 -0.27 0.00 -0.01 0.00 0.00 64.34 60.26 2waq n VAL 449 Cb 0.53 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 2waq n VAL 449 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2waq h PRO 451 N -0.90 0.37 -0.81 0.00 0.11 -1.79 1.24 132.00 130.22 2waq h PRO 451 Ca -0.64 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.42 2waq h PRO 451 Cb 1.56 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.55 2waq h PRO 451 CO -0.39 0.25 0.38 -1.35 -0.21 0.00 0.00 178.00 176.68 2waq h PRO 452 N 0.38 1.17 -0.02 1.05 0.11 -1.82 -2.79 132.00 130.09 2waq h PRO 452 Ca 0.52 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2waq h PRO 452 Cb 1.36 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2waq h PRO 452 CO -0.21 0.90 -0.19 0.66 -0.21 0.00 0.00 178.00 178.95 2waq n TYR 453 N -4.31 0.00 -3.89 0.65 4.02 -0.14 -4.00 117.16 109.50 2waq n TYR 453 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.64 2waq n TYR 453 Cb 0.14 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 39.44 2waq n TYR 453 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2waq n ASN 454 N 0.19 -4.63 -3.96 7.72 5.15 0.41 -4.89 115.26 115.26 2waq n ASN 454 Ca 0.14 -1.08 -0.29 0.00 -0.60 0.00 0.00 54.58 52.74 2waq n ASN 454 Cb 0.44 -1.73 -0.17 0.00 -0.53 0.00 0.00 39.78 37.80 2waq n ASN 454 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2waq s ALA 455 N -3.19 1.63 0.66 5.20 0.00 -1.10 -5.00 121.76 119.95 2waq s ALA 455 Ca 0.19 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 2waq s ALA 455 Cb -0.10 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 22.03 2waq s ALA 455 CO 0.92 -0.49 0.96 0.16 0.00 0.00 0.00 175.76 177.31 2waq s ASP 456 N 1.58 4.98 -0.83 0.00 1.47 -1.26 -4.86 116.67 117.75 2waq s ASP 456 Ca 0.04 0.38 0.01 0.00 1.18 0.00 0.00 52.55 54.16 2waq s ASP 456 Cb -0.13 -1.11 0.23 0.00 -0.34 0.00 0.00 42.92 41.56 2waq s ASP 456 CO -0.09 -1.46 0.79 0.49 0.68 0.00 0.00 175.17 175.58 2waq n PHE 457 N -2.78 3.72 -1.80 2.11 3.01 -1.26 -4.47 117.46 115.99 2waq n PHE 457 Ca 0.08 -4.02 0.00 0.00 1.01 0.00 0.00 57.45 54.51 2waq n PHE 457 Cb 0.60 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 2waq n PHE 457 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2waq n ASP 458 N 1.82 0.00 0.00 4.37 5.75 -1.26 -4.95 116.55 122.28 2waq n ASP 458 Ca 0.24 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 2waq n ASP 458 Cb 0.37 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2waq n ASP 458 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2waq n GLY 459 N 0.00 1.00 3.89 6.12 0.00 -1.26 -5.14 105.19 109.79 2waq n GLY 459 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2waq n GLY 459 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2waq s ASP 460 N -1.53 6.55 -0.00 1.61 1.11 -1.26 -5.05 116.67 118.09 2waq s ASP 460 Ca 0.00 0.87 0.03 0.00 0.18 0.00 0.00 52.55 53.62 2waq s ASP 460 Cb 0.00 -2.21 -0.01 0.00 1.07 0.00 0.00 42.92 41.78 2waq s ASP 460 CO 0.00 -0.15 -0.09 -1.61 1.18 0.00 0.00 175.17 174.50 2waq s GLU 461 N -3.19 0.71 0.20 8.23 2.02 -1.26 -2.35 118.70 123.07 2waq s GLU 461 Ca 0.46 -0.33 0.09 0.00 0.02 0.00 0.00 54.97 55.21 2waq s GLU 461 Cb -0.11 -0.68 -0.05 0.00 0.10 0.00 0.00 34.13 33.39 2waq s GLU 461 CO 0.25 0.19 -0.17 -1.64 0.02 0.00 0.00 175.26 173.91 2waq s MET 462 N -0.25 1.37 0.03 1.61 -1.94 -0.71 -4.79 119.30 114.62 2waq s MET 462 Ca 0.03 -1.56 -0.04 0.00 -1.71 0.00 0.00 55.69 52.42 2waq s MET 462 Cb -0.04 -1.30 -0.05 0.00 2.01 0.00 0.00 34.83 35.46 2waq s MET 462 CO -0.00 0.24 0.25 -0.80 -0.01 0.00 0.00 175.02 174.69 2waq s ASN 463 N -3.12 6.43 -0.43 3.03 -0.87 0.27 -2.75 114.94 117.51 2waq s ASN 463 Ca 0.21 0.45 0.02 0.00 -1.57 0.00 0.00 52.86 51.97 2waq s ASN 463 Cb -0.03 -2.04 0.14 0.00 -0.02 0.00 0.00 41.25 39.30 2waq s ASN 463 CO 0.08 0.21 0.25 -0.22 -2.57 0.00 0.00 177.10 174.85 2waq s LEU 464 N -2.08 2.24 0.24 0.60 1.98 0.72 -0.51 118.68 121.86 2waq s LEU 464 Ca 0.31 -2.60 -0.19 0.00 -2.89 0.00 0.00 54.13 48.76 2waq s LEU 464 Cb -0.13 -0.85 -0.08 0.00 0.66 0.00 0.00 46.19 45.79 2waq s LEU 464 CO 0.20 -0.26 0.74 -1.00 -1.89 0.00 0.00 176.35 174.14 2waq s HIS 465 N 0.44 3.62 -0.33 5.38 3.76 -0.19 -1.58 115.29 126.38 2waq s HIS 465 Ca 0.19 1.39 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 2waq s HIS 465 Cb -0.21 -2.63 0.10 0.00 1.11 0.00 0.00 32.58 30.95 2waq s HIS 465 CO -0.02 0.30 0.05 0.08 -0.85 0.00 0.00 174.74 174.30 2waq s VAL 466 N -1.58 2.13 0.41 -0.90 1.01 -0.70 -1.38 120.40 119.38 2waq s VAL 466 Ca 0.45 -2.23 -0.26 0.00 0.00 0.00 0.00 61.98 59.93 2waq s VAL 466 Cb -0.16 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.55 2waq s VAL 466 CO 0.21 -0.59 1.36 -0.81 0.00 0.00 0.00 175.10 175.26 2waq n PRO 467 N 4.32 2.21 -0.09 2.72 -0.04 -1.26 -4.88 135.00 137.98 2waq n PRO 467 Ca 0.03 0.78 -0.11 0.00 -0.04 0.00 0.00 63.50 64.16 2waq n PRO 467 Cb 0.42 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 2waq n PRO 467 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2waq n GLN 468 N 0.16 0.53 -1.58 0.54 1.13 -1.26 -4.77 117.38 112.12 2waq n GLN 468 Ca 0.05 0.21 -0.35 0.00 -1.94 0.00 0.00 57.00 54.97 2waq n GLN 468 Cb 0.39 -1.42 0.08 0.00 0.11 0.00 0.00 30.24 29.40 2waq n GLN 468 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2waq s SER 469 N -6.09 4.44 0.26 1.08 1.04 -1.26 -4.60 113.70 108.58 2waq s SER 469 Ca -0.30 2.39 -0.05 0.00 0.48 0.00 0.00 55.95 58.48 2waq s SER 469 Cb 0.05 -2.59 0.31 0.00 0.10 0.00 0.00 66.02 63.89 2waq s SER 469 CO 0.43 -2.10 1.93 -0.33 0.98 0.00 0.00 173.24 174.16 2waq h GLU 470 N 0.03 1.24 -0.09 4.02 4.39 -1.95 -1.76 114.58 120.46 2waq h GLU 470 Ca -0.49 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.13 2waq h GLU 470 Cb 1.30 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2waq h GLU 470 CO 0.51 0.83 0.04 0.93 -1.16 0.00 0.00 179.01 180.16 2waq h GLU 471 N 1.28 0.13 -0.62 2.33 5.08 -1.99 -2.47 114.58 118.32 2waq h GLU 471 Ca 0.34 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2waq h GLU 471 Cb -0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2waq h GLU 471 CO -0.07 0.22 0.34 0.00 -1.00 0.00 0.00 179.01 178.50 2waq h ALA 472 N 0.90 0.80 -0.05 3.43 0.00 -1.80 0.33 119.26 122.87 2waq h ALA 472 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2waq h ALA 472 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2waq h ALA 472 CO -0.00 0.31 0.02 0.82 0.00 0.00 0.00 179.25 180.40 2waq h ILE 473 N 0.85 1.10 -0.28 0.00 2.04 -1.37 -1.43 117.51 118.42 2waq h ILE 473 Ca 0.22 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 2waq h ILE 473 Cb 0.04 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2waq h ILE 473 CO -0.04 0.08 -0.28 0.00 0.00 0.00 0.00 178.15 177.92 2waq h ALA 474 N 0.91 0.98 -0.03 1.87 0.00 -1.16 -2.60 119.26 119.23 2waq h ALA 474 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2waq h ALA 474 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2waq h ALA 474 CO -0.00 0.60 -0.46 1.49 0.00 0.00 0.00 179.25 180.88 2waq h GLU 475 N 0.50 0.08 -0.98 0.00 4.81 -0.30 -2.17 114.58 116.52 2waq h GLU 475 Ca 0.06 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2waq h GLU 475 Cb 0.74 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.03 2waq h GLU 475 CO 0.06 0.52 0.20 0.00 -0.73 0.00 0.00 179.01 179.06 2waq n ALA 476 N -2.46 3.53 0.00 2.92 0.00 -0.55 -3.85 120.51 120.11 2waq n ALA 476 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2waq n ALA 476 Cb 0.49 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2waq n ALA 476 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2waq n LYS 477 N -0.05 0.87 0.05 0.00 4.81 -0.83 -4.38 118.16 118.63 2waq n LYS 477 Ca 0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.58 2waq n LYS 477 Cb 0.88 -0.69 -0.10 0.00 0.02 0.00 0.00 35.03 35.13 2waq n LYS 477 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2waq h GLU 478 N 0.00 0.00 0.00 1.64 3.07 -1.65 -3.35 114.58 114.29 2waq h GLU 478 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2waq h GLU 478 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2waq h GLU 478 CO 0.00 0.76 -1.57 -0.89 -1.40 0.00 0.00 179.01 175.91 2waq n ILE 479 N -3.22 0.02 -0.04 3.13 5.41 -1.25 -4.82 119.36 118.59 2waq n ILE 479 Ca -0.05 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.42 2waq n ILE 479 Cb 0.93 0.19 0.00 0.00 -0.71 0.00 0.00 39.64 40.06 2waq n ILE 479 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2waq n MET 480 N -1.94 3.35 -1.70 0.38 2.81 -1.26 -4.90 117.12 113.87 2waq n MET 480 Ca -0.03 -0.19 -0.42 0.00 -1.81 0.00 0.00 57.70 55.26 2waq n MET 480 Cb 0.34 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 32.19 2waq n MET 480 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2waq n LEU 481 N -0.53 3.77 0.03 4.03 4.77 -1.26 0.11 117.00 127.92 2waq n LEU 481 Ca 0.00 1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 57.01 2waq n LEU 481 Cb 0.01 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.55 2waq n LEU 481 CO 0.00 -0.62 0.85 0.58 -1.33 0.00 0.00 177.39 176.87 2waq h VAL 482 N 2.25 0.92 0.00 4.08 2.07 -1.87 -2.32 116.25 121.38 2waq h VAL 482 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2waq h VAL 482 Cb 1.29 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2waq h VAL 482 CO 0.61 0.00 0.00 1.12 0.02 0.00 0.00 177.57 179.32 2waq h HIS 483 N -0.03 0.00 -0.00 1.57 2.07 -1.91 -0.78 115.15 116.07 2waq h HIS 483 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2waq h HIS 483 Cb 0.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.04 2waq h HIS 483 CO -0.11 0.00 -0.44 1.17 -3.07 0.00 0.00 177.93 175.48 2waq n LYS 484 N -3.05 0.32 -1.52 5.12 4.81 -0.89 -4.19 118.16 118.77 2waq n LYS 484 Ca -0.02 -0.20 -0.07 0.00 -0.87 0.00 0.00 58.31 57.15 2waq n LYS 484 Cb 0.12 -1.50 0.10 0.00 0.02 0.00 0.00 35.03 33.76 2waq n LYS 484 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2waq n ASN 485 N -1.17 2.90 -0.14 3.14 3.02 -0.30 -4.85 115.26 117.86 2waq n ASN 485 Ca 0.08 -3.42 -0.12 0.00 -0.03 0.00 0.00 54.58 51.09 2waq n ASN 485 Cb 0.34 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2waq n ASN 485 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2waq h ILE 486 N 2.65 1.27 -3.55 2.41 2.04 -1.72 -3.44 117.51 117.17 2waq h ILE 486 Ca 0.11 -1.45 -0.52 0.00 1.00 0.00 0.00 64.86 64.00 2waq h ILE 486 Cb 1.34 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2waq h ILE 486 CO 0.33 0.49 0.29 0.27 0.00 0.00 0.00 178.15 179.53 2waq s ILE 487 N -4.57 4.48 0.15 -0.67 -4.36 -1.26 -1.88 121.20 113.09 2waq s ILE 487 Ca -0.11 1.92 -0.30 0.00 -0.26 0.00 0.00 60.65 61.90 2waq s ILE 487 Cb 0.12 -4.25 -0.07 0.00 1.25 0.00 0.00 42.46 39.51 2waq s ILE 487 CO 0.87 0.38 1.13 -0.89 0.24 0.00 0.00 174.94 176.67 2waq s THR 488 N -0.32 3.88 0.32 8.37 2.01 0.52 -4.91 115.64 125.51 2waq s THR 488 Ca 0.43 1.56 0.21 0.00 0.31 0.00 0.00 61.69 64.20 2waq s THR 488 Cb -0.23 -4.00 0.20 0.00 0.01 0.00 0.00 72.50 68.48 2waq s THR 488 CO 0.28 0.24 1.90 -0.65 -0.69 0.00 0.00 174.62 175.70 2waq h PRO 489 N 5.45 0.00 -0.17 4.92 0.11 -1.90 -3.21 132.00 137.20 2waq h PRO 489 Ca -0.44 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2waq h PRO 489 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2waq h PRO 489 CO 0.74 0.25 -0.49 -0.09 -0.21 0.00 0.00 178.00 178.21 2waq h ARG 490 N 0.00 0.46 -2.20 1.05 2.43 -1.93 -3.36 114.38 110.82 2waq h ARG 490 Ca -0.00 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 2waq h ARG 490 Cb 0.59 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 29.96 2waq h ARG 490 CO 0.03 0.85 0.09 1.52 -1.51 0.00 0.00 179.97 180.95 2waq s TYR 491 N -4.06 -0.58 -1.11 2.20 1.13 -1.21 -5.00 117.35 108.72 2waq s TYR 491 Ca -0.06 1.06 -0.23 0.00 -1.41 0.00 0.00 57.07 56.42 2waq s TYR 491 Cb 0.12 0.33 -0.08 0.00 -1.10 0.00 0.00 41.96 41.24 2waq s TYR 491 CO 0.82 -0.54 1.94 0.20 -2.51 0.00 0.00 175.55 175.46 2waq s GLY 492 N -1.01 0.16 0.05 5.49 0.00 -0.92 -3.82 107.32 107.26 2waq s GLY 492 Ca -0.10 -1.97 -0.27 0.00 0.00 0.00 0.00 44.72 42.38 2waq s GLY 492 CO 0.08 3.54 0.63 -0.32 0.00 0.00 0.00 173.10 177.03 2waq s GLY 493 N 6.94 -0.58 -0.21 0.20 0.00 -1.26 -4.50 107.32 107.91 2waq s GLY 493 Ca 0.69 0.90 -0.26 0.00 0.00 0.00 0.00 44.72 46.05 2waq s GLY 493 CO 0.09 0.56 0.87 2.56 0.00 0.00 0.00 173.10 177.18 2waq s PRO 494 N -2.38 4.24 0.32 2.90 0.04 -1.26 -0.35 135.00 138.51 2waq s PRO 494 Ca -0.05 1.06 0.23 0.00 0.04 0.00 0.00 61.00 62.28 2waq s PRO 494 Cb -0.00 -3.62 0.29 0.00 0.04 0.00 0.00 34.50 31.20 2waq s PRO 494 CO -0.01 -0.47 1.43 0.97 0.04 0.00 0.00 177.00 178.97 2waq h ILE 495 N 5.34 0.00 -3.63 0.56 2.10 -1.73 -1.99 117.51 118.16 2waq h ILE 495 Ca -0.25 -0.90 -0.69 0.00 1.08 0.00 0.00 64.86 64.10 2waq h ILE 495 Cb 1.10 1.72 -0.20 0.00 -1.09 0.00 0.00 36.82 38.35 2waq h ILE 495 CO 0.88 0.00 -0.47 -0.63 -1.08 0.00 0.00 178.15 176.85 2waq s ILE 496 N -3.24 5.17 0.19 2.19 1.01 -1.25 -4.38 121.20 120.89 2waq s ILE 496 Ca 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 2waq s ILE 496 Cb 0.08 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2waq s ILE 496 CO 0.70 -0.11 0.34 0.61 0.00 0.00 0.00 174.94 176.49 2waq n GLY 497 N 5.10 1.91 3.72 6.18 0.00 -1.19 -4.74 105.19 116.18 2waq n GLY 497 Ca -0.12 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2waq n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq s ALA 498 N -1.79 3.26 0.00 4.61 0.00 -1.26 -4.37 121.76 122.21 2waq s ALA 498 Ca 0.11 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2waq s ALA 498 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2waq s ALA 498 CO 0.08 -0.26 0.08 0.00 0.00 0.00 0.00 175.76 175.66 2waq n ALA 499 N 3.60 -0.01 0.00 0.00 0.00 -1.26 -3.76 120.51 119.07 2waq n ALA 499 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2waq n ALA 499 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2waq n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2waq n GLN 500 N -0.81 0.00 0.17 0.00 10.64 -1.26 -4.48 117.38 121.64 2waq n GLN 500 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 2waq n GLN 500 Cb 0.00 0.00 0.36 0.00 -0.86 0.00 0.00 30.24 29.74 2waq n GLN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2waq h ASP 501 N 0.00 0.04 0.06 2.61 3.45 -1.98 -2.47 116.42 118.13 2waq h ASP 501 Ca 0.00 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 2waq h ASP 501 Cb 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 2waq h ASP 501 CO 0.00 0.38 -0.03 1.88 -1.57 0.00 0.00 179.24 179.90 2waq h TYR 502 N 0.04 -0.08 -0.88 4.55 0.05 -1.93 -2.63 116.97 116.09 2waq h TYR 502 Ca 0.00 -0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.98 2waq h TYR 502 Cb 0.62 0.03 -0.17 0.00 1.01 0.00 0.00 36.73 38.21 2waq h TYR 502 CO 0.00 -0.05 -0.13 -0.89 -1.05 0.00 0.00 178.16 176.05 2waq n ILE 503 N -2.34 -0.37 -0.09 -2.88 2.08 -1.24 -0.10 119.36 114.43 2waq n ILE 503 Ca -0.01 1.98 -0.11 0.00 0.56 0.00 0.00 62.75 65.17 2waq n ILE 503 Cb 0.03 -2.80 -0.04 0.00 -0.75 0.00 0.00 39.64 36.08 2waq n ILE 503 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 2waq h SER 504 N 0.00 0.48 0.42 4.38 0.87 -1.53 -1.46 113.55 116.71 2waq h SER 504 Ca 0.47 -0.34 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 2waq h SER 504 Cb 0.82 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2waq h SER 504 CO -0.87 0.70 -0.61 1.23 -0.53 0.00 0.00 176.83 176.75 2waq h GLY 505 N 0.24 0.20 2.00 5.77 0.00 -0.82 -2.32 103.07 108.14 2waq h GLY 505 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2waq h GLY 505 CO 0.02 0.22 -0.16 0.00 0.00 0.00 0.00 176.54 176.62 2waq h ALA 506 N 1.24 1.11 0.01 3.60 0.00 -0.37 -1.65 119.26 123.19 2waq h ALA 506 Ca -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2waq h ALA 506 Cb 1.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2waq h ALA 506 CO 0.09 0.20 -0.46 -0.92 0.00 0.00 0.00 179.25 178.16 2waq h TYR 507 N 0.00 0.45 0.00 0.00 3.20 -1.02 -3.07 116.97 116.52 2waq h TYR 507 Ca -0.00 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 2waq h TYR 507 Cb 0.55 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2waq h TYR 507 CO 0.00 1.07 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.51 2waq h LEU 508 N -0.31 0.00 0.00 2.82 3.38 -0.96 -3.11 115.31 117.13 2waq h LEU 508 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2waq h LEU 508 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2waq h LEU 508 CO 0.09 0.01 -0.73 0.25 0.09 0.00 0.00 178.44 178.15 2waq h LEU 509 N 0.00 0.00 0.00 1.67 5.85 -1.41 -3.41 115.31 118.01 2waq h LEU 509 Ca -0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2waq h LEU 509 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2waq h LEU 509 CO 0.00 1.01 0.00 0.35 -0.34 0.00 0.00 178.44 179.46 2waq n THR 510 N -4.56 0.00 -1.67 1.05 -2.24 -1.16 -3.91 114.28 101.79 2waq n THR 510 Ca -0.16 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 2waq n THR 510 Cb 0.40 -0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2waq n THR 510 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2waq s VAL 511 N -2.00 3.67 0.27 2.28 -7.23 -1.18 -4.41 120.40 111.80 2waq s VAL 511 Ca 0.05 0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 60.84 2waq s VAL 511 Cb 0.02 -3.23 0.27 0.00 0.56 0.00 0.00 36.38 34.00 2waq s VAL 511 CO 0.04 -0.60 1.93 0.11 -0.31 0.00 0.00 175.10 176.27 2waq h LYS 512 N -0.34 1.19 -2.87 4.82 1.57 -1.94 -3.25 116.57 115.76 2waq h LYS 512 Ca -0.45 -0.07 -0.72 0.00 -1.87 0.00 0.00 60.65 57.54 2waq h LYS 512 Cb 1.22 -0.27 -0.07 0.00 0.08 0.00 0.00 32.23 33.20 2waq h LYS 512 CO 0.55 0.79 2.95 2.41 -0.57 0.00 0.00 179.45 185.58 2waq n THR 513 N -4.42 4.79 -3.57 -0.16 -1.04 -1.26 -4.77 114.28 103.84 2waq n THR 513 Ca 0.12 -3.65 -0.13 0.00 -2.04 0.00 0.00 64.05 58.36 2waq n THR 513 Cb 0.07 -2.31 -0.12 0.00 -1.82 0.00 0.00 70.33 66.16 2waq n THR 513 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2waq s THR 514 N 0.31 -0.46 -0.09 12.58 2.01 -1.23 -5.06 115.64 123.70 2waq s THR 514 Ca 0.59 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.73 2waq s THR 514 Cb 0.18 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 72.11 2waq s THR 514 CO -0.08 0.00 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.94 2waq s LEU 515 N 2.45 1.76 -0.13 4.42 1.02 -1.26 -2.86 118.68 124.09 2waq s LEU 515 Ca 0.04 -0.41 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 2waq s LEU 515 Cb -0.13 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 44.99 2waq s LEU 515 CO -0.11 0.05 -0.01 -0.76 0.02 0.00 0.00 176.35 175.54 2waq s LEU 516 N 0.74 3.44 0.56 1.79 1.02 0.39 -4.90 118.68 121.73 2waq s LEU 516 Ca -0.12 0.01 -0.19 0.00 0.02 0.00 0.00 54.13 53.85 2waq s LEU 516 Cb -0.16 -1.81 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 2waq s LEU 516 CO 0.02 0.26 1.13 -0.89 0.02 0.00 0.00 176.35 176.89 2waq s THR 517 N -0.18 3.19 0.14 5.49 2.01 -1.26 -1.11 115.64 123.92 2waq s THR 517 Ca 0.04 0.71 0.18 0.00 0.31 0.00 0.00 61.69 62.93 2waq s THR 517 Cb -0.13 -3.27 0.18 0.00 0.01 0.00 0.00 72.50 69.30 2waq s THR 517 CO 0.02 -0.19 1.48 0.11 -0.69 0.00 0.00 174.62 175.35 2waq h LYS 518 N 1.03 0.00 0.00 4.92 1.57 -1.98 0.29 116.57 122.40 2waq h LYS 518 Ca -0.50 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.91 2waq h LYS 518 Cb 1.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 2waq h LYS 518 CO 0.57 0.00 -2.40 0.39 -0.57 0.00 0.00 179.45 177.43 2waq n GLU 519 N -2.26 0.70 -0.16 3.15 1.02 -1.26 -4.00 120.64 117.83 2waq n GLU 519 Ca -0.01 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 2waq n GLU 519 Cb 0.31 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2waq n GLU 519 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2waq h GLU 520 N 0.00 0.92 0.85 3.49 5.08 -1.15 -2.92 114.58 120.85 2waq h GLU 520 Ca -0.55 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 57.42 2waq h GLU 520 Cb 2.12 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2waq h GLU 520 CO -0.01 1.00 -0.41 0.00 -1.00 0.00 0.00 179.01 178.59 2waq h ALA 521 N 0.89 -1.15 -0.02 3.43 0.00 -0.78 -3.19 119.26 118.45 2waq h ALA 521 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2waq h ALA 521 Cb 0.65 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2waq h ALA 521 CO 0.04 -1.07 0.02 1.96 0.00 0.00 0.00 179.25 180.20 2waq h GLN 522 N -1.29 0.00 0.00 0.00 4.20 -1.69 -0.52 115.11 115.81 2waq h GLN 522 Ca -0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 2waq h GLN 522 Cb 0.87 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2waq h GLN 522 CO 0.19 0.00 -0.23 0.37 -0.67 0.00 0.00 178.83 178.49 2waq h GLN 523 N 0.00 0.00 0.02 1.46 4.15 -1.51 -2.68 115.11 116.56 2waq h GLN 523 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2waq h GLN 523 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2waq h GLN 523 CO -0.00 0.23 -0.01 0.82 -1.93 0.00 0.00 178.83 177.94 2waq h ILE 524 N 0.00 0.77 0.00 2.39 2.04 -1.08 -3.34 117.51 118.29 2waq h ILE 524 Ca -0.00 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2waq h ILE 524 Cb 0.41 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2waq h ILE 524 CO 0.03 0.26 0.11 0.18 0.00 0.00 0.00 178.15 178.72 2waq n LEU 525 N -4.74 0.50 -0.06 1.44 7.99 -1.09 -2.20 117.00 118.84 2waq n LEU 525 Ca -0.05 0.70 -0.00 0.00 -0.01 0.00 0.00 56.01 56.65 2waq n LEU 525 Cb 0.21 -0.72 0.28 0.00 -0.11 0.00 0.00 43.42 43.08 2waq n LEU 525 CO 0.16 -0.87 1.00 1.23 -1.51 0.00 0.00 177.39 177.40 2waq h GLY 526 N 0.00 0.70 2.00 -0.72 0.00 -1.59 -2.48 103.07 100.97 2waq h GLY 526 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2waq h GLY 526 CO 0.00 0.36 0.00 -2.08 0.00 0.00 0.00 176.54 174.82 2waq h VAL 527 N 0.64 0.00 -3.39 4.60 2.07 -1.67 -3.45 116.25 115.05 2waq h VAL 527 Ca 0.15 -0.65 -0.55 0.00 0.82 0.00 0.00 66.70 66.47 2waq h VAL 527 Cb 0.24 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2waq h VAL 527 CO -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.44 2waq s ALA 528 N -3.26 3.60 -1.19 1.67 0.00 -0.94 -4.91 121.76 116.74 2waq s ALA 528 Ca 0.07 -0.31 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 2waq s ALA 528 Cb 0.09 -2.39 0.07 0.00 0.00 0.00 0.00 23.12 20.88 2waq s ALA 528 CO 0.59 0.53 1.61 0.34 0.00 0.00 0.00 175.76 178.83 2waq s ASP 529 N -2.33 6.72 -0.04 0.00 2.15 -1.26 -4.94 116.67 116.97 2waq s ASP 529 Ca 0.46 -2.11 -0.00 0.00 0.43 0.00 0.00 52.55 51.33 2waq s ASP 529 Cb -0.12 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.97 2waq s ASP 529 CO 0.21 -1.27 0.00 0.68 -0.17 0.00 0.00 175.17 174.62 2waq s VAL 530 N 4.35 0.24 -0.66 1.11 -7.23 -1.26 -5.02 120.40 111.94 2waq s VAL 530 Ca 0.50 0.10 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 2waq s VAL 530 Cb 0.02 -0.36 0.42 0.00 0.56 0.00 0.00 36.38 37.02 2waq s VAL 530 CO 0.01 0.19 2.04 0.29 -0.31 0.00 0.00 175.10 177.32 2waq n LYS 531 N 4.51 2.63 -4.21 4.82 5.02 -1.26 -4.99 118.16 124.67 2waq n LYS 531 Ca -0.19 -3.17 -0.30 0.00 -2.02 0.00 0.00 58.31 52.63 2waq n LYS 531 Cb 0.50 -2.24 -0.09 0.00 -0.02 0.00 0.00 35.03 33.18 2waq n LYS 531 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2waq s ILE 532 N -4.64 3.48 0.30 -0.18 -5.25 -1.26 -5.14 121.20 108.51 2waq s ILE 532 Ca 0.61 -1.23 0.11 0.00 -0.99 0.00 0.00 60.65 59.15 2waq s ILE 532 Cb 0.48 -2.63 -0.05 0.00 2.95 0.00 0.00 42.46 43.20 2waq s ILE 532 CO -0.05 0.11 -0.12 1.51 -1.79 0.00 0.00 174.94 174.59 2waq s ASP 533 N -2.24 3.81 -0.42 4.36 3.84 -1.26 -5.12 116.67 119.64 2waq s ASP 533 Ca 0.22 -1.02 -0.12 0.00 -0.00 0.00 0.00 52.55 51.63 2waq s ASP 533 Cb -0.11 -0.41 0.06 0.00 -1.38 0.00 0.00 42.92 41.08 2waq s ASP 533 CO 0.15 -0.06 0.29 -0.76 -0.00 0.00 0.00 175.17 174.78 2waq s LEU 534 N -3.58 5.17 -0.82 2.11 2.01 -1.26 -5.03 118.68 117.28 2waq s LEU 534 Ca 0.31 -1.27 -0.25 0.00 0.01 0.00 0.00 54.13 52.93 2waq s LEU 534 Cb -0.03 -2.07 0.01 0.00 0.01 0.00 0.00 46.19 44.12 2waq s LEU 534 CO 0.17 -0.52 1.54 -0.83 1.01 0.00 0.00 176.35 177.71 2waq s GLY 535 N 2.07 0.75 0.08 -3.19 0.00 -1.26 -4.57 107.32 101.21 2waq s GLY 535 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2waq s GLY 535 CO 0.05 2.93 0.00 1.18 0.00 0.00 0.00 173.10 177.27 2waq n GLU 536 N 9.13 -4.41 -1.71 2.90 1.02 -1.26 -4.96 120.64 121.34 2waq n GLU 536 Ca 0.20 3.25 -0.36 0.00 -0.02 0.00 0.00 57.16 60.24 2waq n GLU 536 Cb 0.50 -3.77 0.07 0.00 -0.02 0.00 0.00 31.44 28.21 2waq n GLU 536 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2waq s PRO 537 N -0.95 2.52 0.45 3.49 0.04 -1.26 -4.91 135.00 134.38 2waq s PRO 537 Ca 0.00 1.94 0.13 0.00 0.04 0.00 0.00 61.00 63.12 2waq s PRO 537 Cb 0.00 -1.86 1.06 0.00 0.04 0.00 0.00 34.50 33.75 2waq s PRO 537 CO 0.00 -1.59 2.04 0.00 0.04 0.00 0.00 177.00 177.49 2waq h ALA 538 N 0.39 1.97 -3.12 8.56 0.00 -1.93 -3.38 119.26 121.76 2waq h ALA 538 Ca -0.50 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.73 2waq h ALA 538 Cb 1.32 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.74 2waq h ALA 538 CO 0.53 -0.05 -0.78 0.42 0.00 0.00 0.00 179.25 179.37 2waq s ILE 539 N -5.32 2.89 -0.21 0.00 1.01 -1.01 -5.02 121.20 113.54 2waq s ILE 539 Ca -0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2waq s ILE 539 Cb 0.18 -2.26 -0.11 0.00 0.01 0.00 0.00 42.46 40.28 2waq s ILE 539 CO 0.73 0.49 -0.24 0.18 0.00 0.00 0.00 174.94 176.10 2waq n LEU 540 N 4.34 2.22 0.00 2.97 7.99 -1.26 -1.63 117.00 131.63 2waq n LEU 540 Ca -0.19 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2waq n LEU 540 Cb 0.51 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 2waq n LEU 540 CO 0.29 0.64 0.12 0.00 -1.51 0.00 0.00 177.39 176.93 2waq n ALA 541 N -3.57 0.00 -0.24 -1.18 0.00 -1.26 -3.84 120.51 110.43 2waq n ALA 541 Ca -0.40 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 2waq n ALA 541 Cb 0.85 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.34 2waq n ALA 541 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2waq h PRO 542 N 0.00 0.88 -3.74 0.00 0.13 -2.05 -3.42 132.00 123.80 2waq h PRO 542 Ca 0.00 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.96 2waq h PRO 542 Cb 0.00 -0.20 -0.16 0.00 0.13 0.00 0.00 31.00 30.77 2waq h PRO 542 CO 0.00 0.59 -0.44 1.03 -0.23 0.00 0.00 178.00 178.95 2waq s ARG 543 N -6.10 0.70 -0.45 0.86 0.52 -1.26 -5.12 118.95 108.09 2waq s ARG 543 Ca -0.13 -0.79 -0.28 0.00 -0.52 0.00 0.00 55.73 54.01 2waq s ARG 543 Cb 0.14 0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.91 2waq s ARG 543 CO 0.77 -0.20 1.05 -1.21 0.02 0.00 0.00 175.30 175.73 2waq s GLU 544 N -3.00 3.71 -0.07 3.54 2.02 -1.25 -4.23 118.70 119.41 2waq s GLU 544 Ca -0.02 0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.49 2waq s GLU 544 Cb 0.01 -3.89 0.01 0.00 0.10 0.00 0.00 34.13 30.37 2waq s GLU 544 CO -0.06 -1.24 -0.13 0.71 0.02 0.00 0.00 175.26 174.55 2waq s TYR 545 N 4.07 1.58 -0.01 1.61 2.02 -0.64 -4.37 117.35 121.61 2waq s TYR 545 Ca 0.43 -0.59 -0.18 0.00 -0.37 0.00 0.00 57.07 56.36 2waq s TYR 545 Cb -0.09 -1.14 -0.06 0.00 -0.40 0.00 0.00 41.96 40.27 2waq s TYR 545 CO 0.27 -0.29 0.50 0.71 -1.57 0.00 0.00 175.55 175.17 2waq s TYR 546 N 0.64 3.70 0.34 2.71 1.51 -0.26 -2.39 117.35 123.59 2waq s TYR 546 Ca -0.15 1.08 -0.14 0.00 -1.01 0.00 0.00 57.07 56.85 2waq s TYR 546 Cb -0.16 -2.46 -0.09 0.00 -0.11 0.00 0.00 41.96 39.15 2waq s TYR 546 CO 0.04 0.48 0.75 0.95 -1.11 0.00 0.00 175.55 176.66 2waq s THR 547 N -0.58 4.69 0.31 -0.71 -4.23 -1.26 0.15 115.64 114.01 2waq s THR 547 Ca 0.27 0.90 0.36 0.00 -1.18 0.00 0.00 61.69 62.04 2waq s THR 547 Cb -0.17 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.40 2waq s THR 547 CO 0.15 -0.26 2.11 1.23 -0.54 0.00 0.00 174.62 177.31 2waq h GLY 548 N 2.03 0.00 1.88 3.99 0.00 -1.64 -0.38 103.07 108.95 2waq h GLY 548 Ca -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.64 2waq h GLY 548 CO 0.65 0.00 -1.00 0.50 0.00 0.00 0.00 176.54 176.69 2waq h LYS 549 N 0.00 0.10 -0.21 4.80 1.79 -1.85 -3.27 116.57 117.94 2waq h LYS 549 Ca 0.00 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 2waq h LYS 549 Cb 0.09 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2waq h LYS 549 CO 0.00 1.01 -0.03 0.37 -1.08 0.00 0.00 179.45 179.72 2waq h GLN 550 N 0.04 0.39 -0.49 3.15 4.15 -1.37 -1.36 115.11 119.61 2waq h GLN 550 Ca -0.04 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.19 2waq h GLN 550 Cb 1.71 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 2waq h GLN 550 CO 0.14 0.62 0.11 -0.24 -1.93 0.00 0.00 178.83 177.53 2waq h VAL 551 N 0.13 1.24 -0.03 2.39 3.04 -1.67 -2.80 116.25 118.54 2waq h VAL 551 Ca 0.05 -0.87 -0.09 0.00 -1.01 0.00 0.00 66.70 64.78 2waq h VAL 551 Cb 0.46 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2waq h VAL 551 CO 0.02 0.31 -0.41 0.58 -1.01 0.00 0.00 177.57 177.06 2waq h VAL 552 N 0.68 1.30 -0.01 1.51 2.07 -1.60 -2.79 116.25 117.41 2waq h VAL 552 Ca 0.15 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 2waq h VAL 552 Cb 0.35 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2waq h VAL 552 CO 0.00 0.42 -0.29 -1.28 0.02 0.00 0.00 177.57 176.45 2waq h SER 553 N 0.06 0.02 -0.22 0.57 0.87 -1.00 -3.00 113.55 110.84 2waq h SER 553 Ca 0.00 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2waq h SER 553 Cb 0.75 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 2waq h SER 553 CO 0.06 0.31 0.01 0.00 -0.53 0.00 0.00 176.83 176.67 2waq n ALA 554 N -2.48 5.26 0.00 6.23 0.00 -1.05 -3.07 120.51 125.39 2waq n ALA 554 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2waq n ALA 554 Cb 0.34 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2waq n ALA 554 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2waq n PHE 555 N 1.52 0.00 -3.14 0.00 3.72 -1.13 -5.06 117.46 113.36 2waq n PHE 555 Ca 0.25 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.30 2waq n PHE 555 Cb 0.65 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.13 2waq n PHE 555 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2waq s LEU 556 N -0.52 4.28 0.33 4.37 1.43 -1.18 -5.04 118.68 122.36 2waq s LEU 556 Ca 0.00 1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 2waq s LEU 556 Cb 0.00 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 2waq s LEU 556 CO 0.00 -0.01 1.36 -2.84 0.23 0.00 0.00 176.35 175.08 2waq s PRO 557 N -2.20 4.30 0.00 1.29 0.02 -1.26 -4.83 135.00 132.32 2waq s PRO 557 Ca 0.45 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.77 2waq s PRO 557 Cb -0.15 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.32 2waq s PRO 557 CO 0.20 -0.28 0.50 1.63 -0.33 0.00 0.00 177.00 178.72 2waq n LYS 558 N 0.86 0.92 -0.30 5.54 4.76 -1.26 -1.39 118.16 127.29 2waq n LYS 558 Ca 0.01 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.49 2waq n LYS 558 Cb 0.41 -1.43 0.06 0.00 -1.84 0.00 0.00 35.03 32.23 2waq n LYS 558 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2waq n ASP 559 N 0.08 1.02 -4.67 4.39 5.75 -1.26 -4.30 116.55 117.56 2waq n ASP 559 Ca 0.00 -2.43 -0.41 0.00 -0.01 0.00 0.00 54.79 51.94 2waq n ASP 559 Cb 0.25 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 40.00 2waq n ASP 559 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2waq s PHE 560 N -1.22 3.40 -0.03 2.11 5.36 -0.49 -4.83 117.98 122.27 2waq s PHE 560 Ca 0.13 1.10 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 2waq s PHE 560 Cb 0.12 -2.90 -0.00 0.00 -0.34 0.00 0.00 43.02 39.89 2waq s PHE 560 CO 0.01 -0.20 -0.16 -0.80 -1.46 0.00 0.00 175.22 172.61 2waq s ASN 561 N 1.16 2.02 -0.14 6.13 0.01 -1.26 -0.87 114.94 122.00 2waq s ASN 561 Ca 0.34 -0.32 -0.12 0.00 -0.71 0.00 0.00 52.86 52.04 2waq s ASN 561 Cb -0.16 -0.48 0.04 0.00 0.41 0.00 0.00 41.25 41.06 2waq s ASN 561 CO 0.12 0.16 0.36 0.12 -1.51 0.00 0.00 177.10 176.34 2waq s PHE 562 N -0.05 -0.40 -0.04 2.20 5.36 -0.26 -4.79 117.98 120.00 2waq s PHE 562 Ca -0.01 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2waq s PHE 562 Cb -0.10 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 2waq s PHE 562 CO 0.01 -0.20 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.52 2waq s HIS 563 N 0.33 0.68 0.00 10.12 3.76 -1.25 -1.03 115.29 127.89 2waq s HIS 563 Ca -0.01 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2waq s HIS 563 Cb -0.03 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.06 2waq s HIS 563 CO -0.01 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 2waq n GLY 564 N 3.92 1.57 3.71 -2.22 0.00 -0.86 -5.00 105.19 106.31 2waq n GLY 564 Ca -0.25 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2waq n GLY 564 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2waq s GLN 565 N -2.00 4.54 0.94 1.61 -0.21 -1.26 0.25 119.66 123.53 2waq s GLN 565 Ca 0.00 1.42 -0.12 0.00 0.02 0.00 0.00 55.36 56.68 2waq s GLN 565 Cb 0.00 -3.47 0.15 0.00 1.00 0.00 0.00 33.01 30.69 2waq s GLN 565 CO 0.00 -0.09 1.09 0.00 -2.12 0.00 0.00 175.29 174.17 2waq s ALA 566 N 1.15 1.28 0.61 6.09 0.00 -0.94 -4.90 121.76 125.04 2waq s ALA 566 Ca 0.52 -0.12 0.32 0.00 0.00 0.00 0.00 51.96 52.68 2waq s ALA 566 Cb -0.21 -3.18 1.91 0.00 0.00 0.00 0.00 23.12 21.64 2waq s ALA 566 CO 0.27 -2.57 2.24 -0.97 0.00 0.00 0.00 175.76 174.72 2waq h ASN 567 N -1.70 0.00 0.53 0.00 -0.73 -1.77 -1.54 115.58 110.37 2waq h ASN 567 Ca -0.51 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 57.60 2waq h ASN 567 Cb 1.30 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.88 2waq h ASN 567 CO 0.55 0.00 -0.27 0.58 -0.37 0.00 0.00 177.43 177.92 2waq h VAL 568 N 0.00 0.86 -0.54 2.57 2.07 -1.69 -3.41 116.25 116.11 2waq h VAL 568 Ca 0.02 -1.05 -0.35 0.00 0.82 0.00 0.00 66.70 66.14 2waq h VAL 568 Cb 0.13 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2waq h VAL 568 CO -0.00 0.26 1.09 -0.55 0.02 0.00 0.00 177.57 178.39 2waq s SER 569 N -6.48 5.18 0.02 0.57 0.15 -0.58 -4.60 113.70 107.97 2waq s SER 569 Ca -0.02 -1.54 -0.20 0.00 0.70 0.00 0.00 55.95 54.89 2waq s SER 569 Cb 0.13 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.90 2waq s SER 569 CO 0.66 -2.88 0.45 -0.94 1.20 0.00 0.00 173.24 171.73 2waq s SER 570 N 6.60 -0.35 1.91 5.45 1.04 -1.24 -4.70 113.70 122.41 2waq s SER 570 Ca 0.67 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2waq s SER 570 Cb -0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2waq s SER 570 CO 0.10 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2waq n GLY 571 N 0.66 3.52 0.26 7.32 0.00 -1.26 -2.09 105.19 113.59 2waq n GLY 571 Ca -0.19 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 45.89 2waq n GLY 571 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2waq h PRO 572 N 0.00 0.00 -0.60 1.61 0.11 -2.00 -3.05 132.00 128.07 2waq h PRO 572 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2waq h PRO 572 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 2waq h PRO 572 CO 0.00 0.01 0.17 0.54 -0.21 0.00 0.00 178.00 178.51 2waq n ARG 573 N -3.11 3.42 -2.11 1.05 1.74 -0.89 -4.98 116.66 111.79 2waq n ARG 573 Ca 0.01 -3.07 -0.33 0.00 -0.77 0.00 0.00 57.85 53.70 2waq n ARG 573 Cb 0.37 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 2waq n ARG 573 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2waq s LEU 574 N -2.99 3.53 0.00 0.55 0.20 -1.16 -3.70 118.68 115.11 2waq s LEU 574 Ca 0.52 1.79 0.00 0.00 0.69 0.00 0.00 54.13 57.13 2waq s LEU 574 Cb 0.42 -4.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.65 2waq s LEU 574 CO 0.11 -1.08 0.00 0.00 -0.29 0.00 0.00 176.35 175.09 2waq n LYS 576 N -1.69 0.00 -4.37 0.00 5.02 -1.26 -4.93 118.16 110.94 2waq n LYS 576 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2waq n LYS 576 Cb 0.00 -2.38 -0.10 0.00 -0.02 0.00 0.00 35.03 32.53 2waq n LYS 576 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2waq s ASN 577 N -0.98 2.75 0.53 4.39 3.84 -1.26 -5.04 114.94 119.18 2waq s ASN 577 Ca 0.00 -1.02 0.32 0.00 0.21 0.00 0.00 52.86 52.38 2waq s ASN 577 Cb 0.00 -0.17 1.28 0.00 -0.55 0.00 0.00 41.25 41.82 2waq s ASN 577 CO 0.00 -0.13 1.95 -0.33 -2.79 0.00 0.00 177.10 175.81 2waq h GLU 578 N 2.54 0.00 -5.31 0.43 5.08 -1.95 -3.39 114.58 111.98 2waq h GLU 578 Ca -0.39 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.34 2waq h GLU 578 Cb 1.23 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 2waq h GLU 578 CO 0.61 0.03 -0.01 0.34 -1.00 0.00 0.00 179.01 178.98 2waq s ASP 579 N -5.78 6.37 -0.27 1.42 2.15 -1.26 -5.05 116.67 114.26 2waq s ASP 579 Ca 0.01 0.19 -0.12 0.00 0.43 0.00 0.00 52.55 53.06 2waq s ASP 579 Cb 0.09 -2.28 0.10 0.00 -0.30 0.00 0.00 42.92 40.53 2waq s ASP 579 CO 0.56 -0.43 0.62 0.00 -0.17 0.00 0.00 175.17 175.75 2waq n PRO 581 N 4.81 0.12 -4.65 0.00 -0.02 -1.26 -4.63 135.00 129.37 2waq n PRO 581 Ca -0.16 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 2waq n PRO 581 Cb 0.54 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.16 2waq n PRO 581 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2waq s HIS 582 N -3.22 2.91 -1.15 6.00 3.76 -1.26 -5.03 115.29 117.30 2waq s HIS 582 Ca 0.04 -0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.72 2waq s HIS 582 Cb 0.09 -1.72 -0.05 0.00 1.11 0.00 0.00 32.58 32.01 2waq s HIS 582 CO 0.31 0.26 2.04 -3.47 -0.85 0.00 0.00 174.74 173.03 2waq n ASP 583 N 2.39 3.38 0.00 1.40 2.03 -1.26 -4.34 116.55 120.14 2waq n ASP 583 Ca -0.18 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2waq n ASP 583 Cb 0.53 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2waq n ASP 583 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2waq n SER 584 N 7.48 0.17 -4.16 1.67 2.88 -1.26 -3.68 113.62 116.71 2waq n SER 584 Ca 0.50 -0.86 -0.34 0.00 -1.33 0.00 0.00 58.87 56.84 2waq n SER 584 Cb 0.41 0.03 -0.15 0.00 -0.75 0.00 0.00 64.21 63.75 2waq n SER 584 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2waq s TYR 585 N -0.03 3.09 -0.25 0.66 5.04 -1.26 -2.22 117.35 122.37 2waq s TYR 585 Ca 0.00 -1.73 -0.28 0.00 -2.44 0.00 0.00 57.07 52.62 2waq s TYR 585 Cb 0.00 -2.02 0.01 0.00 0.35 0.00 0.00 41.96 40.29 2waq s TYR 585 CO 0.00 -0.77 0.98 0.08 -1.34 0.00 0.00 175.55 174.50 2waq s VAL 586 N 1.27 4.70 -0.19 3.14 1.01 0.14 -2.74 120.40 127.73 2waq s VAL 586 Ca -0.01 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2waq s VAL 586 Cb -0.17 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.98 2waq s VAL 586 CO -0.05 -0.20 -0.09 -0.69 0.00 0.00 0.00 175.10 174.07 2waq s VAL 587 N 3.16 1.47 -0.12 2.92 1.01 0.96 -2.02 120.40 127.78 2waq s VAL 587 Ca 0.41 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2waq s VAL 587 Cb -0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2waq s VAL 587 CO 0.08 0.15 -0.18 -0.63 0.00 0.00 0.00 175.10 174.53 2waq s ILE 588 N 1.47 2.59 -0.05 2.22 1.09 -0.20 -1.66 121.20 126.66 2waq s ILE 588 Ca -0.01 -0.82 0.03 0.00 -1.10 0.00 0.00 60.65 58.75 2waq s ILE 588 Cb -0.16 -2.06 0.01 0.00 -1.06 0.00 0.00 42.46 39.19 2waq s ILE 588 CO -0.08 0.54 -0.12 -0.54 -0.10 0.00 0.00 174.94 174.63 2waq s LYS 589 N 0.44 1.49 -1.60 2.79 1.02 -0.31 -1.10 119.74 122.48 2waq s LYS 589 Ca -0.13 -0.43 -0.18 0.00 0.02 0.00 0.00 55.97 55.26 2waq s LYS 589 Cb -0.17 -1.29 0.16 0.00 -0.52 0.00 0.00 37.83 36.01 2waq s LYS 589 CO 0.06 0.11 0.67 0.09 -0.92 0.00 0.00 175.35 175.35 2waq n ASN 590 N 3.49 -2.97 -0.21 2.83 3.02 -1.16 -0.39 115.26 119.86 2waq n ASN 590 Ca -0.20 -0.89 -0.03 0.00 -0.03 0.00 0.00 54.58 53.43 2waq n ASN 590 Cb 0.53 -2.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.22 2waq n ASN 590 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2waq n GLY 591 N -1.24 0.60 3.48 7.41 0.00 -0.05 -4.35 105.19 111.05 2waq n GLY 591 Ca 0.07 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2waq n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2waq s ILE 592 N -2.04 3.54 -1.12 -0.61 -1.09 0.48 -4.61 121.20 115.76 2waq s ILE 592 Ca 0.00 -0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 57.78 2waq s ILE 592 Cb 0.00 -2.50 0.18 0.00 -1.58 0.00 0.00 42.46 38.56 2waq s ILE 592 CO 0.00 0.53 1.29 -0.22 -1.23 0.00 0.00 174.94 175.32 2waq s LEU 593 N -0.00 5.32 0.08 2.97 0.20 -1.26 -1.16 118.68 124.82 2waq s LEU 593 Ca -0.01 -2.86 -0.14 0.00 0.69 0.00 0.00 54.13 51.81 2waq s LEU 593 Cb -0.14 -2.36 -0.19 0.00 -0.43 0.00 0.00 46.19 43.07 2waq s LEU 593 CO 0.03 -0.74 1.25 -0.07 -0.29 0.00 0.00 176.35 176.53 2waq h LEU 594 N 9.35 0.90 -8.11 -0.68 -0.00 -1.68 -3.45 115.31 111.64 2waq h LEU 594 Ca 0.25 -0.67 -0.14 0.00 -0.00 0.00 0.00 57.88 57.32 2waq h LEU 594 Cb 0.91 -0.27 -0.17 0.00 -0.00 0.00 0.00 40.66 41.13 2waq h LEU 594 CO 1.16 1.44 -0.67 -1.61 -0.00 0.00 0.00 178.44 178.76 2waq s GLU 595 N -3.57 0.50 0.00 1.13 2.02 -0.96 -4.98 118.70 112.84 2waq s GLU 595 Ca -0.10 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.94 2waq s GLU 595 Cb 0.08 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.48 2waq s GLU 595 CO 0.90 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.50 2waq n GLY 596 N 0.73 0.44 3.52 -1.39 0.00 -1.11 -0.03 105.19 107.35 2waq n GLY 596 Ca -0.18 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2waq n GLY 596 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq s VAL 597 N -2.97 3.03 0.04 1.61 0.11 -1.24 -4.78 120.40 116.20 2waq s VAL 597 Ca 0.00 -1.37 -0.22 0.00 -2.93 0.00 0.00 61.98 57.47 2waq s VAL 597 Cb 0.00 -2.38 -0.06 0.00 -1.53 0.00 0.00 36.38 32.41 2waq s VAL 597 CO 0.00 0.14 0.65 -0.36 -3.33 0.00 0.00 175.10 172.21 2waq s PHE 598 N -1.13 3.75 0.00 1.54 2.99 -1.25 -4.80 117.98 119.07 2waq s PHE 598 Ca 0.19 1.33 0.00 0.00 0.00 0.00 0.00 56.93 58.45 2waq s PHE 598 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 43.02 40.26 2waq s PHE 598 CO 0.11 0.40 0.00 -0.40 -0.00 0.00 0.00 175.22 175.32 2waq n ASP 599 N 2.41 0.00 -4.77 1.36 5.75 -1.26 -2.64 116.55 117.40 2waq n ASP 599 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.31 2waq n ASP 599 Cb 0.50 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 2waq n ASP 599 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2waq s LYS 600 N 1.59 4.19 0.00 0.11 2.20 -1.26 0.23 119.74 126.80 2waq s LYS 600 Ca 0.00 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 2waq s LYS 600 Cb 0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2waq s LYS 600 CO 0.00 -0.44 0.00 1.63 -0.36 0.00 0.00 175.35 176.18 2waq n LYS 601 N 0.80 0.00 -0.12 4.03 4.76 -1.26 -3.21 118.16 123.16 2waq n LYS 601 Ca 0.02 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 2waq n LYS 601 Cb 0.40 -0.06 -0.11 0.00 -1.84 0.00 0.00 35.03 33.42 2waq n LYS 601 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2waq n ALA 602 N -0.33 1.12 -3.48 7.82 0.00 -0.68 -3.35 120.51 121.60 2waq n ALA 602 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2waq n ALA 602 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2waq n ALA 602 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2waq n ILE 603 N -4.06 0.00 0.00 0.00 5.41 0.13 -2.34 119.36 118.50 2waq n ILE 603 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2waq n ILE 603 Cb 0.87 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.80 2waq n ILE 603 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2waq n GLY 604 N 2.58 0.91 3.35 7.39 0.00 -1.25 -4.08 105.19 114.09 2waq n GLY 604 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 2waq n GLY 604 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2waq n ASN 605 N -0.09 -2.26 -4.20 1.61 6.94 -1.26 -3.26 115.26 112.74 2waq n ASN 605 Ca 0.00 0.11 -0.31 0.00 -0.02 0.00 0.00 54.58 54.36 2waq n ASN 605 Cb 0.00 -1.09 -0.08 0.00 -2.36 0.00 0.00 39.78 36.25 2waq n ASN 605 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2waq n GLN 606 N -1.84 -0.85 -3.71 -3.83 0.00 -0.75 -4.92 117.38 101.48 2waq n GLN 606 Ca 0.04 0.08 -0.28 0.00 -0.00 0.00 0.00 57.00 56.83 2waq n GLN 606 Cb 0.58 -3.23 -0.12 0.00 0.00 0.00 0.00 30.24 27.47 2waq n GLN 606 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2waq s GLN 607 N -7.17 1.74 0.50 3.69 -1.52 -1.20 -5.04 119.66 110.66 2waq s GLN 607 Ca 0.06 -2.68 -0.20 0.00 -1.95 0.00 0.00 55.36 50.59 2waq s GLN 607 Cb -0.03 -2.59 -0.08 0.00 -0.22 0.00 0.00 33.01 30.09 2waq s GLN 607 CO 0.94 -1.29 1.06 -2.14 -0.25 0.00 0.00 175.29 173.61 2waq s PRO 608 N -0.60 3.68 -1.63 2.91 0.02 -1.26 -3.33 135.00 134.79 2waq s PRO 608 Ca 0.26 1.41 -0.03 0.00 0.02 0.00 0.00 61.00 62.65 2waq s PRO 608 Cb -0.07 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2waq s PRO 608 CO -0.14 -0.54 0.38 0.39 -0.33 0.00 0.00 177.00 176.76 2waq n GLU 609 N -1.10 -3.66 -2.82 5.54 1.02 -1.26 -5.02 120.64 113.34 2waq n GLU 609 Ca 0.10 0.94 -0.21 0.00 -0.02 0.00 0.00 57.16 57.97 2waq n GLU 609 Cb 0.52 -5.71 0.02 0.00 -0.02 0.00 0.00 31.44 26.26 2waq n GLU 609 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2waq s SER 610 N -2.47 5.50 0.20 1.62 1.04 -1.21 -4.98 113.70 113.40 2waq s SER 610 Ca 0.19 -0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 2waq s SER 610 Cb -0.08 -1.01 0.24 0.00 0.10 0.00 0.00 66.02 65.27 2waq s SER 610 CO 0.23 -0.95 1.78 0.40 0.98 0.00 0.00 173.24 175.68 2waq h ILE 611 N 0.28 0.88 -0.09 -1.02 2.04 -1.63 -2.16 117.51 115.81 2waq h ILE 611 Ca -0.43 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 2waq h ILE 611 Cb 1.28 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2waq h ILE 611 CO 0.52 0.10 -0.38 0.25 0.00 0.00 0.00 178.15 178.64 2waq h LEU 612 N 0.54 0.20 0.62 1.44 5.85 -1.78 -1.15 115.31 121.03 2waq h LEU 612 Ca 0.29 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2waq h LEU 612 Cb 0.26 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2waq h LEU 612 CO -0.23 0.57 -0.41 -0.74 -0.34 0.00 0.00 178.44 177.29 2waq h HIS 613 N 0.17 -1.11 0.21 1.25 2.76 -1.68 -2.81 115.15 113.94 2waq h HIS 613 Ca 0.02 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2waq h HIS 613 Cb 0.76 0.40 -0.00 0.00 1.55 0.00 0.00 27.41 30.12 2waq h HIS 613 CO 0.01 -0.61 -0.11 -1.49 -1.30 0.00 0.00 177.93 174.42 2waq h TRP 614 N -0.99 -0.30 -1.11 5.26 -0.00 -1.32 -1.18 115.95 116.32 2waq h TRP 614 Ca -0.08 -0.01 0.31 0.00 -0.00 0.00 0.00 58.89 59.12 2waq h TRP 614 Cb 0.81 0.10 -0.08 0.00 -0.00 0.00 0.00 29.16 29.99 2waq h TRP 614 CO -0.13 -0.18 0.74 -0.07 -0.00 0.00 0.00 178.44 178.80 2waq h LEU 615 N -0.30 0.29 0.18 -4.49 3.38 -1.23 0.23 115.31 113.37 2waq h LEU 615 Ca -0.02 0.06 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 2waq h LEU 615 Cb 0.24 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2waq h LEU 615 CO 0.03 0.03 -1.78 0.40 0.09 0.00 0.00 178.44 177.22 2waq h ILE 616 N 0.25 0.91 -0.11 1.22 2.04 -1.30 -3.33 117.51 117.18 2waq h ILE 616 Ca 0.61 -2.50 -0.14 0.00 1.00 0.00 0.00 64.86 63.83 2waq h ILE 616 Cb 1.84 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 40.65 2waq h ILE 616 CO -0.22 0.86 -0.55 0.50 0.00 0.00 0.00 178.15 178.74 2waq h LYS 617 N 0.10 0.31 -0.21 2.37 3.64 0.34 -3.32 116.57 119.81 2waq h LYS 617 Ca -0.35 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2waq h LYS 617 Cb 2.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.94 2waq h LYS 617 CO 0.17 0.78 0.00 -0.85 -2.27 0.00 0.00 179.45 177.28 2waq n GLU 618 N -3.92 2.61 -4.19 1.90 0.28 0.57 -5.00 120.64 112.88 2waq n GLU 618 Ca -0.02 -2.77 -0.11 0.00 -0.16 0.00 0.00 57.16 54.09 2waq n GLU 618 Cb 0.59 -1.76 -0.10 0.00 1.43 0.00 0.00 31.44 31.59 2waq n GLU 618 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2waq s TYR 619 N -2.79 1.06 0.45 -1.84 1.51 -1.25 -5.03 117.35 109.46 2waq s TYR 619 Ca 0.40 -1.28 -0.22 0.00 -1.01 0.00 0.00 57.07 54.95 2waq s TYR 619 Cb 0.32 -0.56 -0.11 0.00 -0.11 0.00 0.00 41.96 41.51 2waq s TYR 619 CO 0.08 -0.54 0.74 -1.13 -1.11 0.00 0.00 175.55 173.59 2waq n SER 620 N -0.20 -0.02 0.22 2.29 3.41 -1.26 -4.80 113.62 113.25 2waq n SER 620 Ca -0.02 0.92 0.16 0.00 -0.26 0.00 0.00 58.87 59.67 2waq n SER 620 Cb 0.65 -1.23 0.71 0.00 -0.26 0.00 0.00 64.21 64.08 2waq n SER 620 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2waq h ASP 621 N 0.96 0.00 0.15 4.04 3.58 -1.99 -1.75 116.42 121.41 2waq h ASP 621 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2waq h ASP 621 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2waq h ASP 621 CO 0.53 0.00 -0.54 -0.62 -2.88 0.00 0.00 179.24 175.73 2waq n GLU 622 N -2.67 0.62 0.04 0.28 -0.58 -1.26 -3.82 120.64 113.25 2waq n GLU 622 Ca 0.00 -0.46 -0.22 0.00 -0.42 0.00 0.00 57.16 56.07 2waq n GLU 622 Cb 0.19 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.42 2waq n GLU 622 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2waq h TYR 623 N 1.11 0.55 -0.56 -0.32 3.20 -1.67 -3.26 116.97 116.03 2waq h TYR 623 Ca 0.00 -0.40 0.11 0.00 3.14 0.00 0.00 58.73 61.58 2waq h TYR 623 Cb 0.58 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.74 2waq h TYR 623 CO 0.00 1.54 0.03 0.78 -1.64 0.00 0.00 178.16 178.87 2waq h GLY 624 N 0.12 0.61 1.40 1.82 0.00 -1.61 0.11 103.07 105.52 2waq h GLY 624 Ca -0.28 0.05 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2waq h GLY 624 CO 0.11 -0.15 -0.31 1.70 0.00 0.00 0.00 176.54 177.90 2waq h LYS 625 N 0.15 0.68 -0.21 4.80 3.64 -1.74 -2.95 116.57 120.93 2waq h LYS 625 Ca 0.29 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2waq h LYS 625 Cb 0.44 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2waq h LYS 625 CO -0.45 0.90 -0.05 2.35 -2.27 0.00 0.00 179.45 179.93 2waq h TRP 626 N 0.58 0.46 -0.39 1.91 7.01 -1.37 -3.06 115.95 121.09 2waq h TRP 626 Ca 0.07 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 2waq h TRP 626 Cb 0.81 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.74 2waq h TRP 626 CO 0.04 0.65 0.17 1.25 -2.79 0.00 0.00 178.44 177.76 2waq h LEU 627 N 0.14 0.53 -2.47 0.65 5.85 -0.84 -1.21 115.31 117.96 2waq h LEU 627 Ca 0.05 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2waq h LEU 627 Cb 0.50 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2waq h LEU 627 CO 0.02 0.54 0.00 0.24 -0.34 0.00 0.00 178.44 178.90 2waq h MET 628 N 0.49 0.00 0.00 1.25 2.86 -1.59 -1.83 114.93 116.11 2waq h MET 628 Ca 0.13 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2waq h MET 628 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2waq h MET 628 CO -0.01 0.00 -1.44 -0.25 1.06 0.00 0.00 176.91 176.27 2waq n ASP 629 N -3.85 0.68 0.00 1.22 8.00 -0.62 -4.51 116.55 117.46 2waq n ASP 629 Ca -0.03 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2waq n ASP 629 Cb 0.09 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2waq n ASP 629 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2waq n ASN 630 N -2.73 4.23 -0.02 -2.24 3.02 -0.56 -4.39 115.26 112.57 2waq n ASN 630 Ca -0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.30 2waq n ASN 630 Cb 0.74 0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 40.48 2waq n ASN 630 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2waq h LEU 631 N 0.00 0.92 0.00 3.41 5.85 -1.57 -3.12 115.31 120.81 2waq h LEU 631 Ca 0.00 -0.61 -0.14 0.00 0.84 0.00 0.00 57.88 57.97 2waq h LEU 631 Cb 0.41 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2waq h LEU 631 CO 0.00 1.40 -0.73 -0.26 -0.34 0.00 0.00 178.44 178.51 2waq h PHE 632 N 0.53 0.00 0.00 1.25 0.04 -1.79 -2.55 116.94 114.42 2waq h PHE 632 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 2waq h PHE 632 Cb 1.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 2waq h PHE 632 CO 0.08 0.66 -0.24 -0.09 -0.60 0.00 0.00 178.31 178.12 2waq h ARG 633 N 0.00 0.00 -0.14 1.51 2.43 -1.77 -2.52 114.38 113.89 2waq h ARG 633 Ca -0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2waq h ARG 633 Cb 1.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2waq h ARG 633 CO 0.08 0.24 -0.27 0.28 -1.51 0.00 0.00 179.97 178.80 2waq h VAL 634 N 0.00 1.36 -0.69 0.20 2.07 -1.42 -3.06 116.25 114.71 2waq h VAL 634 Ca -0.00 -1.52 0.08 0.00 0.82 0.00 0.00 66.70 66.08 2waq h VAL 634 Cb 0.65 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2waq h VAL 634 CO 0.03 0.45 0.36 -0.26 0.02 0.00 0.00 177.57 178.18 2waq h PHE 635 N 0.04 0.66 -0.32 1.57 0.05 -1.07 -2.79 116.94 115.06 2waq h PHE 635 Ca 0.01 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 2waq h PHE 635 Cb 0.85 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.60 2waq h PHE 635 CO 0.10 0.27 0.01 0.82 -0.18 0.00 0.00 178.31 179.33 2waq h ILE 636 N 0.64 1.25 -0.97 -0.55 1.08 -1.54 -3.02 117.51 114.40 2waq h ILE 636 Ca 0.33 -0.92 0.14 0.00 -0.39 0.00 0.00 64.86 64.02 2waq h ILE 636 Cb 0.29 1.22 -0.09 0.00 -3.07 0.00 0.00 36.82 35.17 2waq h ILE 636 CO -0.23 0.30 0.58 -0.09 -0.69 0.00 0.00 178.15 178.02 2waq h ARG 637 N 0.37 0.83 -0.12 2.37 9.65 -1.39 -1.45 114.38 124.64 2waq h ARG 637 Ca 0.09 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.83 2waq h ARG 637 Cb 0.42 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2waq h ARG 637 CO 0.01 0.55 -0.34 0.35 2.80 0.00 0.00 179.97 183.34 2waq h PHE 638 N 0.85 0.28 -0.64 2.20 3.57 -1.40 -2.90 116.94 118.90 2waq h PHE 638 Ca 0.51 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.89 2waq h PHE 638 Cb 0.63 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2waq h PHE 638 CO -0.02 0.57 0.16 0.28 -2.23 0.00 0.00 178.31 177.07 2waq h VAL 639 N 0.21 1.25 0.00 1.41 2.07 -1.19 0.58 116.25 120.59 2waq h VAL 639 Ca 0.03 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2waq h VAL 639 Cb 0.71 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2waq h VAL 639 CO 0.05 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 2waq n GLU 640 N -4.25 0.04 -0.11 1.57 1.02 -1.10 -0.10 120.64 117.71 2waq n GLU 640 Ca 0.05 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 2waq n GLU 640 Cb 0.24 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 2waq n GLU 640 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2waq n LEU 641 N -1.63 1.92 -0.06 -4.62 4.32 -0.59 -4.67 117.00 111.67 2waq n LEU 641 Ca 0.04 0.38 -0.06 0.00 -0.02 0.00 0.00 56.01 56.35 2waq n LEU 641 Cb 0.20 -0.81 0.14 0.00 -1.62 0.00 0.00 43.42 41.34 2waq n LEU 641 CO 0.16 0.07 0.76 -0.61 -1.22 0.00 0.00 177.39 176.55 2waq h GLN 642 N -1.00 0.69 -0.54 3.23 5.75 0.18 -3.49 115.11 119.92 2waq h GLN 642 Ca -0.29 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2waq h GLN 642 Cb 1.20 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.70 2waq h GLN 642 CO -0.18 0.82 0.00 0.41 -2.65 0.00 0.00 178.83 177.23 2waq n GLY 643 N -0.38 -3.34 2.72 2.39 0.00 0.86 -5.06 105.19 102.38 2waq n GLY 643 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 2waq n GLY 643 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2waq s PHE 644 N -0.42 0.10 0.00 1.61 5.36 -1.26 -5.06 117.98 118.31 2waq s PHE 644 Ca 0.00 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2waq s PHE 644 Cb 0.00 -0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.27 2waq s PHE 644 CO 0.00 -0.16 0.00 -2.37 -1.46 0.00 0.00 175.22 171.23 2waq n THR 645 N 4.80 0.00 -3.64 0.12 5.66 -1.26 -5.13 114.28 114.83 2waq n THR 645 Ca -0.14 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.79 2waq n THR 645 Cb 0.50 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.21 2waq n THR 645 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2waq s MET 646 N 1.67 0.70 -0.04 1.09 1.75 -1.26 -4.75 119.30 118.45 2waq s MET 646 Ca 0.00 1.16 -0.08 0.00 -1.25 0.00 0.00 55.69 55.52 2waq s MET 646 Cb 0.00 0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.84 2waq s MET 646 CO 0.00 -0.14 0.20 -0.98 -0.65 0.00 0.00 175.02 173.45 2waq s ARG 647 N 1.50 0.39 0.60 4.11 1.70 -1.26 -5.04 118.95 120.95 2waq s ARG 647 Ca -0.09 -0.02 0.29 0.00 -0.47 0.00 0.00 55.73 55.44 2waq s ARG 647 Cb -0.05 0.18 1.59 0.00 -0.57 0.00 0.00 34.95 36.09 2waq s ARG 647 CO -0.18 -0.08 1.99 1.25 -1.08 0.00 0.00 175.30 177.20 2waq h LEU 648 N 4.98 0.00 -1.64 -1.89 6.46 -2.02 -0.45 115.31 120.76 2waq h LEU 648 Ca -0.28 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2waq h LEU 648 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2waq h LEU 648 CO 0.39 0.00 0.00 -0.33 -0.62 0.00 0.00 178.44 177.88 2waq h GLU 649 N 0.00 0.00 0.00 1.25 3.07 -1.96 -0.70 114.58 116.24 2waq h GLU 649 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2waq h GLU 649 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2waq h GLU 649 CO -0.00 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.17 2waq h ASP 650 N 0.00 0.00 0.00 1.42 3.32 -1.51 -3.30 116.42 116.35 2waq h ASP 650 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2waq h ASP 650 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2waq h ASP 650 CO 0.00 0.00 -1.57 0.52 -1.72 0.00 0.00 179.24 176.47 2waq n VAL 651 N -2.41 0.58 -2.66 -1.35 0.31 -0.59 -4.79 118.33 107.41 2waq n VAL 651 Ca 0.02 -0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 2waq n VAL 651 Cb 0.29 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 2waq n VAL 651 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2waq s SER 652 N -4.35 7.04 -0.08 4.52 1.04 -0.37 -4.50 113.70 117.00 2waq s SER 652 Ca -0.08 1.28 0.15 0.00 0.48 0.00 0.00 55.95 57.78 2waq s SER 652 Cb 0.03 -2.54 0.49 0.00 0.10 0.00 0.00 66.02 64.10 2waq s SER 652 CO 0.30 -0.72 1.41 0.00 0.98 0.00 0.00 173.24 175.21 2waq n LEU 653 N 6.46 3.70 -2.80 2.42 -0.00 -1.26 -4.89 117.00 120.63 2waq n LEU 653 Ca 0.12 -2.40 -0.34 0.00 -0.00 0.00 0.00 56.01 53.39 2waq n LEU 653 Cb 0.46 -0.42 -0.04 0.00 -0.00 0.00 0.00 43.42 43.43 2waq n LEU 653 CO 0.54 0.75 0.20 0.61 -0.00 0.00 0.00 177.39 179.49 2waq n GLY 654 N 0.42 -0.57 1.15 1.47 0.00 -1.26 -4.36 105.19 102.05 2waq n GLY 654 Ca 0.18 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.68 2waq n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2waq n ASP 655 N 1.08 -6.25 0.00 1.61 9.92 -1.26 -4.73 116.55 116.91 2waq n ASP 655 Ca 0.12 1.21 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 2waq n ASP 655 Cb 0.10 -3.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.66 2waq n ASP 655 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2waq n ASP 656 N -3.63 0.00 0.17 -2.24 2.03 -1.26 -3.36 116.55 108.25 2waq n ASP 656 Ca -0.07 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.27 2waq n ASP 656 Cb 0.52 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.28 2waq n ASP 656 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2waq h VAL 657 N 0.00 1.24 -0.55 5.18 2.07 -1.85 -2.35 116.25 119.99 2waq h VAL 657 Ca 0.00 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.46 2waq h VAL 657 Cb 0.00 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2waq h VAL 657 CO 0.00 0.33 0.37 0.11 0.02 0.00 0.00 177.57 178.40 2waq h LYS 658 N 0.06 0.46 0.00 1.57 1.57 -1.75 -2.23 116.57 116.25 2waq h LYS 658 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2waq h LYS 658 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2waq h LYS 658 CO 0.04 0.30 0.00 0.87 -0.57 0.00 0.00 179.45 180.10 2waq h LYS 659 N 0.47 0.00 -0.40 3.15 1.57 -1.72 -1.46 116.57 118.19 2waq h LYS 659 Ca 0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2waq h LYS 659 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2waq h LYS 659 CO -0.07 0.00 -0.06 0.93 -0.57 0.00 0.00 179.45 179.68 2waq h GLU 660 N 0.00 0.74 -0.32 3.15 5.08 -1.49 -2.04 114.58 119.71 2waq h GLU 660 Ca 0.00 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 2waq h GLU 660 Cb 0.48 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2waq h GLU 660 CO 0.00 0.86 -0.36 0.82 -1.00 0.00 0.00 179.01 179.34 2waq h ILE 661 N 0.56 1.29 0.00 3.13 1.08 -1.46 -2.53 117.51 119.57 2waq h ILE 661 Ca 0.10 -1.54 -0.07 0.00 -0.39 0.00 0.00 64.86 62.97 2waq h ILE 661 Cb 0.57 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2waq h ILE 661 CO 0.03 0.50 -0.34 1.88 -0.69 0.00 0.00 178.15 179.54 2waq h TYR 662 N 0.57 0.00 0.00 1.37 0.99 -1.33 0.28 116.97 118.85 2waq h TYR 662 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2waq h TYR 662 Cb 0.95 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.68 2waq h TYR 662 CO 0.07 0.34 -0.10 -1.71 -0.00 0.00 0.00 178.16 176.76 2waq n ASN 663 N -3.87 0.17 -0.06 3.88 5.15 -0.77 -3.82 115.26 115.95 2waq n ASN 663 Ca -0.01 0.38 -0.01 0.00 -0.60 0.00 0.00 54.58 54.33 2waq n ASN 663 Cb 0.41 -0.39 -0.15 0.00 -0.53 0.00 0.00 39.78 39.12 2waq n ASN 663 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2waq n GLU 664 N -1.58 0.86 -0.07 1.20 4.07 -0.34 -3.86 120.64 120.92 2waq n GLU 664 Ca 0.07 -0.08 -0.15 0.00 -0.06 0.00 0.00 57.16 56.94 2waq n GLU 664 Cb 0.35 -1.46 -0.05 0.00 -0.06 0.00 0.00 31.44 30.22 2waq n GLU 664 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2waq h ILE 665 N 0.00 1.30 0.00 6.31 3.07 -0.62 -0.73 117.51 126.84 2waq h ILE 665 Ca -0.29 -1.64 0.00 0.00 1.55 0.00 0.00 64.86 64.48 2waq h ILE 665 Cb 1.61 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.89 2waq h ILE 665 CO 0.02 0.52 0.00 -2.24 -1.05 0.00 0.00 178.15 175.40 2waq h ASP 666 N 0.46 0.00 0.12 2.16 -0.00 -1.80 -0.07 116.42 117.29 2waq h ASP 666 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 56.92 2waq h ASP 666 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.36 2waq h ASP 666 CO 0.10 0.00 -0.44 -0.09 -0.00 0.00 0.00 179.24 178.81 2waq h ARG 667 N 0.00 0.39 0.05 4.15 2.43 -1.63 -2.54 114.38 117.23 2waq h ARG 667 Ca 0.00 -0.20 -0.25 0.00 -0.81 0.00 0.00 59.98 58.72 2waq h ARG 667 Cb 0.85 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2waq h ARG 667 CO 0.00 0.76 -1.06 0.00 -1.51 0.00 0.00 179.97 178.16 2waq h ALA 668 N 1.21 0.24 -0.73 2.80 0.00 -0.70 -3.27 119.26 118.82 2waq h ALA 668 Ca 0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 2waq h ALA 668 Cb 0.90 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2waq h ALA 668 CO 0.08 0.84 0.27 0.87 0.00 0.00 0.00 179.25 181.30 2waq h LYS 669 N 0.20 1.11 0.00 0.00 1.57 -0.94 -2.06 116.57 116.44 2waq h LYS 669 Ca -0.11 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2waq h LYS 669 Cb 1.73 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.86 2waq h LYS 669 CO 0.18 0.92 0.00 1.33 -0.57 0.00 0.00 179.45 181.32 2waq n VAL 670 N -4.32 0.64 0.50 0.50 0.24 -0.97 0.28 118.33 115.21 2waq n VAL 670 Ca 0.06 0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 2waq n VAL 670 Cb 0.20 -0.84 0.24 0.00 -1.47 0.00 0.00 33.84 31.97 2waq n VAL 670 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2waq h GLU 671 N 0.00 0.00 0.04 7.34 4.81 -1.43 -3.27 114.58 122.06 2waq h GLU 671 Ca 0.00 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 2waq h GLU 671 Cb 0.41 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2waq h GLU 671 CO 0.00 0.00 -2.18 0.28 -0.73 0.00 0.00 179.01 176.38 2waq n VAL 672 N -2.35 1.59 -0.03 0.32 0.31 -0.12 -4.04 118.33 114.01 2waq n VAL 672 Ca 0.04 -0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 63.73 2waq n VAL 672 Cb 0.46 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.60 2waq n VAL 672 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2waq h ASP 673 N -0.31 -1.76 0.83 4.52 3.32 -0.30 0.47 116.42 123.20 2waq h ASP 673 Ca -0.53 0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2waq h ASP 673 Cb 1.81 0.69 0.00 0.00 0.22 0.00 0.00 39.33 42.05 2waq h ASP 673 CO -0.12 -0.47 0.00 -0.55 -1.72 0.00 0.00 179.24 176.38 2waq h ASN 674 N -0.56 0.00 0.92 6.45 -1.07 -1.81 -2.39 115.58 117.13 2waq h ASN 674 Ca 0.04 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.19 2waq h ASN 674 Cb 0.67 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.89 2waq h ASN 674 CO -0.46 0.00 -1.12 0.25 0.07 0.00 0.00 177.43 176.17 2waq h LEU 675 N 0.00 0.00 0.10 6.14 6.46 -1.44 -2.71 115.31 123.86 2waq h LEU 675 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2waq h LEU 675 Cb 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2waq h LEU 675 CO 0.00 0.97 -0.05 0.40 -0.62 0.00 0.00 178.44 179.15 2waq h ILE 676 N 0.00 1.09 0.00 4.05 1.08 -0.42 -3.10 117.51 120.20 2waq h ILE 676 Ca -0.06 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2waq h ILE 676 Cb 1.80 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 2waq h ILE 676 CO 0.12 0.18 0.00 1.56 -0.69 0.00 0.00 178.15 179.32 2waq h GLN 677 N -0.48 0.00 -0.18 2.37 4.20 -1.63 -1.19 115.11 118.19 2waq h GLN 677 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2waq h GLN 677 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2waq h GLN 677 CO 0.02 0.00 0.07 0.87 -0.67 0.00 0.00 178.83 179.12 2waq h LYS 678 N 0.00 0.28 -0.51 1.46 1.57 -1.51 -2.70 116.57 115.16 2waq h LYS 678 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2waq h LYS 678 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2waq h LYS 678 CO 0.00 0.37 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.31 2waq h TYR 679 N 0.13 0.93 0.00 -1.35 3.20 -1.33 -2.59 116.97 115.96 2waq h TYR 679 Ca 0.06 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2waq h TYR 679 Cb 0.20 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2waq h TYR 679 CO -0.01 0.86 0.00 1.63 -1.64 0.00 0.00 178.16 179.00 2waq n LYS 680 N -4.19 0.76 -2.52 1.82 5.02 -0.51 -4.80 118.16 113.74 2waq n LYS 680 Ca 0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 2waq n LYS 680 Cb 0.33 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.01 2waq n LYS 680 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2waq n ASN 681 N -0.81 1.25 0.23 4.39 3.02 -0.98 -5.03 115.26 117.33 2waq n ASN 681 Ca 0.11 -1.46 0.10 0.00 -0.03 0.00 0.00 54.58 53.30 2waq n ASN 681 Cb 0.05 0.19 0.49 0.00 -0.61 0.00 0.00 39.78 39.91 2waq n ASN 681 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2waq h GLY 682 N 0.33 0.00 -4.54 7.41 0.00 -1.87 -3.31 103.07 101.09 2waq h GLY 682 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.89 2waq h GLY 682 CO 0.11 0.00 1.46 -1.84 0.00 0.00 0.00 176.54 176.28 2waq n GLU 683 N -3.45 2.53 -0.28 4.80 0.28 -1.25 -4.67 120.64 118.60 2waq n GLU 683 Ca -0.00 -1.43 -0.03 0.00 -0.16 0.00 0.00 57.16 55.54 2waq n GLU 683 Cb 0.40 -2.31 0.08 0.00 1.43 0.00 0.00 31.44 31.05 2waq n GLU 683 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2waq h LEU 684 N 6.07 0.86 -3.06 -1.84 3.38 -1.64 -3.38 115.31 115.70 2waq h LEU 684 Ca 0.46 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 58.15 2waq h LEU 684 Cb 0.88 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2waq h LEU 684 CO 0.92 0.61 -0.58 -0.62 0.09 0.00 0.00 178.44 178.85 2waq n GLU 685 N -4.57 -1.41 -3.20 1.13 1.02 -1.26 -4.49 120.64 107.85 2waq n GLU 685 Ca 0.09 1.06 -0.39 0.00 -0.02 0.00 0.00 57.16 57.89 2waq n GLU 685 Cb 0.05 -4.09 -0.06 0.00 -0.02 0.00 0.00 31.44 27.33 2waq n GLU 685 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2waq s PRO 686 N -4.18 4.29 -0.26 3.49 0.04 -1.26 -4.93 135.00 132.19 2waq s PRO 686 Ca 0.06 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 61.76 2waq s PRO 686 Cb -0.02 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2waq s PRO 686 CO 0.83 0.62 0.51 0.42 0.04 0.00 0.00 177.00 179.41 2waq s ILE 687 N -1.11 5.07 -0.74 0.56 1.01 -1.26 -4.97 121.20 119.76 2waq s ILE 687 Ca 0.31 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.78 2waq s ILE 687 Cb -0.20 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2waq s ILE 687 CO 0.21 0.09 1.94 -0.81 0.00 0.00 0.00 174.94 176.37 2waq n PRO 688 N 5.51 1.73 -0.05 2.79 -0.04 -1.26 -3.93 135.00 139.76 2waq n PRO 688 Ca -0.04 -1.27 -0.09 0.00 -0.04 0.00 0.00 63.50 62.05 2waq n PRO 688 Cb 0.50 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 2waq n PRO 688 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2waq n GLY 689 N 3.75 -0.15 0.66 0.55 0.00 -1.26 -5.08 105.19 103.67 2waq n GLY 689 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2waq n GLY 689 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2waq n ARG 690 N -3.33 0.00 -4.19 1.61 3.00 -1.25 -5.17 116.66 107.33 2waq n ARG 690 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.50 2waq n ARG 690 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.98 2waq n ARG 690 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2waq s THR 691 N -0.33 1.11 0.18 5.15 2.01 -1.26 -5.05 115.64 117.45 2waq s THR 691 Ca 0.00 -1.47 -0.09 0.00 0.31 0.00 0.00 61.69 60.44 2waq s THR 691 Cb 0.00 -1.23 0.08 0.00 0.01 0.00 0.00 72.50 71.36 2waq s THR 691 CO 0.00 -0.35 1.65 -0.07 -0.69 0.00 0.00 174.62 175.17 2waq h LEU 692 N 3.95 1.07 -0.41 4.42 4.07 -2.00 -2.16 115.31 124.25 2waq h LEU 692 Ca -0.40 -0.29 -0.18 0.00 0.08 0.00 0.00 57.88 57.09 2waq h LEU 692 Cb 1.19 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 2waq h LEU 692 CO 0.45 1.10 -0.77 -0.33 -1.08 0.00 0.00 178.44 177.81 2waq h GLU 693 N 1.01 0.28 -0.09 1.13 5.08 -2.00 -3.24 114.58 116.74 2waq h GLU 693 Ca 0.18 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2waq h GLU 693 Cb 0.53 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2waq h GLU 693 CO 0.03 0.92 -0.60 1.49 -1.00 0.00 0.00 179.01 179.84 2waq h GLU 694 N 0.18 0.30 -0.21 2.33 4.81 -1.96 -3.12 114.58 116.92 2waq h GLU 694 Ca -0.03 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2waq h GLU 694 Cb 1.35 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2waq h GLU 694 CO 0.12 0.81 -0.07 0.66 -0.73 0.00 0.00 179.01 179.81 2waq h SER 695 N 0.22 0.30 -0.52 1.04 4.64 -1.41 0.30 113.55 118.12 2waq h SER 695 Ca -0.01 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2waq h SER 695 Cb 1.12 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 2waq h SER 695 CO 0.10 0.41 0.30 0.25 -0.87 0.00 0.00 176.83 177.02 2waq h LEU 696 N 0.31 0.63 -0.54 5.97 7.12 -1.61 -2.23 115.31 124.96 2waq h LEU 696 Ca 0.07 -0.07 -0.15 0.00 0.13 0.00 0.00 57.88 57.85 2waq h LEU 696 Cb 0.32 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2waq h LEU 696 CO 0.02 0.52 -0.43 -0.33 -0.13 0.00 0.00 178.44 178.09 2waq h GLU 697 N 0.69 0.70 -0.55 1.25 4.39 -1.39 -2.96 114.58 116.71 2waq h GLU 697 Ca 0.18 -0.38 0.09 0.00 0.34 0.00 0.00 59.36 59.59 2waq h GLU 697 Cb 0.02 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 2waq h GLU 697 CO -0.03 0.99 0.17 -0.97 -1.16 0.00 0.00 179.01 178.01 2waq h ASN 698 N 0.57 0.14 -0.05 1.42 -1.24 -0.21 0.55 115.58 116.76 2waq h ASN 698 Ca 0.04 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 2waq h ASN 698 Cb 0.97 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.10 2waq h ASN 698 CO 0.09 0.09 0.01 1.88 -1.29 0.00 0.00 177.43 178.22 2waq h TYR 699 N 0.34 0.09 -0.78 0.67 0.99 -1.41 -2.55 116.97 114.31 2waq h TYR 699 Ca 0.28 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.00 2waq h TYR 699 Cb 0.34 -0.02 -0.04 0.00 1.00 0.00 0.00 36.73 38.01 2waq h TYR 699 CO -0.19 0.28 0.51 0.82 -0.00 0.00 0.00 178.16 179.58 2waq h ILE 700 N -0.13 1.20 -0.22 -2.88 2.04 -1.31 0.17 117.51 116.38 2waq h ILE 700 Ca 0.02 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2waq h ILE 700 Cb 0.24 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2waq h ILE 700 CO 0.00 0.19 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 2waq h LEU 701 N 1.05 0.34 0.20 1.44 3.38 -0.85 -2.19 115.31 118.68 2waq h LEU 701 Ca 0.28 -0.07 -0.32 0.00 0.09 0.00 0.00 57.88 57.86 2waq h LEU 701 Cb -0.12 -0.09 0.04 0.00 0.09 0.00 0.00 40.66 40.58 2waq h LEU 701 CO -0.06 0.49 -1.39 -0.78 0.09 0.00 0.00 178.44 176.78 2waq h ASP 702 N 0.33 0.87 -0.44 -0.43 -0.00 -0.79 -3.08 116.42 112.88 2waq h ASP 702 Ca 0.07 -0.88 -0.04 0.00 -0.00 0.00 0.00 57.03 56.17 2waq h ASP 702 Cb 0.41 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.44 2waq h ASP 702 CO 0.02 1.68 0.10 0.74 -0.00 0.00 0.00 179.24 181.78 2waq h THR 703 N 0.20 1.23 0.00 2.25 2.02 -0.61 0.15 112.91 118.16 2waq h THR 703 Ca -0.23 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.01 2waq h THR 703 Cb 2.07 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 2waq h THR 703 CO 0.26 0.29 -0.54 -0.07 0.37 0.00 0.00 175.52 175.84 2waq h LEU 704 N 0.58 0.00 -0.01 2.58 3.38 -1.54 -1.18 115.31 119.12 2waq h LEU 704 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2waq h LEU 704 Cb 0.33 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.09 2waq h LEU 704 CO 0.00 0.54 -0.83 -0.78 0.09 0.00 0.00 178.44 177.46 2waq h ASP 705 N 0.00 0.74 0.23 -0.43 -0.00 -1.42 -2.88 116.42 112.66 2waq h ASP 705 Ca -0.01 -0.74 -0.04 0.00 -0.00 0.00 0.00 57.03 56.24 2waq h ASP 705 Cb 0.99 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 40.09 2waq h ASP 705 CO 0.07 1.38 -0.18 0.11 -0.00 0.00 0.00 179.24 180.63 2waq h LYS 706 N 0.17 0.00 -0.64 0.28 1.79 -0.60 -2.83 116.57 114.74 2waq h LYS 706 Ca -0.10 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.09 2waq h LYS 706 Cb 1.50 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.99 2waq h LYS 706 CO 0.16 0.18 0.25 1.28 -1.08 0.00 0.00 179.45 180.24 2waq n LEU 707 N -4.14 5.42 -0.04 2.94 4.77 -0.46 -3.63 117.00 121.85 2waq n LEU 707 Ca -0.02 -3.50 -0.05 0.00 -0.03 0.00 0.00 56.01 52.41 2waq n LEU 707 Cb 0.25 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2waq n LEU 707 CO 0.35 1.01 -0.78 -2.11 -1.33 0.00 0.00 177.39 174.53 2waq n ARG 708 N -0.82 2.02 0.14 3.23 -4.01 -1.07 -4.20 116.66 111.96 2waq n ARG 708 Ca 0.42 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 57.25 2waq n ARG 708 Cb 1.31 -1.21 0.17 0.00 -3.04 0.00 0.00 32.46 29.69 2waq n ARG 708 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 2waq h SER 709 N 0.00 0.00 -0.71 2.89 4.64 -1.71 -0.13 113.55 118.53 2waq h SER 709 Ca -0.22 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 2waq h SER 709 Cb 1.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.52 2waq h SER 709 CO -0.00 0.59 0.17 0.74 -0.87 0.00 0.00 176.83 177.46 2waq h THR 710 N 0.00 1.26 0.00 2.95 2.02 -1.80 0.30 112.91 117.65 2waq h THR 710 Ca -0.01 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 2waq h THR 710 Cb 1.14 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2waq h THR 710 CO 0.08 0.38 -0.48 0.00 0.37 0.00 0.00 175.52 175.86 2waq h ALA 711 N 1.09 1.19 -0.17 6.16 0.00 -1.66 -2.95 119.26 122.92 2waq h ALA 711 Ca 0.22 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2waq h ALA 711 Cb 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2waq h ALA 711 CO 0.00 0.60 -0.63 0.78 0.00 0.00 0.00 179.25 180.00 2waq h GLY 712 N 1.47 0.66 0.92 0.00 0.00 -0.39 -2.99 103.07 102.74 2waq h GLY 712 Ca -0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 2waq h GLY 712 CO 0.06 0.74 0.05 -0.55 0.00 0.00 0.00 176.54 176.85 2waq h ASP 713 N 0.44 0.59 -0.86 0.19 5.19 -0.33 -2.89 116.42 118.75 2waq h ASP 713 Ca -0.01 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2waq h ASP 713 Cb 1.21 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 2waq h ASP 713 CO 0.12 0.70 0.46 0.40 -3.12 0.00 0.00 179.24 177.80 2waq h ILE 714 N 0.45 1.26 -0.16 0.35 2.04 -1.61 -2.97 117.51 116.86 2waq h ILE 714 Ca 0.11 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2waq h ILE 714 Cb 0.37 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2waq h ILE 714 CO 0.01 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.45 2waq n ALA 715 N -2.40 2.65 0.00 1.87 0.00 -1.11 -2.59 120.51 118.93 2waq n ALA 715 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2waq n ALA 715 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2waq n ALA 715 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2waq n SER 716 N 0.09 4.16 -0.03 0.00 7.64 -1.11 -4.42 113.62 119.94 2waq n SER 716 Ca 0.06 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.95 2waq n SER 716 Cb 0.31 0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 64.11 2waq n SER 716 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2waq n LYS 717 N -1.41 1.11 -0.13 1.43 4.01 -1.20 -4.11 118.16 117.86 2waq n LYS 717 Ca 0.00 -0.07 0.09 0.00 -0.51 0.00 0.00 58.31 57.82 2waq n LYS 717 Cb 0.13 -1.31 0.30 0.00 -0.51 0.00 0.00 35.03 33.64 2waq n LYS 717 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2waq n TYR 718 N -2.16 0.33 -4.91 2.13 4.02 -1.07 -4.85 117.16 110.65 2waq n TYR 718 Ca -0.10 -0.17 -0.28 0.00 -0.01 0.00 0.00 57.90 57.34 2waq n TYR 718 Cb 0.57 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.74 2waq n TYR 718 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2waq s LEU 719 N -1.37 2.12 -0.33 7.72 0.20 -1.26 -5.02 118.68 120.75 2waq s LEU 719 Ca 0.30 -0.51 -0.39 0.00 0.69 0.00 0.00 54.13 54.23 2waq s LEU 719 Cb 0.16 -1.15 -0.14 0.00 -0.43 0.00 0.00 46.19 44.63 2waq s LEU 719 CO 0.24 0.24 1.98 -0.67 -0.29 0.00 0.00 176.35 177.84 2waq n ASP 720 N 2.07 2.11 0.15 3.68 2.03 -1.26 -4.75 116.55 120.58 2waq n ASP 720 Ca -0.16 0.76 0.13 0.00 0.52 0.00 0.00 54.79 56.03 2waq n ASP 720 Cb 0.52 -1.16 0.52 0.00 -0.72 0.00 0.00 41.12 40.28 2waq n ASP 720 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2waq h PRO 721 N 9.58 0.00 -0.21 -0.67 0.11 -1.93 -3.29 132.00 135.59 2waq h PRO 721 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2waq h PRO 721 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2waq h PRO 721 CO 1.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.98 2waq n PHE 722 N -2.36 0.29 -2.60 0.65 3.01 -1.26 -4.41 117.46 110.77 2waq n PHE 722 Ca 0.02 -0.51 -0.33 0.00 1.01 0.00 0.00 57.45 57.64 2waq n PHE 722 Cb 0.25 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.63 2waq n PHE 722 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2waq s ASN 723 N -1.03 6.62 0.25 4.37 6.03 -1.24 -4.79 114.94 125.15 2waq s ASN 723 Ca 0.15 1.75 -0.13 0.00 -1.03 0.00 0.00 52.86 53.60 2waq s ASN 723 Cb 0.08 -2.54 0.34 0.00 -3.03 0.00 0.00 41.25 36.10 2waq s ASN 723 CO 0.10 -0.59 1.57 -0.26 -2.03 0.00 0.00 177.10 175.89 2waq h PHE 724 N 1.52 -0.72 -0.06 1.54 -1.00 -1.94 0.14 116.94 116.41 2waq h PHE 724 Ca -0.49 0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.30 2waq h PHE 724 Cb 1.20 0.46 -0.01 0.00 3.61 0.00 0.00 35.95 41.20 2waq h PHE 724 CO 0.60 -0.40 -0.37 0.00 -1.61 0.00 0.00 178.31 176.54 2waq h ALA 725 N 1.68 1.28 0.00 2.45 0.00 -1.90 0.16 119.26 122.92 2waq h ALA 725 Ca 0.40 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2waq h ALA 725 Cb 0.64 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2waq h ALA 725 CO -0.95 0.51 -1.09 -0.92 0.00 0.00 0.00 179.25 176.81 2waq h TYR 726 N 0.11 0.00 -0.01 0.00 5.03 -1.53 -3.23 116.97 117.34 2waq h TYR 726 Ca 0.01 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.20 2waq h TYR 726 Cb 0.70 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2waq h TYR 726 CO 0.01 0.66 -0.55 0.28 -1.32 0.00 0.00 178.16 177.24 2waq h VAL 727 N 0.00 1.39 0.11 1.81 2.07 -0.36 -3.19 116.25 118.09 2waq h VAL 727 Ca -0.10 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.56 2waq h VAL 727 Cb 1.60 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 2waq h VAL 727 CO 0.07 0.54 -0.36 -0.03 0.02 0.00 0.00 177.57 177.81 2waq h MET 728 N 0.01 -0.57 -7.38 1.57 4.05 -0.72 -3.28 114.93 108.62 2waq h MET 728 Ca -0.00 0.04 -0.48 0.00 -0.28 0.00 0.00 59.70 58.97 2waq h MET 728 Cb 0.97 0.13 0.13 0.00 -0.80 0.00 0.00 31.60 32.04 2waq h MET 728 CO 0.07 -0.38 0.29 0.00 0.23 0.00 0.00 176.91 177.12 2waq s ALA 729 N -5.97 1.81 0.00 0.39 0.00 -1.21 -3.67 121.76 113.12 2waq s ALA 729 Ca -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2waq s ALA 729 Cb 0.08 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2waq s ALA 729 CO 0.64 -2.12 0.00 0.54 0.00 0.00 0.00 175.76 174.82 2waq n ARG 730 N -3.71 0.00 -2.92 0.00 1.74 -1.26 -4.67 116.66 105.84 2waq n ARG 730 Ca 0.07 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.89 2waq n ARG 730 Cb 0.56 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 2waq n ARG 730 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2waq n THR 731 N -0.83 2.68 0.00 0.55 -2.24 -1.24 -1.86 114.28 111.34 2waq n THR 731 Ca 0.00 -5.40 0.00 0.00 -2.27 0.00 0.00 64.05 56.38 2waq n THR 731 Cb 0.00 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 2waq n THR 731 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2waq n GLY 732 N -0.22 0.23 0.00 3.38 0.00 -1.25 -4.51 105.19 102.82 2waq n GLY 732 Ca 0.31 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2waq n GLY 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq n ALA 733 N 2.67 0.00 0.00 4.61 0.00 -1.25 -2.83 120.51 123.70 2waq n ALA 733 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2waq n ALA 733 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2waq n ALA 733 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2waq n ARG 734 N 0.00 0.00 0.03 0.00 1.74 -1.26 -4.36 116.66 112.81 2waq n ARG 734 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2waq n ARG 734 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2waq n ARG 734 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2waq n GLY 735 N 0.00 -0.08 3.01 -0.13 0.00 -1.13 -4.75 105.19 102.12 2waq n GLY 735 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2waq n GLY 735 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2waq n SER 736 N -3.49 -3.85 0.00 1.61 2.88 -1.26 -4.72 113.62 104.79 2waq n SER 736 Ca -0.01 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 2waq n SER 736 Cb 0.05 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.47 2waq n SER 736 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2waq n VAL 737 N -3.97 0.00 0.56 2.46 0.24 -1.26 -1.84 118.33 114.52 2waq n VAL 737 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2waq n VAL 737 Cb 0.59 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2waq n VAL 737 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2waq n LEU 738 N 0.00 1.63 0.00 1.34 7.99 -1.26 -1.14 117.00 125.55 2waq n LEU 738 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 56.01 55.19 2waq n LEU 738 Cb 0.00 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.03 2waq n LEU 738 CO 0.00 0.27 -0.04 -0.46 -1.51 0.00 0.00 177.39 175.66 2waq n ASN 739 N 0.70 0.38 -0.14 -1.43 6.94 -0.77 -4.43 115.26 116.50 2waq n ASN 739 Ca 0.00 -0.30 -0.11 0.00 -0.02 0.00 0.00 54.58 54.15 2waq n ASN 739 Cb 0.27 0.68 -0.01 0.00 -2.36 0.00 0.00 39.78 38.36 2waq n ASN 739 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2waq h ILE 740 N 0.00 1.27 -0.65 1.53 1.08 -1.36 -2.78 117.51 116.61 2waq h ILE 740 Ca 0.00 -1.19 0.12 0.00 -0.39 0.00 0.00 64.86 63.39 2waq h ILE 740 Cb 0.00 1.19 -0.09 0.00 -3.07 0.00 0.00 36.82 34.85 2waq h ILE 740 CO 0.00 0.40 0.20 0.74 -0.69 0.00 0.00 178.15 178.80 2waq h THR 741 N 0.62 0.68 -0.82 -0.27 2.02 -1.81 0.29 112.91 113.62 2waq h THR 741 Ca 0.11 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.19 2waq h THR 741 Cb 0.63 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2waq h THR 741 CO 0.04 0.06 0.53 1.56 0.37 0.00 0.00 175.52 178.08 2waq h GLN 742 N 0.35 1.01 -0.06 6.66 4.20 -1.60 0.52 115.11 126.20 2waq h GLN 742 Ca 0.34 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.81 2waq h GLN 742 Cb 0.49 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2waq h GLN 742 CO -0.38 0.67 -0.74 0.52 -0.67 0.00 0.00 178.83 178.23 2waq h MET 743 N 1.04 0.33 0.00 1.46 2.86 -1.01 -3.11 114.93 116.51 2waq h MET 743 Ca 0.32 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2waq h MET 743 Cb -0.02 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2waq h MET 743 CO -0.10 0.94 -0.93 0.00 1.06 0.00 0.00 176.91 177.88 2waq n ALA 744 N -2.50 0.74 -0.39 6.32 0.00 0.93 -2.60 120.51 123.02 2waq n ALA 744 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2waq n ALA 744 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.18 2waq n ALA 744 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2waq n ALA 745 N -4.12 0.00 -3.31 0.00 0.00 0.18 -4.74 120.51 108.51 2waq n ALA 745 Ca -0.15 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2waq n ALA 745 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2waq n ALA 745 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2waq s MET 746 N -0.61 1.14 0.23 0.00 0.00 -0.75 -3.82 119.30 115.49 2waq s MET 746 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 55.69 55.46 2waq s MET 746 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 34.83 35.34 2waq s MET 746 CO 0.00 -0.45 1.35 -0.07 0.00 0.00 0.00 175.02 175.85 2waq h LEU 747 N 2.42 0.00 0.00 0.18 3.38 -1.48 -3.28 115.31 116.54 2waq h LEU 747 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2waq h LEU 747 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2waq h LEU 747 CO 0.41 0.60 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2waq n GLY 748 N 1.27 -1.90 3.60 0.83 0.00 -1.10 -4.80 105.19 103.08 2waq n GLY 748 Ca 0.00 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 2waq n GLY 748 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2waq s GLN 749 N 0.00 3.79 0.51 1.61 2.00 -1.26 -1.65 119.66 124.66 2waq s GLN 749 Ca 0.00 0.54 -0.19 0.00 -2.00 0.00 0.00 55.36 53.71 2waq s GLN 749 Cb 0.00 -3.83 -0.07 0.00 0.80 0.00 0.00 33.01 29.91 2waq s GLN 749 CO 0.00 -1.04 1.03 -0.65 -0.50 0.00 0.00 175.29 174.13 2waq s GLN 750 N 3.65 3.72 0.01 1.67 -1.52 -1.13 -4.96 119.66 121.09 2waq s GLN 750 Ca 0.40 1.26 -0.17 0.00 -1.95 0.00 0.00 55.36 54.89 2waq s GLN 750 Cb -0.11 -2.09 0.03 0.00 -0.22 0.00 0.00 33.01 30.62 2waq s GLN 750 CO 0.21 -0.49 0.38 -1.54 -0.25 0.00 0.00 175.29 173.60 2waq s SER 751 N -2.33 -0.26 -0.22 5.90 1.04 -1.26 -4.35 113.70 112.22 2waq s SER 751 Ca 0.65 0.08 -0.05 0.00 0.48 0.00 0.00 55.95 57.11 2waq s SER 751 Cb -0.15 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2waq s SER 751 CO 0.25 -0.55 0.00 0.68 0.98 0.00 0.00 173.24 174.60 2waq s VAL 752 N -1.84 3.86 -1.05 5.02 -7.23 -0.92 -4.50 120.40 113.73 2waq s VAL 752 Ca -0.10 -0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 2waq s VAL 752 Cb -0.03 -2.76 0.03 0.00 0.56 0.00 0.00 36.38 34.18 2waq s VAL 752 CO 0.02 0.40 0.62 0.54 -0.31 0.00 0.00 175.10 176.37 2waq n ARG 753 N 4.60 -0.57 0.00 4.82 1.74 -1.26 -3.26 116.66 122.73 2waq n ARG 753 Ca -0.17 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2waq n ARG 753 Cb 0.51 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 2waq n ARG 753 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2waq n GLY 754 N -1.92 1.96 4.00 -0.13 0.00 -1.26 -5.00 105.19 102.83 2waq n GLY 754 Ca -0.16 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 2waq n GLY 754 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2waq s GLU 755 N 0.00 2.08 1.25 1.61 2.02 -1.20 -5.00 118.70 119.46 2waq s GLU 755 Ca 0.00 -1.13 -0.18 0.00 0.02 0.00 0.00 54.97 53.69 2waq s GLU 755 Cb 0.00 -2.45 0.31 0.00 0.10 0.00 0.00 34.13 32.08 2waq s GLU 755 CO 0.00 -1.08 1.01 1.03 0.02 0.00 0.00 175.26 176.24 2waq s ARG 756 N -4.91 -1.61 -0.37 1.61 0.52 -1.26 -2.18 118.95 110.76 2waq s ARG 756 Ca 0.62 0.36 -0.27 0.00 -0.52 0.00 0.00 55.73 55.92 2waq s ARG 756 Cb -0.07 -1.51 0.02 0.00 0.52 0.00 0.00 34.95 33.91 2waq s ARG 756 CO 0.41 -4.06 1.00 0.42 0.02 0.00 0.00 175.30 173.09 2waq s ILE 757 N -2.55 4.51 0.00 1.52 1.01 -1.19 -4.40 121.20 120.10 2waq s ILE 757 Ca 0.69 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.71 2waq s ILE 757 Cb -0.17 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 37.90 2waq s ILE 757 CO 0.60 -0.58 0.00 0.29 0.00 0.00 0.00 174.94 175.25 2waq n LYS 758 N 6.94 2.01 -2.22 2.79 5.02 -1.26 -4.68 118.16 126.76 2waq n LYS 758 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2waq n LYS 758 Cb 0.48 -0.84 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 2waq n LYS 758 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2waq s ARG 759 N -1.42 4.20 0.00 1.97 0.52 -1.26 -4.40 118.95 118.56 2waq s ARG 759 Ca 0.00 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.12 2waq s ARG 759 Cb 0.00 -3.87 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2waq s ARG 759 CO 0.00 -0.78 0.00 0.41 0.02 0.00 0.00 175.30 174.95 2waq n GLY 760 N 3.88 -1.97 3.60 -3.53 0.00 -1.26 -4.84 105.19 101.06 2waq n GLY 760 Ca 0.16 0.76 -0.24 0.00 0.00 0.00 0.00 46.02 46.70 2waq n GLY 760 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2waq s TYR 761 N 0.19 2.61 0.67 1.61 2.02 0.73 -5.00 117.35 120.18 2waq s TYR 761 Ca 0.00 -0.24 0.31 0.00 -0.37 0.00 0.00 57.07 56.77 2waq s TYR 761 Cb 0.00 -1.17 1.69 0.00 -0.40 0.00 0.00 41.96 42.08 2waq s TYR 761 CO 0.00 0.62 1.95 0.52 -1.57 0.00 0.00 175.55 177.07 2waq h MET 762 N 2.10 0.00 0.00 -0.62 2.86 -1.99 -3.06 114.93 114.22 2waq h MET 762 Ca -0.44 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.01 2waq h MET 762 Cb 1.24 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 2waq h MET 762 CO 0.59 0.00 -1.50 2.41 1.06 0.00 0.00 176.91 179.47 2waq n THR 763 N -2.91 1.17 -4.31 2.22 -1.04 -1.26 -5.06 114.28 103.09 2waq n THR 763 Ca -0.02 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.05 61.76 2waq n THR 763 Cb 0.36 -1.88 -0.10 0.00 -1.82 0.00 0.00 70.33 66.89 2waq n THR 763 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2waq s ARG 764 N -2.44 1.28 0.06 -2.82 3.00 -1.16 -4.00 118.95 112.87 2waq s ARG 764 Ca -0.23 -1.62 -0.16 0.00 0.00 0.00 0.00 55.73 53.71 2waq s ARG 764 Cb 0.07 -0.64 -0.17 0.00 0.00 0.00 0.00 34.95 34.21 2waq s ARG 764 CO 0.31 -0.05 1.25 1.15 0.00 0.00 0.00 175.30 177.96 2waq h THR 765 N 2.54 1.34 -3.58 0.02 2.02 -1.80 0.21 112.91 113.66 2waq h THR 765 Ca -0.38 -1.87 -0.36 0.00 0.77 0.00 0.00 66.41 64.57 2waq h THR 765 Cb 1.22 2.13 -0.17 0.00 -1.74 0.00 0.00 68.15 69.59 2waq h THR 765 CO 0.64 0.57 -0.74 -0.76 0.37 0.00 0.00 175.52 175.61 2waq s LEU 766 N -8.54 2.43 -0.15 2.58 2.01 -1.26 -4.11 118.68 111.65 2waq s LEU 766 Ca -0.12 -0.86 -0.00 0.00 0.01 0.00 0.00 54.13 53.16 2waq s LEU 766 Cb 0.06 -0.41 0.13 0.00 0.01 0.00 0.00 46.19 45.98 2waq s LEU 766 CO 0.85 -0.23 1.75 -0.81 1.01 0.00 0.00 176.35 178.92 2waq n PRO 767 N 0.37 1.38 0.00 1.29 -0.04 -1.26 -3.12 135.00 133.62 2waq n PRO 767 Ca -0.14 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2waq n PRO 767 Cb 0.58 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2waq n PRO 767 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2waq n HIS 768 N 0.63 0.00 -4.75 0.54 8.25 -1.26 -5.02 115.22 113.61 2waq n HIS 768 Ca 0.15 -0.19 -0.30 0.00 -0.26 0.00 0.00 57.72 57.13 2waq n HIS 768 Cb 0.62 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.57 2waq n HIS 768 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2waq s PHE 769 N -0.37 2.34 0.33 4.41 0.40 -1.18 -5.12 117.98 118.79 2waq s PHE 769 Ca 0.00 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.65 2waq s PHE 769 Cb 0.00 -1.36 -0.11 0.00 0.51 0.00 0.00 43.02 42.06 2waq s PHE 769 CO 0.00 0.19 1.44 0.15 0.70 0.00 0.00 175.22 177.71 2waq s LYS 770 N -1.47 4.21 -0.01 0.44 1.02 -1.26 -4.91 119.74 117.75 2waq s LYS 770 Ca 0.13 2.43 -0.40 0.00 0.02 0.00 0.00 55.97 58.15 2waq s LYS 770 Cb -0.10 -3.03 -0.19 0.00 -0.52 0.00 0.00 37.83 33.99 2waq s LYS 770 CO 0.03 -0.43 1.18 -2.30 -0.92 0.00 0.00 175.35 172.91 2waq n PRO 771 N 1.11 0.30 -2.86 -1.68 -0.02 -1.26 -2.96 135.00 127.62 2waq n PRO 771 Ca 0.03 0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 2waq n PRO 771 Cb 0.40 -1.64 0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2waq n PRO 771 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2waq n TYR 772 N 1.95 -1.99 -4.15 6.00 4.01 -1.26 -5.04 117.16 116.67 2waq n TYR 772 Ca 0.20 0.70 -0.34 0.00 -0.16 0.00 0.00 57.90 58.30 2waq n TYR 772 Cb 0.10 -3.76 -0.14 0.00 -0.31 0.00 0.00 39.34 35.23 2waq n TYR 772 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2waq s ASP 773 N -3.25 4.40 0.00 7.72 3.68 -1.15 -4.97 116.67 123.10 2waq s ASP 773 Ca 0.32 -0.31 0.04 0.00 2.13 0.00 0.00 52.55 54.73 2waq s ASP 773 Cb -0.04 -1.74 0.02 0.00 -1.45 0.00 0.00 42.92 39.71 2waq s ASP 773 CO 0.58 0.05 0.53 -0.38 0.13 0.00 0.00 175.17 176.08 2waq n ILE 774 N 4.31 0.00 -1.89 4.11 5.41 -1.26 -4.84 119.36 125.21 2waq n ILE 774 Ca -0.18 -0.48 -0.38 0.00 1.00 0.00 0.00 62.75 62.71 2waq n ILE 774 Cb 0.52 1.07 0.03 0.00 -0.71 0.00 0.00 39.64 40.54 2waq n ILE 774 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2waq s SER 775 N -0.55 5.55 0.33 4.38 1.04 -1.26 -4.87 113.70 118.32 2waq s SER 775 Ca 0.04 2.69 0.12 0.00 0.48 0.00 0.00 55.95 59.28 2waq s SER 775 Cb 0.03 -2.63 1.03 0.00 0.10 0.00 0.00 66.02 64.55 2waq s SER 775 CO 0.07 -1.38 1.63 -0.65 0.98 0.00 0.00 173.24 173.89 2waq h PRO 776 N 1.71 0.17 -0.18 4.02 0.11 -1.96 -0.15 132.00 135.72 2waq h PRO 776 Ca -0.51 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.62 2waq h PRO 776 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2waq h PRO 776 CO 0.58 0.11 0.02 0.93 -0.21 0.00 0.00 178.00 179.44 2waq h GLU 777 N 0.18 0.09 0.00 1.05 3.07 -1.90 -2.32 114.58 114.74 2waq h GLU 777 Ca 0.71 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 2waq h GLU 777 Cb 1.64 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 2waq h GLU 777 CO -0.70 0.06 0.00 0.00 -1.40 0.00 0.00 179.01 176.97 2waq n ALA 778 N -2.27 2.34 -0.06 3.43 0.00 -0.07 -3.25 120.51 120.63 2waq n ALA 778 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2waq n ALA 778 Cb 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2waq n ALA 778 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2waq n ARG 779 N -0.76 3.14 0.00 0.00 5.12 -1.15 -4.54 116.66 118.47 2waq n ARG 779 Ca 0.10 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2waq n ARG 779 Cb 0.04 -0.32 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 2waq n ARG 779 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2waq n GLY 780 N 0.46 -0.30 3.65 -0.13 0.00 -1.16 -3.14 105.19 104.57 2waq n GLY 780 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2waq n GLY 780 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2waq s PHE 781 N -0.57 2.72 -0.31 1.61 5.36 -0.88 -2.85 117.98 123.06 2waq s PHE 781 Ca 0.00 0.90 -0.12 0.00 -0.96 0.00 0.00 56.93 56.75 2waq s PHE 781 Cb 0.00 -3.64 -0.03 0.00 -0.34 0.00 0.00 43.02 39.01 2waq s PHE 781 CO 0.00 -1.90 0.24 0.42 -1.46 0.00 0.00 175.22 172.52 2waq s ILE 782 N 3.80 5.28 0.05 3.12 1.01 -0.66 -4.48 121.20 129.32 2waq s ILE 782 Ca 0.57 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 2waq s ILE 782 Cb -0.21 -3.64 -0.29 0.00 0.01 0.00 0.00 42.46 38.33 2waq s ILE 782 CO 0.18 0.11 1.06 1.88 0.00 0.00 0.00 174.94 178.18 2waq h TYR 783 N 8.41 0.53 -4.52 3.97 0.05 -1.94 -2.90 116.97 120.57 2waq h TYR 783 Ca -0.33 -0.38 -0.48 0.00 0.05 0.00 0.00 58.73 57.58 2waq h TYR 783 Cb 1.17 -0.02 0.09 0.00 1.01 0.00 0.00 36.73 38.98 2waq h TYR 783 CO 0.72 1.33 0.41 -1.54 -1.05 0.00 0.00 178.16 178.02 2waq s SER 784 N -7.14 5.01 0.52 3.88 1.04 -1.26 -4.46 113.70 111.28 2waq s SER 784 Ca -0.06 1.00 0.05 0.00 0.48 0.00 0.00 55.95 57.43 2waq s SER 784 Cb 0.07 -1.68 0.02 0.00 0.10 0.00 0.00 66.02 64.53 2waq s SER 784 CO 0.88 -1.61 0.34 -0.94 0.98 0.00 0.00 173.24 172.89 2waq s SER 785 N -4.42 4.59 0.41 7.02 1.04 -1.25 -3.07 113.70 118.02 2waq s SER 785 Ca 0.60 -1.24 0.29 0.00 0.48 0.00 0.00 55.95 56.08 2waq s SER 785 Cb -0.11 0.26 1.32 0.00 0.10 0.00 0.00 66.02 67.58 2waq s SER 785 CO 0.51 -0.99 1.87 -0.26 0.98 0.00 0.00 173.24 175.35 2waq h PHE 786 N 0.91 0.00 0.04 5.02 0.05 -1.63 -0.64 116.94 120.69 2waq h PHE 786 Ca -0.38 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.40 2waq h PHE 786 Cb 1.30 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.25 2waq h PHE 786 CO 0.97 0.00 -0.02 -0.09 -0.18 0.00 0.00 178.31 178.99 2waq h ARG 787 N 0.00 -0.05 0.07 1.51 1.12 -1.79 -3.36 114.38 111.88 2waq h ARG 787 Ca 0.00 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.62 2waq h ARG 787 Cb 0.30 0.01 0.02 0.00 -0.01 0.00 0.00 29.97 30.29 2waq h ARG 787 CO 0.00 0.62 -1.05 1.15 -3.11 0.00 0.00 179.97 177.58 2waq h THR 788 N -0.83 1.32 0.00 0.20 2.02 -1.84 -3.50 112.91 110.28 2waq h THR 788 Ca -0.01 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 2waq h THR 788 Cb 0.69 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2waq h THR 788 CO 0.01 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.21 2waq n GLY 789 N 1.27 3.18 3.78 2.16 0.00 -0.25 -5.00 105.19 110.32 2waq n GLY 789 Ca -0.12 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2waq n GLY 789 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2waq s LEU 790 N 0.00 4.27 0.75 0.99 2.01 -1.26 -4.57 118.68 120.87 2waq s LEU 790 Ca 0.00 1.87 -0.11 0.00 0.01 0.00 0.00 54.13 55.90 2waq s LEU 790 Cb 0.00 -4.09 0.04 0.00 0.01 0.00 0.00 46.19 42.15 2waq s LEU 790 CO 0.00 -0.18 1.08 -0.54 1.01 0.00 0.00 176.35 177.72 2waq s LYS 791 N -2.24 2.48 0.26 1.70 1.02 -1.26 -4.76 119.74 116.94 2waq s LYS 791 Ca 0.53 1.07 -0.01 0.00 0.02 0.00 0.00 55.97 57.57 2waq s LYS 791 Cb -0.18 -1.93 0.54 0.00 -0.52 0.00 0.00 37.83 35.73 2waq s LYS 791 CO 0.24 -1.46 1.76 -1.35 -0.92 0.00 0.00 175.35 173.62 2waq h PRO 792 N -0.99 0.60 -0.21 -1.68 0.11 -2.00 0.34 132.00 128.17 2waq h PRO 792 Ca -0.44 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2waq h PRO 792 Cb 1.23 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2waq h PRO 792 CO 0.54 0.40 -0.29 1.79 -0.21 0.00 0.00 178.00 180.22 2waq h THR 793 N 0.62 1.33 -0.26 -1.15 1.35 -2.02 -3.27 112.91 109.51 2waq h THR 793 Ca 0.46 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 64.82 2waq h THR 793 Cb 0.66 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2waq h THR 793 CO -0.37 0.46 0.10 -0.33 -0.25 0.00 0.00 175.52 175.14 2waq h GLU 794 N 0.25 0.36 0.00 4.72 5.08 -1.62 -1.96 114.58 121.41 2waq h GLU 794 Ca 0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2waq h GLU 794 Cb 0.87 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2waq h GLU 794 CO 0.07 0.30 -0.24 1.25 -1.00 0.00 0.00 179.01 179.39 2waq h LEU 795 N 0.36 0.00 0.06 1.33 5.85 -0.42 -2.28 115.31 120.21 2waq h LEU 795 Ca 0.09 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 2waq h LEU 795 Cb 0.08 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.12 2waq h LEU 795 CO -0.01 0.24 -0.67 0.15 -0.34 0.00 0.00 178.44 177.80 2waq h PHE 796 N 0.00 0.57 -0.38 1.25 3.57 -1.45 -3.12 116.94 117.39 2waq h PHE 796 Ca -0.00 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 2waq h PHE 796 Cb 0.50 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2waq h PHE 796 CO 0.00 1.21 0.07 0.74 -2.23 0.00 0.00 178.31 178.09 2waq h PHE 797 N -0.22 0.58 -0.41 0.41 -1.00 -1.32 -2.14 116.94 112.84 2waq h PHE 797 Ca -0.10 -0.04 -0.11 0.00 2.81 0.00 0.00 57.97 60.52 2waq h PHE 797 Cb 1.43 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.81 2waq h PHE 797 CO 0.17 0.52 -0.18 1.25 -1.61 0.00 0.00 178.31 178.45 2waq h HIS 798 N 0.55 0.98 -0.73 -0.55 2.76 -1.52 -2.82 115.15 113.82 2waq h HIS 798 Ca 0.13 -0.24 -0.02 0.00 -2.20 0.00 0.00 60.37 58.03 2waq h HIS 798 Cb 0.25 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 2waq h HIS 798 CO 0.01 1.01 0.36 0.00 -1.30 0.00 0.00 177.93 178.00 2waq h ALA 799 N 0.82 0.94 -0.74 5.26 0.00 -1.40 0.12 119.26 124.27 2waq h ALA 799 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2waq h ALA 799 Cb 0.74 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2waq h ALA 799 CO 0.06 0.50 0.49 0.00 0.00 0.00 0.00 179.25 180.30 2waq h ALA 800 N 1.18 1.47 -0.07 0.00 0.00 -1.37 0.23 119.26 120.70 2waq h ALA 800 Ca 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2waq h ALA 800 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2waq h ALA 800 CO -0.03 0.49 -0.07 0.78 0.00 0.00 0.00 179.25 180.41 2waq h GLY 801 N 1.00 0.19 2.00 0.00 0.00 -1.16 -3.19 103.07 101.91 2waq h GLY 801 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2waq h GLY 801 CO -0.06 0.17 0.00 -1.33 0.00 0.00 0.00 176.54 175.32 2waq h GLY 802 N -0.27 0.00 2.00 4.60 0.00 -0.30 -2.07 103.07 107.03 2waq h GLY 802 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2waq h GLY 802 CO 0.02 0.00 -0.41 -0.09 0.00 0.00 0.00 176.54 176.05 2waq h ARG 803 N 0.00 0.00 -0.15 4.80 9.65 -0.55 -3.29 114.38 124.85 2waq h ARG 803 Ca 0.00 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.71 2waq h ARG 803 Cb 0.22 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2waq h ARG 803 CO 0.00 0.41 -0.63 0.93 2.80 0.00 0.00 179.97 183.49 2waq h GLU 804 N 0.00 0.52 -0.37 0.20 4.39 -1.46 -2.67 114.58 115.19 2waq h GLU 804 Ca -0.00 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.25 2waq h GLU 804 Cb 0.77 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2waq h GLU 804 CO 0.05 0.98 -0.10 0.78 -1.16 0.00 0.00 179.01 179.57 2waq h GLY 805 N 1.10 0.70 1.63 -3.84 0.00 -1.70 -1.70 103.07 99.26 2waq h GLY 805 Ca -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2waq h GLY 805 CO 0.11 0.46 0.10 1.41 0.00 0.00 0.00 176.54 178.62 2waq h LEU 806 N 0.59 0.44 0.00 3.11 3.38 -1.55 0.21 115.31 121.50 2waq h LEU 806 Ca 0.11 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2waq h LEU 806 Cb 0.52 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2waq h LEU 806 CO 0.03 0.43 -1.31 0.58 0.09 0.00 0.00 178.44 178.26 2waq h VAL 807 N 0.48 0.70 -0.02 1.22 2.07 -1.38 -3.26 116.25 116.06 2waq h VAL 807 Ca 0.12 -2.27 -0.18 0.00 0.82 0.00 0.00 66.70 65.19 2waq h VAL 807 Cb 0.16 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2waq h VAL 807 CO -0.01 0.40 -0.78 -0.78 0.02 0.00 0.00 177.57 176.42 2waq h ASP 808 N 0.00 0.23 -0.88 0.57 3.58 -1.01 -2.29 116.42 116.62 2waq h ASP 808 Ca -0.15 -0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.21 2waq h ASP 808 Cb 1.65 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.57 2waq h ASP 808 CO 0.06 0.92 0.57 0.74 -2.88 0.00 0.00 179.24 178.65 2waq h THR 809 N 0.12 1.00 0.48 2.25 2.02 -0.67 -3.09 112.91 115.02 2waq h THR 809 Ca -0.03 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2waq h THR 809 Cb 1.37 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2waq h THR 809 CO 0.12 0.17 -0.23 0.00 0.37 0.00 0.00 175.52 175.94 2waq h ALA 810 N 1.55 -0.65 -3.21 6.16 0.00 -1.56 -3.44 119.26 118.11 2waq h ALA 810 Ca 0.39 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 54.50 2waq h ALA 810 Cb 0.33 0.25 -0.39 0.00 0.00 0.00 0.00 17.79 17.98 2waq h ALA 810 CO -0.16 -0.61 -0.49 0.08 0.00 0.00 0.00 179.25 178.07 2waq s VAL 811 N -3.75 3.13 0.00 0.00 1.01 -0.88 -4.37 120.40 115.54 2waq s VAL 811 Ca -0.10 -3.51 0.00 0.00 0.00 0.00 0.00 61.98 58.37 2waq s VAL 811 Cb 0.01 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2waq s VAL 811 CO 0.31 -0.90 0.00 -1.14 0.00 0.00 0.00 175.10 173.37 2waq n ARG 812 N 2.86 0.00 0.21 2.72 0.63 -1.24 -4.78 116.66 117.06 2waq n ARG 812 Ca 0.11 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.08 2waq n ARG 812 Cb 0.35 -0.24 0.46 0.00 0.45 0.00 0.00 32.46 33.48 2waq n ARG 812 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2waq h THR 813 N 0.00 1.15 -1.03 5.15 2.02 -1.86 0.91 112.91 119.24 2waq h THR 813 Ca 0.00 -0.86 0.27 0.00 0.77 0.00 0.00 66.41 66.60 2waq h THR 813 Cb 0.00 1.47 -0.12 0.00 -1.74 0.00 0.00 68.15 67.76 2waq h THR 813 CO 0.00 0.24 0.62 0.28 0.37 0.00 0.00 175.52 177.04 2waq h SER 814 N 0.00 0.57 0.00 4.18 0.02 -1.89 -1.84 113.55 114.60 2waq h SER 814 Ca -0.00 0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2waq h SER 814 Cb 0.45 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2waq h SER 814 CO 0.03 0.05 -1.28 0.00 -1.14 0.00 0.00 176.83 174.49 2waq n GLN 815 N -4.84 0.53 -0.19 3.45 6.02 -0.50 -4.02 117.38 117.83 2waq n GLN 815 Ca 0.28 0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 57.65 2waq n GLN 815 Cb 0.85 -1.64 0.02 0.00 1.02 0.00 0.00 30.24 30.49 2waq n GLN 815 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2waq h SER 816 N -1.00 0.73 -0.02 1.08 0.87 -0.88 -1.79 113.55 112.55 2waq h SER 816 Ca -0.28 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 2waq h SER 816 Cb 1.11 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2waq h SER 816 CO -0.17 0.66 -0.19 1.23 -0.53 0.00 0.00 176.83 177.83 2waq h GLY 817 N 0.75 0.40 2.00 5.77 0.00 -1.56 0.36 103.07 110.79 2waq h GLY 817 Ca 0.19 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2waq h GLY 817 CO -0.02 0.27 -0.36 -1.82 0.00 0.00 0.00 176.54 174.61 2waq h TYR 818 N 0.34 0.00 0.00 5.60 3.20 -1.58 -2.71 116.97 121.82 2waq h TYR 818 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2waq h TYR 818 Cb 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2waq h TYR 818 CO 0.01 0.36 -0.89 -0.12 -1.64 0.00 0.00 178.16 175.88 2waq n MET 819 N -4.01 0.06 0.14 1.82 1.56 -0.71 -3.57 117.12 112.41 2waq n MET 819 Ca -0.02 -0.01 -0.00 0.00 -0.27 0.00 0.00 57.70 57.40 2waq n MET 819 Cb 0.41 -1.51 0.17 0.00 2.15 0.00 0.00 33.22 34.43 2waq n MET 819 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 2waq h GLN 820 N 0.00 0.00 0.07 2.12 5.75 -0.01 -3.29 115.11 119.75 2waq h GLN 820 Ca 0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 2waq h GLN 820 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2waq h GLN 820 CO 0.00 0.61 -1.12 -0.09 -2.65 0.00 0.00 178.83 175.58 2waq h ARG 821 N 0.00 0.17 -0.06 1.69 2.43 -1.55 -3.14 114.38 113.92 2waq h ARG 821 Ca -0.01 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 2waq h ARG 821 Cb 1.14 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2waq h ARG 821 CO 0.08 1.12 -0.63 0.00 -1.51 0.00 0.00 179.97 179.03 2waq h ARG 822 N 0.05 0.22 0.00 0.20 3.08 -1.63 -2.98 114.38 113.32 2waq h ARG 822 Ca -0.08 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2waq h ARG 822 Cb 1.85 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.93 2waq h ARG 822 CO 0.17 0.78 -1.04 1.47 -1.07 0.00 0.00 179.97 180.28 2waq n LEU 823 N -3.85 0.62 0.17 3.04 -0.00 -1.25 -3.00 117.00 112.73 2waq n LEU 823 Ca -0.02 -0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.06 2waq n LEU 823 Cb 0.63 -0.09 0.34 0.00 -0.00 0.00 0.00 43.42 44.30 2waq n LEU 823 CO 0.45 0.06 0.86 -0.29 -0.00 0.00 0.00 177.39 178.47 2waq h ILE 824 N 0.00 0.00 0.00 1.47 2.10 -1.50 -0.77 117.51 118.81 2waq h ILE 824 Ca 0.00 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.25 2waq h ILE 824 Cb 0.71 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 2waq h ILE 824 CO 0.00 0.00 -1.60 0.59 -1.08 0.00 0.00 178.15 176.06 2waq n ASN 825 N -2.70 0.33 0.03 2.19 3.02 -1.13 -3.64 115.26 113.36 2waq n ASN 825 Ca 0.04 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 2waq n ASN 825 Cb 0.45 1.42 -0.13 0.00 -0.61 0.00 0.00 39.78 40.91 2waq n ASN 825 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2waq h ALA 826 N 2.09 0.49 -0.24 5.41 0.00 -1.41 -3.36 119.26 122.24 2waq h ALA 826 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2waq h ALA 826 Cb 0.96 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2waq h ALA 826 CO 0.00 1.36 0.00 1.28 0.00 0.00 0.00 179.25 181.89 2waq n LEU 827 N -3.25 2.92 -0.16 0.00 4.32 -0.31 -4.80 117.00 115.71 2waq n LEU 827 Ca -0.07 -2.29 -0.08 0.00 -0.02 0.00 0.00 56.01 53.54 2waq n LEU 827 Cb 0.99 -0.27 0.01 0.00 -1.62 0.00 0.00 43.42 42.53 2waq n LEU 827 CO 0.47 0.67 1.03 0.77 -1.22 0.00 0.00 177.39 179.11 2waq h SER 828 N 1.45 0.57 1.26 -1.43 4.64 -1.71 -3.11 113.55 115.22 2waq h SER 828 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2waq h SER 828 Cb 0.86 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2waq h SER 828 CO 0.05 0.47 -0.18 0.47 -0.87 0.00 0.00 176.83 176.77 2waq n ASP 829 N -4.70 0.72 -4.63 4.97 8.00 -1.26 -4.84 116.55 114.81 2waq n ASP 829 Ca 0.02 0.43 -0.43 0.00 0.71 0.00 0.00 54.79 55.52 2waq n ASP 829 Cb 0.06 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 2waq n ASP 829 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2waq s LEU 830 N -4.31 3.95 0.24 0.64 1.43 -1.18 -2.19 118.68 117.25 2waq s LEU 830 Ca 0.10 1.86 0.08 0.00 -1.03 0.00 0.00 54.13 55.13 2waq s LEU 830 Cb 0.13 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2waq s LEU 830 CO 0.63 -1.30 -0.13 0.00 0.23 0.00 0.00 176.35 175.78 2waq s ARG 831 N 4.82 1.44 0.31 1.70 1.70 -0.64 -4.97 118.95 123.31 2waq s ARG 831 Ca 0.78 -1.67 -0.18 0.00 -0.47 0.00 0.00 55.73 54.19 2waq s ARG 831 Cb -0.29 -1.23 -0.09 0.00 -0.57 0.00 0.00 34.95 32.77 2waq s ARG 831 CO 0.32 0.17 0.77 0.00 -1.08 0.00 0.00 175.30 175.48 2waq s ALA 832 N -2.91 3.31 0.38 7.88 0.00 -1.26 -2.03 121.76 127.13 2waq s ALA 832 Ca 0.25 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.44 2waq s ALA 832 Cb -0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 2waq s ALA 832 CO 0.09 0.30 0.08 -1.21 0.00 0.00 0.00 175.76 175.02 2waq s GLU 833 N -2.66 2.11 0.58 0.00 0.41 -0.40 -4.93 118.70 113.80 2waq s GLU 833 Ca 0.52 -1.87 0.31 0.00 -0.41 0.00 0.00 54.97 53.52 2waq s GLU 833 Cb -0.12 -1.88 1.76 0.00 -1.78 0.00 0.00 34.13 32.10 2waq s GLU 833 CO 0.18 -0.01 2.20 1.88 -0.49 0.00 0.00 175.26 179.03 2waq h TYR 834 N 1.65 0.00 -0.64 1.61 0.05 -1.98 -2.75 116.97 114.91 2waq h TYR 834 Ca -0.43 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.13 2waq h TYR 834 Cb 1.25 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.86 2waq h TYR 834 CO 0.68 0.04 0.23 -0.40 -1.05 0.00 0.00 178.16 177.66 2waq n ASP 835 N -3.66 4.17 -0.18 3.88 5.75 -1.26 -4.91 116.55 120.34 2waq n ASP 835 Ca -0.02 -3.34 -0.02 0.00 -0.01 0.00 0.00 54.79 51.39 2waq n ASP 835 Cb 0.14 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.51 2waq n ASP 835 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2waq n GLY 836 N -0.50 0.57 3.93 6.12 0.00 -1.03 -4.86 105.19 109.41 2waq n GLY 836 Ca 0.39 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 2waq n GLY 836 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2waq s THR 837 N -2.08 5.11 -0.40 2.61 2.01 -1.25 -2.26 115.64 119.38 2waq s THR 837 Ca 0.00 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 2waq s THR 837 Cb 0.00 -3.80 0.11 0.00 0.01 0.00 0.00 72.50 68.82 2waq s THR 837 CO 0.00 -0.40 0.17 -0.69 -0.69 0.00 0.00 174.62 173.02 2waq s VAL 838 N -2.14 3.02 -0.00 3.82 1.01 -0.61 -1.28 120.40 124.23 2waq s VAL 838 Ca 0.40 -2.20 0.06 0.00 0.00 0.00 0.00 61.98 60.24 2waq s VAL 838 Cb -0.10 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2waq s VAL 838 CO 0.33 -0.68 -0.18 -0.13 0.00 0.00 0.00 175.10 174.44 2waq s ARG 839 N 1.00 2.24 0.96 2.72 0.52 -0.86 -0.54 118.95 124.99 2waq s ARG 839 Ca 0.10 -0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 54.31 2waq s ARG 839 Cb -0.22 -2.23 0.17 0.00 0.52 0.00 0.00 34.95 33.19 2waq s ARG 839 CO -0.05 0.58 1.14 -1.54 0.02 0.00 0.00 175.30 175.45 2waq s SER 840 N -1.02 3.07 0.00 0.23 1.04 -0.82 -1.62 113.70 114.57 2waq s SER 840 Ca 0.13 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2waq s SER 840 Cb -0.10 -1.40 0.01 0.00 0.10 0.00 0.00 66.02 64.63 2waq s SER 840 CO 0.02 -2.82 0.61 0.18 0.98 0.00 0.00 173.24 172.21 2waq n LEU 841 N -3.93 0.00 -0.03 2.42 4.77 -0.93 -1.78 117.00 117.52 2waq n LEU 841 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 2waq n LEU 841 Cb 0.59 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 2waq n LEU 841 CO 0.55 0.00 -0.73 -1.22 -1.33 0.00 0.00 177.39 174.66 2waq n TYR 842 N -0.51 0.00 0.00 -1.77 4.01 -1.26 -5.02 117.16 112.61 2waq n TYR 842 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2waq n TYR 842 Cb 0.00 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 2waq n TYR 842 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2waq n GLY 843 N 2.10 1.30 3.68 2.72 0.00 -0.74 -5.10 105.19 109.16 2waq n GLY 843 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2waq n GLY 843 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2waq s GLU 844 N -0.31 4.36 -0.38 1.61 2.02 -1.26 -4.84 118.70 119.90 2waq s GLU 844 Ca 0.00 1.51 -0.27 0.00 0.02 0.00 0.00 54.97 56.24 2waq s GLU 844 Cb 0.00 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.67 2waq s GLU 844 CO 0.00 -0.43 0.97 0.08 0.02 0.00 0.00 175.26 175.90 2waq s VAL 845 N 2.33 4.53 -0.20 2.63 1.01 -1.26 -1.95 120.40 127.49 2waq s VAL 845 Ca 0.51 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 2waq s VAL 845 Cb -0.21 -4.38 -0.20 0.00 0.00 0.00 0.00 36.38 31.60 2waq s VAL 845 CO 0.18 -0.60 0.09 -0.38 0.00 0.00 0.00 175.10 174.39 2waq n ILE 846 N 6.08 1.61 -3.84 2.22 -0.00 0.30 -4.90 119.36 120.82 2waq n ILE 846 Ca 0.08 -0.38 -0.27 0.00 -0.00 0.00 0.00 62.75 62.17 2waq n ILE 846 Cb 0.48 -1.81 -0.17 0.00 -0.00 0.00 0.00 39.64 38.14 2waq n ILE 846 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2waq s GLN 847 N -2.48 1.15 -0.93 0.38 -0.21 -1.09 -4.99 119.66 111.50 2waq s GLN 847 Ca -0.30 -0.41 -0.24 0.00 0.02 0.00 0.00 55.36 54.43 2waq s GLN 847 Cb 0.08 -1.88 0.04 0.00 1.00 0.00 0.00 33.01 32.25 2waq s GLN 847 CO 0.63 -0.46 1.39 0.08 -2.12 0.00 0.00 175.29 174.82 2waq s VAL 848 N 1.73 3.85 0.00 1.09 1.01 -1.26 -1.57 120.40 125.25 2waq s VAL 848 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2waq s VAL 848 Cb -0.15 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.22 2waq s VAL 848 CO -0.07 -1.91 0.00 0.00 0.00 0.00 0.00 175.10 173.11 2waq n ALA 849 N 9.05 -0.70 -2.18 5.51 0.00 -1.16 -4.94 120.51 126.09 2waq n ALA 849 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 2waq n ALA 849 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 2waq n ALA 849 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2waq s TYR 850 N 0.00 2.80 -1.47 0.00 5.04 -0.96 -3.71 117.35 119.06 2waq s TYR 850 Ca 0.00 0.75 -0.13 0.00 -2.44 0.00 0.00 57.07 55.26 2waq s TYR 850 Cb 0.00 -3.71 0.09 0.00 0.35 0.00 0.00 41.96 38.70 2waq s TYR 850 CO 0.00 -2.64 0.72 0.41 -1.34 0.00 0.00 175.55 172.70 2waq n GLY 851 N 3.69 -0.48 5.00 8.97 0.00 -1.26 -1.12 105.19 119.99 2waq n GLY 851 Ca 0.13 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2waq n GLY 851 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2waq n ASP 852 N -2.55 0.00 0.23 1.61 8.00 -1.24 -4.33 116.55 118.27 2waq n ASP 852 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 2waq n ASP 852 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 2waq n ASP 852 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2waq h ASP 853 N 0.00 -0.51 0.00 -2.24 3.45 -1.90 -3.49 116.42 111.74 2waq h ASP 853 Ca 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.37 2waq h ASP 853 Cb 0.00 0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 2waq h ASP 853 CO 0.00 -0.16 0.00 0.61 -1.57 0.00 0.00 179.24 178.12 2waq n GLY 854 N -0.54 3.43 3.77 2.75 0.00 -0.27 -4.95 105.19 109.37 2waq n GLY 854 Ca -0.10 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2waq n GLY 854 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2waq s VAL 855 N 0.00 2.40 -0.19 1.61 1.01 -1.26 -4.81 120.40 119.16 2waq s VAL 855 Ca 0.00 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 2waq s VAL 855 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2waq s VAL 855 CO 0.00 0.10 0.79 0.12 0.00 0.00 0.00 175.10 176.11 2waq s PHE 856 N -1.12 3.39 0.55 5.22 5.99 -1.26 -4.94 117.98 125.81 2waq s PHE 856 Ca 0.51 1.17 0.38 0.00 0.00 0.00 0.00 56.93 58.99 2waq s PHE 856 Cb -0.43 -2.98 1.54 0.00 0.00 0.00 0.00 43.02 41.15 2waq s PHE 856 CO 0.58 -0.26 1.75 -1.00 -0.00 0.00 0.00 175.22 176.29 2waq h PRO 857 N 7.43 0.00 -0.19 10.12 0.13 -1.93 0.88 132.00 148.44 2waq h PRO 857 Ca -0.28 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 2waq h PRO 857 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2waq h PRO 857 CO 0.83 0.00 -0.41 1.98 -0.23 0.00 0.00 178.00 180.17 2waq h MET 858 N 0.00 0.43 -0.01 0.86 4.05 -1.72 -2.84 114.93 115.71 2waq h MET 858 Ca 0.59 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.79 2waq h MET 858 Cb 2.46 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.26 2waq h MET 858 CO -0.01 0.77 -0.08 0.66 0.23 0.00 0.00 176.91 178.49 2waq n TYR 859 N -4.02 0.00 -2.52 1.39 0.53 0.29 -4.76 117.16 108.06 2waq n TYR 859 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.86 2waq n TYR 859 Cb 0.50 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 2waq n TYR 859 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 2waq n SER 860 N -0.26 0.11 -0.04 7.72 3.41 -1.10 -5.01 113.62 118.46 2waq n SER 860 Ca 0.17 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 58.22 2waq n SER 860 Cb 0.33 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2waq n SER 860 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2waq n ALA 861 N -3.00 2.13 0.19 7.33 0.00 -1.26 -4.54 120.51 121.36 2waq n ALA 861 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2waq n ALA 861 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2waq n ALA 861 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2waq n HIS 862 N -3.73 -3.51 -4.25 0.00 8.25 -1.26 -2.18 115.22 108.54 2waq n HIS 862 Ca -0.16 0.97 -0.23 0.00 -0.26 0.00 0.00 57.72 58.04 2waq n HIS 862 Cb 0.47 2.10 -0.07 0.00 1.12 0.00 0.00 29.99 33.61 2waq n HIS 862 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2waq s GLY 863 N -3.68 1.69 -0.35 -1.41 0.00 -1.26 -4.89 107.32 97.42 2waq s GLY 863 Ca 0.00 -1.67 -0.27 0.00 0.00 0.00 0.00 44.72 42.78 2waq s GLY 863 CO 0.00 -1.70 2.32 0.58 0.00 0.00 0.00 173.10 174.30 2waq n LYS 864 N -0.97 1.52 -1.77 2.90 2.85 -1.26 -4.27 118.16 117.16 2waq n LYS 864 Ca -0.06 0.28 -0.01 0.00 -1.05 0.00 0.00 58.31 57.46 2waq n LYS 864 Cb 0.59 -3.34 -0.01 0.00 -0.65 0.00 0.00 35.03 31.62 2waq n LYS 864 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2waq n THR 865 N 7.88 -6.59 -2.27 0.58 -1.04 -1.26 -4.87 114.28 106.72 2waq n THR 865 Ca 0.33 1.10 -0.37 0.00 -2.04 0.00 0.00 64.05 63.08 2waq n THR 865 Cb 0.49 -4.48 -0.04 0.00 -1.82 0.00 0.00 70.33 64.49 2waq n THR 865 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2waq s VAL 866 N -0.24 3.58 0.53 12.58 1.01 -1.26 -4.86 120.40 131.74 2waq s VAL 866 Ca -0.07 -0.08 0.28 0.00 0.00 0.00 0.00 61.98 62.11 2waq s VAL 866 Cb 0.00 -4.42 0.44 0.00 0.00 0.00 0.00 36.38 32.41 2waq s VAL 866 CO 0.19 -1.36 1.94 0.44 0.00 0.00 0.00 175.10 176.31 2waq h ASP 867 N 11.80 0.01 -0.39 3.32 3.32 -1.95 0.81 116.42 133.34 2waq h ASP 867 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2waq h ASP 867 Cb 1.06 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2waq h ASP 867 CO 1.27 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 179.32 2waq n VAL 868 N -4.32 0.51 -0.09 -1.35 0.31 -1.26 -4.38 118.33 107.75 2waq n VAL 868 Ca 0.15 -0.53 -0.14 0.00 -0.01 0.00 0.00 64.34 63.80 2waq n VAL 868 Cb 0.80 0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 33.94 2waq n VAL 868 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2waq n ASN 869 N 0.67 2.30 0.22 4.52 5.15 0.28 -4.14 115.26 124.26 2waq n ASN 869 Ca 0.14 -0.02 0.06 0.00 -0.60 0.00 0.00 54.58 54.17 2waq n ASN 869 Cb 0.35 -0.35 0.49 0.00 -0.53 0.00 0.00 39.78 39.74 2waq n ASN 869 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2waq h ARG 870 N -0.17 0.00 -0.27 1.20 3.08 -1.76 0.18 114.38 116.64 2waq h ARG 870 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 2waq h ARG 870 Cb 1.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.61 2waq h ARG 870 CO -0.12 0.26 -0.10 0.97 -1.07 0.00 0.00 179.97 179.92 2waq h ILE 871 N 0.00 1.21 0.00 2.04 2.10 -1.81 -1.75 117.51 119.30 2waq h ILE 871 Ca -0.00 -0.90 0.00 0.00 1.08 0.00 0.00 64.86 65.03 2waq h ILE 871 Cb 0.54 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 2waq h ILE 871 CO 0.03 0.30 0.00 0.49 -1.08 0.00 0.00 178.15 177.89 2waq n PHE 872 N -4.24 0.45 -0.07 2.19 3.01 0.36 -0.83 117.46 118.34 2waq n PHE 872 Ca 0.00 0.14 -0.13 0.00 1.01 0.00 0.00 57.45 58.47 2waq n PHE 872 Cb 0.29 -0.72 -0.12 0.00 -0.01 0.00 0.00 39.48 38.92 2waq n PHE 872 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2waq h GLU 873 N 0.00 0.00 0.00 -1.08 5.08 0.05 -3.41 114.58 115.22 2waq h GLU 873 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2waq h GLU 873 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2waq h GLU 873 CO 0.00 0.90 -2.04 0.54 -1.00 0.00 0.00 179.01 177.41 2waq n ARG 874 N -4.61 0.66 0.00 2.33 5.12 -0.81 -4.76 116.66 114.59 2waq n ARG 874 Ca -0.11 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 2waq n ARG 874 Cb 0.45 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2waq n ARG 874 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2waq n VAL 875 N -2.39 0.00 0.00 1.55 0.31 -0.01 -4.80 118.33 113.00 2waq n VAL 875 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2waq n VAL 875 Cb 0.70 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 2waq n VAL 875 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2waq n VAL 876 N 0.00 0.00 0.33 2.52 3.14 -1.25 -4.45 118.33 118.63 2waq n VAL 876 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2waq n VAL 876 Cb 0.00 0.00 0.20 0.00 -1.06 0.00 0.00 33.84 32.98 2waq n VAL 876 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2waq n GLY 877 N -0.34 -0.79 0.00 7.55 0.00 -1.26 -2.16 105.19 108.19 2waq n GLY 877 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2waq n GLY 877 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2waq n TRP 878 N -1.47 0.00 -0.24 1.61 8.01 -1.26 -4.81 117.44 119.27 2waq n TRP 878 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 2waq n TRP 878 Cb 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.40 2waq n TRP 878 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31