#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zuf n MET 3 N 0.00 4.10 -0.13 3.23 0.00 -1.26 -4.68 117.12 118.38 2zuf n MET 3 Ca 0.00 -3.91 0.01 0.00 -0.00 0.00 0.00 57.70 53.80 2zuf n MET 3 Cb 0.00 -2.38 0.06 0.00 0.00 0.00 0.00 33.22 30.90 2zuf n MET 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2zuf n GLU 4 N 0.04 1.56 0.21 2.12 -0.58 -1.26 -3.90 120.64 118.84 2zuf n GLU 4 Ca 0.51 -0.47 0.14 0.00 -0.42 0.00 0.00 57.16 56.92 2zuf n GLU 4 Cb 0.27 -1.56 0.76 0.00 -0.57 0.00 0.00 31.44 30.34 2zuf n GLU 4 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2zuf h ILE 5 N 0.61 0.00 -0.49 -3.67 2.10 -1.96 0.23 117.51 114.34 2zuf h ILE 5 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 2zuf h ILE 5 Cb 0.67 0.62 -0.02 0.00 -1.09 0.00 0.00 36.82 36.99 2zuf h ILE 5 CO 0.07 0.00 0.08 0.03 -1.08 0.00 0.00 178.15 177.24 2zuf h ARG 6 N 0.00 0.76 -0.64 2.19 3.08 -1.97 -2.51 114.38 115.29 2zuf h ARG 6 Ca 0.00 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.92 2zuf h ARG 6 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2zuf h ARG 6 CO 0.00 0.72 0.43 0.93 -1.07 0.00 0.00 179.97 180.98 2zuf h GLU 7 N 0.73 0.71 -0.25 0.04 3.07 -0.87 -1.71 114.58 116.30 2zuf h GLU 7 Ca 0.16 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 2zuf h GLU 7 Cb 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2zuf h GLU 7 CO 0.01 0.47 -0.09 1.03 -1.40 0.00 0.00 179.01 179.02 2zuf h SER 8 N 0.73 0.51 0.22 1.42 0.87 -1.56 -1.75 113.55 114.00 2zuf h SER 8 Ca 0.26 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 2zuf h SER 8 Cb 0.13 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2zuf h SER 8 CO -0.08 0.79 -0.22 0.58 -0.53 0.00 0.00 176.83 177.37 2zuf h VAL 9 N 0.23 1.14 0.31 2.23 2.07 -1.32 -1.27 116.25 119.64 2zuf h VAL 9 Ca 0.06 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2zuf h VAL 9 Cb 0.58 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2zuf h VAL 9 CO 0.03 0.21 -0.15 0.11 0.02 0.00 0.00 177.57 177.80 2zuf h LYS 10 N 0.00 -0.40 -0.49 1.57 1.57 -1.17 -2.40 116.57 115.25 2zuf h LYS 10 Ca -0.00 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 2zuf h LYS 10 Cb 0.39 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 2zuf h LYS 10 CO 0.03 -0.10 -0.07 0.93 -0.57 0.00 0.00 179.45 179.66 2zuf h GLU 11 N -1.00 0.04 0.01 3.15 5.08 -1.21 0.39 114.58 121.05 2zuf h GLU 11 Ca -0.04 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2zuf h GLU 11 Cb 0.48 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2zuf h GLU 11 CO 0.07 0.03 -0.30 0.00 -1.00 0.00 0.00 179.01 177.81 2zuf h ARG 12 N 0.04 -0.44 -0.13 2.33 2.47 -1.30 -2.24 114.38 115.11 2zuf h ARG 12 Ca 0.24 0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.95 2zuf h ARG 12 Cb 0.37 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2zuf h ARG 12 CO -0.46 -0.29 -0.11 0.82 0.56 0.00 0.00 179.97 180.48 2zuf h ILE 13 N -0.46 1.15 0.00 2.04 2.04 -0.86 -1.37 117.51 120.05 2zuf h ILE 13 Ca 0.06 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2zuf h ILE 13 Cb 0.54 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2zuf h ILE 13 CO -0.25 0.21 -0.05 -0.33 0.00 0.00 0.00 178.15 177.73 2zuf h GLU 14 N 0.19 0.00 0.04 2.37 5.08 -0.48 -2.15 114.58 119.62 2zuf h GLU 14 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2zuf h GLU 14 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2zuf h GLU 14 CO 0.02 0.05 -0.02 0.93 -1.00 0.00 0.00 179.01 178.99 2zuf h GLU 15 N 0.00 -0.05 -0.67 2.33 5.08 -0.69 -2.89 114.58 117.69 2zuf h GLU 15 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2zuf h GLU 15 Cb 0.55 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2zuf h GLU 15 CO 0.01 0.61 0.45 0.82 -1.00 0.00 0.00 179.01 179.91 2zuf h ILE 16 N -0.91 0.82 -0.33 3.13 1.08 -1.32 0.77 117.51 120.76 2zuf h ILE 16 Ca -0.00 -0.12 -0.15 0.00 -0.39 0.00 0.00 64.86 64.19 2zuf h ILE 16 Cb 0.68 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2zuf h ILE 16 CO 0.01 0.07 -0.39 0.40 -0.69 0.00 0.00 178.15 177.54 2zuf h ILE 17 N 0.36 1.28 -0.62 -0.67 2.04 -1.44 -1.83 117.51 116.64 2zuf h ILE 17 Ca 0.32 -1.56 0.10 0.00 1.00 0.00 0.00 64.86 64.72 2zuf h ILE 17 Cb 0.76 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 2zuf h ILE 17 CO -0.09 0.51 0.20 0.50 0.00 0.00 0.00 178.15 179.27 2zuf h LYS 18 N 0.65 0.35 0.00 2.37 1.63 -0.63 0.99 116.57 121.93 2zuf h LYS 18 Ca 0.05 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 2zuf h LYS 18 Cb 0.95 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 2zuf h LYS 18 CO 0.09 0.23 -0.56 0.93 -3.45 0.00 0.00 179.45 176.69 2zuf h GLU 19 N 0.36 0.00 -0.33 1.90 5.08 -1.23 0.85 114.58 121.20 2zuf h GLU 19 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2zuf h GLU 19 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2zuf h GLU 19 CO -0.35 0.56 0.00 -0.89 -1.00 0.00 0.00 179.01 177.33 2zuf n ILE 20 N -3.66 0.59 0.00 3.13 5.41 -0.70 -4.75 119.36 119.38 2zuf n ILE 20 Ca -0.01 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2zuf n ILE 20 Cb 0.61 0.86 0.00 0.00 -0.71 0.00 0.00 39.64 40.39 2zuf n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2zuf n ALA 21 N 1.07 0.00 0.15 -1.39 0.00 0.33 -5.02 120.51 115.65 2zuf n ALA 21 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.65 2zuf n ALA 21 Cb 0.49 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.25 2zuf n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2zuf n PRO 22 N 0.00 0.07 -0.18 0.00 -0.04 0.29 -1.47 135.00 133.66 2zuf n PRO 22 Ca 0.00 0.52 0.06 0.00 -0.04 0.00 0.00 63.50 64.03 2zuf n PRO 22 Cb 0.00 -1.71 0.15 0.00 -0.04 0.00 0.00 33.50 31.90 2zuf n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2zuf n GLN 23 N -1.86 1.83 -3.49 0.54 1.13 -1.26 -4.86 117.38 109.41 2zuf n GLN 23 Ca 0.00 -1.26 -0.37 0.00 -1.94 0.00 0.00 57.00 53.43 2zuf n GLN 23 Cb 0.05 -1.28 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 2zuf n GLN 23 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2zuf s TRP 24 N -1.54 3.57 -0.22 1.08 -0.11 -0.55 -5.06 118.94 116.11 2zuf s TRP 24 Ca 0.23 0.79 -0.04 0.00 1.22 0.00 0.00 56.10 58.30 2zuf s TRP 24 Cb 0.12 -2.35 0.08 0.00 -1.50 0.00 0.00 33.47 29.82 2zuf s TRP 24 CO 0.16 0.38 0.10 -2.00 -4.62 0.00 0.00 176.95 170.96 2zuf s GLU 25 N -0.06 0.20 0.00 5.86 2.56 -1.26 -4.94 118.70 121.06 2zuf s GLU 25 Ca 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 54.97 54.85 2zuf s GLU 25 Cb -0.15 -1.64 0.00 0.00 2.00 0.00 0.00 34.13 34.35 2zuf s GLU 25 CO 0.08 -0.80 0.02 0.41 -0.56 0.00 0.00 175.26 174.41 2zuf n GLY 26 N 5.22 1.14 3.43 -1.50 0.00 -1.26 -5.16 105.19 107.06 2zuf n GLY 26 Ca -0.07 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 2zuf n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zuf s GLU 27 N -2.00 2.43 -0.27 1.61 0.41 -1.26 -5.10 118.70 114.52 2zuf s GLU 27 Ca 0.00 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 53.60 2zuf s GLU 27 Cb -0.00 -2.30 -0.01 0.00 -1.78 0.00 0.00 34.13 30.04 2zuf s GLU 27 CO 0.00 0.60 0.68 0.42 -0.49 0.00 0.00 175.26 176.47 2zuf s ILE 28 N -0.67 4.93 -0.27 -1.63 -1.09 -1.26 -5.03 121.20 116.17 2zuf s ILE 28 Ca 0.10 1.18 -0.15 0.00 -2.23 0.00 0.00 60.65 59.55 2zuf s ILE 28 Cb -0.11 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 2zuf s ILE 28 CO 0.00 -0.05 0.39 -1.61 -1.23 0.00 0.00 174.94 172.45 2zuf s GLU 29 N 2.63 4.01 -0.24 2.79 2.02 -1.26 -4.98 118.70 123.67 2zuf s GLU 29 Ca 0.28 0.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.27 2zuf s GLU 29 Cb -0.15 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2zuf s GLU 29 CO 0.09 -0.30 0.05 -0.51 0.02 0.00 0.00 175.26 174.61 2zuf s LEU 30 N 2.10 3.38 0.19 1.80 1.43 -1.26 -4.30 118.68 122.02 2zuf s LEU 30 Ca 0.16 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 2zuf s LEU 30 Cb -0.16 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2zuf s LEU 30 CO 0.10 -0.01 -0.21 -0.54 0.23 0.00 0.00 176.35 175.92 2zuf s LYS 31 N 1.46 1.42 0.65 1.70 1.02 0.32 -4.88 119.74 121.42 2zuf s LYS 31 Ca 0.05 -1.50 -0.18 0.00 0.02 0.00 0.00 55.97 54.37 2zuf s LYS 31 Cb -0.15 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 2zuf s LYS 31 CO 0.03 0.33 1.28 -1.21 -0.92 0.00 0.00 175.35 174.85 2zuf s GLU 32 N -2.84 2.53 0.32 1.68 8.01 -1.26 -0.56 118.70 126.58 2zuf s GLU 32 Ca 0.19 2.01 -0.09 0.00 0.01 0.00 0.00 54.97 57.09 2zuf s GLU 32 Cb -0.06 -1.85 -0.06 0.00 -4.31 0.00 0.00 34.13 27.84 2zuf s GLU 32 CO 0.09 -1.60 0.64 0.95 0.01 0.00 0.00 175.26 175.35 2zuf s THR 33 N -1.48 4.89 0.48 3.63 -4.23 -1.16 -4.74 115.64 113.02 2zuf s THR 33 Ca 0.81 0.42 0.18 0.00 -1.18 0.00 0.00 61.69 61.92 2zuf s THR 33 Cb -0.36 -3.69 0.34 0.00 1.34 0.00 0.00 72.50 70.12 2zuf s THR 33 CO 0.40 -0.31 2.02 -0.65 -0.54 0.00 0.00 174.62 175.53 2zuf h PRO 34 N 1.80 0.19 -2.94 3.99 0.11 -1.94 -3.43 132.00 129.78 2zuf h PRO 34 Ca -0.47 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 2zuf h PRO 34 Cb 1.18 -0.04 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 2zuf h PRO 34 CO 0.66 0.13 -0.30 0.34 -0.21 0.00 0.00 178.00 178.62 2zuf s ASP 35 N -6.42 -0.31 0.49 -2.05 -1.08 -1.26 -5.04 116.67 101.00 2zuf s ASP 35 Ca -0.06 0.52 0.31 0.00 -0.52 0.00 0.00 52.55 52.80 2zuf s ASP 35 Cb 0.19 0.59 1.41 0.00 -1.46 0.00 0.00 42.92 43.65 2zuf s ASP 35 CO 0.73 -0.21 1.77 -0.65 0.52 0.00 0.00 175.17 177.33 2zuf h PRO 36 N 5.11 0.13 0.00 4.34 0.11 -1.84 0.18 132.00 140.03 2zuf h PRO 36 Ca -0.27 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 2zuf h PRO 36 Cb 1.18 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2zuf h PRO 36 CO 0.32 0.08 -0.05 0.87 -0.21 0.00 0.00 178.00 179.02 2zuf h LYS 37 N 0.13 0.00 0.00 1.05 1.79 -1.98 -1.42 116.57 116.15 2zuf h LYS 37 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 2zuf h LYS 37 Cb 2.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 2zuf h LYS 37 CO -0.13 0.05 -0.34 1.28 -1.08 0.00 0.00 179.45 179.23 2zuf n LEU 38 N -4.09 0.44 0.00 2.94 4.77 0.63 -5.04 117.00 116.65 2zuf n LEU 38 Ca -0.03 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2zuf n LEU 38 Cb 0.13 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2zuf n LEU 38 CO 0.31 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2zuf n GLY 39 N 1.44 1.29 0.12 -0.72 0.00 -0.53 -4.60 105.19 102.18 2zuf n GLY 39 Ca 0.05 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 2zuf n GLY 39 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2zuf h ASP 40 N 0.00 0.45 -5.09 1.61 3.32 -1.61 -3.41 116.42 111.70 2zuf h ASP 40 Ca 0.00 -0.90 -0.04 0.00 0.02 0.00 0.00 57.03 56.11 2zuf h ASP 40 Cb 0.00 -0.14 -0.12 0.00 0.22 0.00 0.00 39.33 39.29 2zuf h ASP 40 CO 0.00 1.31 -0.02 0.72 -1.72 0.00 0.00 179.24 179.52 2zuf s PHE 41 N -2.65 -0.15 0.38 4.55 -0.12 -1.23 -3.00 117.98 115.76 2zuf s PHE 41 Ca -0.14 -0.18 -0.11 0.00 -0.05 0.00 0.00 56.93 56.45 2zuf s PHE 41 Cb 0.01 0.32 0.05 0.00 -0.63 0.00 0.00 43.02 42.77 2zuf s PHE 41 CO 0.82 -0.81 0.71 0.41 -0.05 0.00 0.00 175.22 176.29 2zuf n GLY 42 N -0.29 1.29 3.17 1.99 0.00 0.27 -1.13 105.19 110.49 2zuf n GLY 42 Ca -0.13 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 2zuf n GLY 42 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2zuf s THR 43 N -2.30 1.21 -1.30 2.61 -1.32 -0.36 -0.52 115.64 113.65 2zuf s THR 43 Ca 0.19 -1.08 0.15 0.00 -1.21 0.00 0.00 61.69 59.75 2zuf s THR 43 Cb -0.04 -1.10 0.59 0.00 -1.51 0.00 0.00 72.50 70.45 2zuf s THR 43 CO 0.14 0.01 1.48 -0.81 -2.21 0.00 0.00 174.62 173.22 2zuf n PRO 44 N 1.80 3.17 -0.32 7.08 -0.04 -1.26 -2.06 135.00 143.37 2zuf n PRO 44 Ca -0.18 -2.34 0.14 0.00 -0.04 0.00 0.00 63.50 61.07 2zuf n PRO 44 Cb 0.54 -1.75 0.33 0.00 -0.04 0.00 0.00 33.50 32.58 2zuf n PRO 44 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2zuf h ILE 45 N 3.41 0.53 -0.88 0.52 -0.00 -1.87 -1.36 117.51 117.86 2zuf h ILE 45 Ca 0.00 -0.17 0.17 0.00 -0.00 0.00 0.00 64.86 64.86 2zuf h ILE 45 Cb 1.20 -0.01 -0.07 0.00 -0.00 0.00 0.00 36.82 37.94 2zuf h ILE 45 CO 0.17 0.09 0.57 0.00 -0.00 0.00 0.00 178.15 178.99 2zuf h ALA 46 N 1.70 2.01 -0.19 0.18 0.00 -1.81 0.60 119.26 121.75 2zuf h ALA 46 Ca 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.45 2zuf h ALA 46 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2zuf h ALA 46 CO -0.49 -0.27 -0.14 0.74 0.00 0.00 0.00 179.25 179.09 2zuf h PHE 47 N 0.54 0.33 0.00 0.00 -1.00 -1.48 0.23 116.94 115.56 2zuf h PHE 47 Ca 0.45 -0.04 -0.17 0.00 2.81 0.00 0.00 57.97 61.02 2zuf h PHE 47 Cb 0.92 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 2zuf h PHE 47 CO -0.00 0.45 -0.80 0.87 -1.61 0.00 0.00 178.31 177.22 2zuf h LYS 48 N 0.29 0.00 0.00 1.51 1.57 -0.99 -3.24 116.57 115.71 2zuf h LYS 48 Ca 0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 2zuf h LYS 48 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2zuf h LYS 48 CO 0.03 0.80 -1.13 -0.07 -0.57 0.00 0.00 179.45 178.50 2zuf h LEU 49 N 0.00 0.00 -0.87 2.94 3.38 -0.97 -3.35 115.31 116.44 2zuf h LEU 49 Ca -0.01 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.18 2zuf h LEU 49 Cb 1.52 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.14 2zuf h LEU 49 CO 0.10 0.82 0.31 0.00 0.09 0.00 0.00 178.44 179.77 2zuf h ALA 50 N 1.18 1.33 0.26 1.53 0.00 -0.58 -2.21 119.26 120.77 2zuf h ALA 50 Ca -0.10 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2zuf h ALA 50 Cb 1.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2zuf h ALA 50 CO 0.09 -0.40 -0.13 0.87 0.00 0.00 0.00 179.25 179.69 2zuf h LYS 51 N 0.31 -0.34 0.57 0.00 1.79 -1.71 -1.45 116.57 115.73 2zuf h LYS 51 Ca 0.55 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 59.01 2zuf h LYS 51 Cb 1.06 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2zuf h LYS 51 CO -0.58 -0.16 -0.35 -0.07 -1.08 0.00 0.00 179.45 177.21 2zuf h LEU 52 N -0.45 -0.90 0.00 2.94 4.07 -1.61 -2.67 115.31 116.69 2zuf h LEU 52 Ca -0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2zuf h LEU 52 Cb 0.34 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2zuf h LEU 52 CO 0.06 -0.54 0.00 0.18 -1.08 0.00 0.00 178.44 177.06 2zuf n LEU 53 N -4.60 0.00 0.00 1.67 4.77 -0.96 -4.82 117.00 113.07 2zuf n LEU 53 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2zuf n LEU 53 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2zuf n LEU 53 CO 0.25 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.60 2zuf n LYS 54 N -0.91 -1.43 -3.50 3.23 5.02 -0.58 -4.93 118.16 115.07 2zuf n LYS 54 Ca 0.07 0.27 -0.31 0.00 -2.02 0.00 0.00 58.31 56.32 2zuf n LYS 54 Cb 0.03 -4.20 -0.05 0.00 -0.02 0.00 0.00 35.03 30.79 2zuf n LYS 54 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2zuf s ARG 55 N -1.31 3.71 0.34 1.97 0.52 -1.04 -4.99 118.95 118.15 2zuf s ARG 55 Ca 0.00 0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 55.02 2zuf s ARG 55 Cb 0.00 -2.72 -0.10 0.00 0.52 0.00 0.00 34.95 32.65 2zuf s ARG 55 CO 0.00 0.36 1.29 -2.14 0.02 0.00 0.00 175.30 174.83 2zuf s PRO 56 N -2.86 4.31 0.20 3.54 0.02 -1.26 -4.41 135.00 134.54 2zuf s PRO 56 Ca 0.44 2.18 -0.21 0.00 0.02 0.00 0.00 61.00 63.44 2zuf s PRO 56 Cb -0.11 -3.02 0.14 0.00 0.02 0.00 0.00 34.50 31.52 2zuf s PRO 56 CO 0.24 -0.21 1.56 -1.35 -0.33 0.00 0.00 177.00 176.91 2zuf h PRO 57 N 3.28 -0.09 -0.56 5.54 0.11 -1.90 -1.43 132.00 136.95 2zuf h PRO 57 Ca -0.49 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.73 2zuf h PRO 57 Cb 1.23 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 2zuf h PRO 57 CO 0.65 -0.06 -0.27 0.82 -0.21 0.00 0.00 178.00 178.93 2zuf h ILE 58 N -0.09 0.25 -0.14 4.15 2.04 -1.87 0.79 117.51 122.63 2zuf h ILE 58 Ca 0.27 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.17 2zuf h ILE 58 Cb 0.56 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2zuf h ILE 58 CO -0.84 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 176.76 2zuf h GLU 59 N -0.13 -0.26 -0.62 2.37 4.39 -1.65 -1.24 114.58 117.44 2zuf h GLU 59 Ca 0.24 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.98 2zuf h GLU 59 Cb 0.52 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2zuf h GLU 59 CO -0.64 -0.17 0.40 0.82 -1.16 0.00 0.00 179.01 178.26 2zuf h ILE 60 N -0.27 1.13 -0.58 3.13 2.04 -1.07 -0.89 117.51 120.99 2zuf h ILE 60 Ca 0.10 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2zuf h ILE 60 Cb 0.43 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2zuf h ILE 60 CO -0.30 0.15 0.24 0.00 0.00 0.00 0.00 178.15 178.24 2zuf h ALA 61 N 1.24 0.75 -0.31 1.87 0.00 -0.29 -1.35 119.26 121.18 2zuf h ALA 61 Ca 0.23 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2zuf h ALA 61 Cb -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2zuf h ALA 61 CO -0.07 -0.15 -0.28 0.93 0.00 0.00 0.00 179.25 179.69 2zuf h GLU 62 N 0.45 0.62 -0.39 0.00 5.08 -0.72 -2.39 114.58 117.23 2zuf h GLU 62 Ca 0.28 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2zuf h GLU 62 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2zuf h GLU 62 CO -0.26 0.84 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.17 2zuf h LYS 63 N 0.54 0.74 -0.07 2.33 3.64 -0.32 -1.12 116.57 122.32 2zuf h LYS 63 Ca 0.07 -0.28 -0.19 0.00 -1.27 0.00 0.00 60.65 58.98 2zuf h LYS 63 Cb 0.75 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2zuf h LYS 63 CO 0.06 0.88 -0.77 0.82 -2.27 0.00 0.00 179.45 178.17 2zuf h ILE 64 N 0.65 1.38 -0.23 2.00 2.04 -1.19 -2.88 117.51 119.29 2zuf h ILE 64 Ca 0.10 -2.20 -0.08 0.00 1.00 0.00 0.00 64.86 63.68 2zuf h ILE 64 Cb 0.69 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2zuf h ILE 64 CO 0.05 0.66 -0.21 0.58 0.00 0.00 0.00 178.15 179.23 2zuf h VAL 65 N 0.27 1.25 0.51 1.67 2.07 -1.24 -1.49 116.25 119.29 2zuf h VAL 65 Ca -0.04 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 2zuf h VAL 65 Cb 1.35 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2zuf h VAL 65 CO 0.13 0.36 -0.37 -0.08 0.02 0.00 0.00 177.57 177.63 2zuf h GLU 66 N 0.37 -0.81 0.00 1.57 4.81 -1.03 -1.51 114.58 117.99 2zuf h GLU 66 Ca 0.06 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2zuf h GLU 66 Cb 0.59 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2zuf h GLU 66 CO 0.04 -0.54 0.00 0.87 -0.73 0.00 0.00 179.01 178.65 2zuf h LYS 67 N -0.84 0.00 -0.04 1.92 1.57 -1.45 -2.76 116.57 114.97 2zuf h LYS 67 Ca -0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 2zuf h LYS 67 Cb 0.69 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.02 2zuf h LYS 67 CO 0.03 0.00 -0.94 -0.07 -0.57 0.00 0.00 179.45 177.90 2zuf h LEU 68 N 0.00 0.90 -1.93 2.94 3.38 -0.71 -3.23 115.31 116.66 2zuf h LEU 68 Ca 0.00 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 2zuf h LEU 68 Cb 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2zuf h LEU 68 CO 0.00 1.48 -0.10 0.11 0.09 0.00 0.00 178.44 180.02 2zuf h LYS 69 N 0.39 0.00 0.00 1.13 1.57 -0.99 -0.69 116.57 117.99 2zuf h LYS 69 Ca -0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2zuf h LYS 69 Cb 1.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 2zuf h LYS 69 CO 0.19 0.10 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.02 2zuf h LEU 70 N 0.00 0.00 -5.36 2.94 3.38 -1.61 -3.35 115.31 111.31 2zuf h LEU 70 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2zuf h LEU 70 Cb 0.22 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.74 2zuf h LEU 70 CO 0.01 0.08 -0.71 -3.20 0.09 0.00 0.00 178.44 174.72 2zuf n ASN 71 N -3.24 -1.85 -4.70 -0.43 4.05 -0.37 -5.14 115.26 103.59 2zuf n ASN 71 Ca 0.00 -3.07 -0.44 0.00 0.45 0.00 0.00 54.58 51.52 2zuf n ASN 71 Cb 0.33 0.97 -0.02 0.00 1.23 0.00 0.00 39.78 42.29 2zuf n ASN 71 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2zuf n LEU 72 N 1.63 3.52 -4.67 1.20 4.32 -0.59 -4.88 117.00 117.53 2zuf n LEU 72 Ca 0.14 1.15 -0.37 0.00 -0.02 0.00 0.00 56.01 56.91 2zuf n LEU 72 Cb 0.59 -1.48 0.07 0.00 -1.62 0.00 0.00 43.42 40.98 2zuf n LEU 72 CO 0.09 -0.31 0.72 -2.65 -1.22 0.00 0.00 177.39 174.01 2zuf n PRO 73 N 1.84 0.85 -1.88 3.23 -0.02 -1.26 -4.87 135.00 132.90 2zuf n PRO 73 Ca 0.10 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2zuf n PRO 73 Cb 0.34 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2zuf n PRO 73 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2zuf s GLU 74 N -3.26 4.19 0.00 -0.52 2.12 -1.26 -1.74 118.70 118.22 2zuf s GLU 74 Ca 0.79 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.52 2zuf s GLU 74 Cb -0.37 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.54 2zuf s GLU 74 CO 0.45 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 2zuf n GLY 75 N 3.98 0.68 3.44 -1.50 0.00 -1.26 -4.91 105.19 105.62 2zuf n GLY 75 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2zuf n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zuf s ILE 76 N -2.39 4.03 0.03 -0.61 1.09 -0.71 -0.06 121.20 122.59 2zuf s ILE 76 Ca 0.00 -0.28 -0.17 0.00 -1.10 0.00 0.00 60.65 59.10 2zuf s ILE 76 Cb 0.00 -2.84 -0.27 0.00 -1.06 0.00 0.00 42.46 38.29 2zuf s ILE 76 CO 0.00 0.40 1.09 0.50 -0.10 0.00 0.00 174.94 176.83 2zuf h LYS 77 N 7.77 0.55 -2.54 2.79 3.64 -0.14 -3.44 116.57 125.21 2zuf h LYS 77 Ca -0.37 -0.68 0.08 0.00 -1.27 0.00 0.00 60.65 58.41 2zuf h LYS 77 Cb 1.17 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 33.08 2zuf h LYS 77 CO 0.60 1.28 0.40 0.34 -2.27 0.00 0.00 179.45 179.80 2zuf s ASP 78 N -7.16 -0.38 0.16 4.20 2.15 -1.11 -5.01 116.67 109.52 2zuf s ASP 78 Ca -0.11 -0.11 0.06 0.00 0.43 0.00 0.00 52.55 52.82 2zuf s ASP 78 Cb 0.05 0.49 -0.04 0.00 -0.30 0.00 0.00 42.92 43.11 2zuf s ASP 78 CO 0.89 -0.82 -0.12 0.68 -0.17 0.00 0.00 175.17 175.63 2zuf s VAL 79 N -3.38 1.38 -0.28 1.11 -7.23 -1.26 0.53 120.40 111.26 2zuf s VAL 79 Ca 0.06 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 2zuf s VAL 79 Cb -0.01 -1.83 0.09 0.00 0.56 0.00 0.00 36.38 35.19 2zuf s VAL 79 CO -0.07 -0.63 0.67 -0.75 -0.31 0.00 0.00 175.10 174.02 2zuf s LYS 80 N -3.47 0.67 0.15 4.82 2.20 -0.26 -4.99 119.74 118.86 2zuf s LYS 80 Ca 0.17 1.29 -0.28 0.00 -0.36 0.00 0.00 55.97 56.79 2zuf s LYS 80 Cb -0.00 0.35 -0.07 0.00 -1.51 0.00 0.00 37.83 36.60 2zuf s LYS 80 CO 0.03 -0.16 0.87 0.00 -0.36 0.00 0.00 175.35 175.73 2zuf s ALA 81 N 2.00 3.34 -0.19 3.13 0.00 -1.26 -1.72 121.76 127.06 2zuf s ALA 81 Ca -0.09 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 2zuf s ALA 81 Cb -0.07 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.00 2zuf s ALA 81 CO -0.20 0.14 0.16 0.08 0.00 0.00 0.00 175.76 175.94 2zuf s VAL 82 N -0.62 -0.21 -1.53 0.00 1.01 0.14 -4.91 120.40 114.28 2zuf s VAL 82 Ca 0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2zuf s VAL 82 Cb -0.23 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2zuf s VAL 82 CO 0.28 -0.27 0.32 0.59 0.00 0.00 0.00 175.10 176.03 2zuf n ASN 83 N 5.30 -0.32 0.00 3.32 3.02 -1.26 -0.05 115.26 125.27 2zuf n ASN 83 Ca -0.06 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2zuf n ASN 83 Cb 0.49 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 2zuf n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zuf n GLY 84 N -2.07 3.29 3.78 7.41 0.00 -1.26 -4.79 105.19 111.55 2zuf n GLY 84 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2zuf n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zuf s TYR 85 N -2.48 3.88 -0.44 1.61 1.51 0.92 -4.26 117.35 118.09 2zuf s TYR 85 Ca 0.00 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2zuf s TYR 85 Cb 0.00 -2.70 0.08 0.00 -0.11 0.00 0.00 41.96 39.23 2zuf s TYR 85 CO 0.00 0.52 0.31 0.42 -1.11 0.00 0.00 175.55 175.69 2zuf s ILE 86 N -1.09 4.50 0.18 2.71 1.09 -0.87 0.27 121.20 127.99 2zuf s ILE 86 Ca 0.34 -1.36 0.05 0.00 -1.10 0.00 0.00 60.65 58.58 2zuf s ILE 86 Cb -0.22 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 2zuf s ILE 86 CO 0.24 -0.56 0.15 0.20 -0.10 0.00 0.00 174.94 174.87 2zuf s ASN 87 N 2.35 5.53 0.02 3.58 0.01 -0.70 -1.22 114.94 124.50 2zuf s ASN 87 Ca 0.04 -0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.06 2zuf s ASN 87 Cb -0.24 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.97 2zuf s ASN 87 CO 0.03 0.05 -0.08 0.68 -1.51 0.00 0.00 177.10 176.27 2zuf s VAL 88 N -1.82 0.63 -0.22 1.60 -7.23 -0.29 -1.10 120.40 111.98 2zuf s VAL 88 Ca 0.31 -0.64 -0.05 0.00 -1.81 0.00 0.00 61.98 59.79 2zuf s VAL 88 Cb -0.10 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2zuf s VAL 88 CO 0.24 -0.03 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.62 2zuf s PHE 89 N -0.63 2.99 0.69 2.82 0.40 0.19 -1.80 117.98 122.63 2zuf s PHE 89 Ca -0.01 -0.74 -0.15 0.00 -0.60 0.00 0.00 56.93 55.42 2zuf s PHE 89 Cb -0.06 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.37 2zuf s PHE 89 CO 0.00 -0.45 1.15 0.42 0.70 0.00 0.00 175.22 177.05 2zuf s ILE 90 N 1.38 2.85 -1.05 0.64 1.01 -1.26 0.48 121.20 125.25 2zuf s ILE 90 Ca 0.05 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 2zuf s ILE 90 Cb -0.14 -2.94 0.19 0.00 0.01 0.00 0.00 42.46 39.57 2zuf s ILE 90 CO -0.01 -0.23 1.19 -0.62 0.00 0.00 0.00 174.94 175.26 2zuf s ASP 91 N -2.34 6.95 0.15 3.58 -1.08 0.92 -4.20 116.67 120.64 2zuf s ASP 91 Ca 0.70 -2.79 -0.25 0.00 -0.52 0.00 0.00 52.55 49.70 2zuf s ASP 91 Cb -0.24 -2.34 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2zuf s ASP 91 CO 0.43 -0.73 1.61 1.88 0.52 0.00 0.00 175.17 178.88 2zuf h TYR 92 N 7.64 -0.85 -0.15 -5.34 -1.99 -1.92 -3.28 116.97 111.07 2zuf h TYR 92 Ca 0.21 0.04 0.01 0.00 2.00 0.00 0.00 58.73 61.00 2zuf h TYR 92 Cb 0.94 0.41 -0.02 0.00 2.00 0.00 0.00 36.73 40.06 2zuf h TYR 92 CO 1.05 -0.38 -0.09 -2.30 -0.00 0.00 0.00 178.16 176.44 2zuf n PRO 93 N -5.40 -0.07 -0.06 4.88 -0.02 -1.26 0.65 135.00 133.72 2zuf n PRO 93 Ca -0.02 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2zuf n PRO 93 Cb 0.32 -0.63 -0.06 0.00 -0.02 0.00 0.00 33.50 33.12 2zuf n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2zuf h HIS 94 N 0.00 1.00 -0.23 6.00 3.86 -1.92 -2.60 115.15 121.27 2zuf h HIS 94 Ca 0.02 -0.38 0.04 0.00 -1.16 0.00 0.00 60.37 58.89 2zuf h HIS 94 Cb 0.06 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 2zuf h HIS 94 CO -0.34 1.20 -0.01 0.35 0.86 0.00 0.00 177.93 179.98 2zuf h PHE 95 N 0.53 -0.03 -0.85 2.45 3.57 -0.93 0.12 116.94 121.79 2zuf h PHE 95 Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2zuf h PHE 95 Cb 1.17 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 2zuf h PHE 95 CO 0.08 -0.05 0.57 0.00 -2.23 0.00 0.00 178.31 176.68 2zuf h ALA 96 N 1.20 1.08 -0.14 2.41 0.00 0.21 -1.83 119.26 122.19 2zuf h ALA 96 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2zuf h ALA 96 Cb 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2zuf h ALA 96 CO -0.19 0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 2zuf h ARG 97 N 1.16 0.27 -0.70 0.00 3.08 -1.01 -1.42 114.38 115.77 2zuf h ARG 97 Ca 0.31 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 2zuf h ARG 97 Cb -0.13 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2zuf h ARG 97 CO -0.07 0.57 0.21 0.82 -1.07 0.00 0.00 179.97 180.44 2zuf h ILE 98 N -0.04 1.25 0.15 2.04 2.04 -0.93 -1.50 117.51 120.52 2zuf h ILE 98 Ca 0.03 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2zuf h ILE 98 Cb 0.48 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2zuf h ILE 98 CO 0.02 0.35 -0.07 0.25 0.00 0.00 0.00 178.15 178.69 2zuf h LEU 99 N 1.04 -0.17 -0.65 1.44 7.12 -1.32 -1.94 115.31 120.82 2zuf h LEU 99 Ca 0.23 -0.24 0.04 0.00 0.13 0.00 0.00 57.88 58.03 2zuf h LEU 99 Cb 0.30 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.43 2zuf h LEU 99 CO -0.01 0.16 0.39 0.40 -0.13 0.00 0.00 178.44 179.26 2zuf h ILE 100 N -0.52 1.06 -0.52 4.05 1.08 -1.21 -0.56 117.51 120.90 2zuf h ILE 100 Ca -0.02 -0.26 -0.04 0.00 -0.39 0.00 0.00 64.86 64.15 2zuf h ILE 100 Cb 0.40 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 2zuf h ILE 100 CO 0.03 0.14 0.16 -1.13 -0.69 0.00 0.00 178.15 176.66 2zuf h ASN 101 N 0.76 0.70 -0.34 1.72 -0.73 -1.26 -1.14 115.58 115.30 2zuf h ASN 101 Ca 0.27 -0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.21 2zuf h ASN 101 Cb 0.06 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 2zuf h ASN 101 CO -0.12 0.67 -0.28 -0.78 -0.37 0.00 0.00 177.43 176.55 2zuf h ASP 102 N 0.75 0.83 -0.57 1.15 3.58 -0.58 -1.00 116.42 120.58 2zuf h ASP 102 Ca 0.17 -0.45 0.02 0.00 0.42 0.00 0.00 57.03 57.18 2zuf h ASP 102 Cb 0.23 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2zuf h ASP 102 CO -0.01 1.11 0.36 0.40 -2.88 0.00 0.00 179.24 178.22 2zuf h ILE 103 N 0.56 1.11 -0.05 2.25 2.04 -0.64 -1.25 117.51 121.53 2zuf h ILE 103 Ca 0.06 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 2zuf h ILE 103 Cb 0.85 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2zuf h ILE 103 CO 0.07 0.13 -0.54 -0.07 0.00 0.00 0.00 178.15 177.75 2zuf h LEU 104 N 0.73 0.14 -0.11 1.44 4.07 -1.16 -0.00 115.31 120.42 2zuf h LEU 104 Ca 0.22 -0.07 -0.21 0.00 0.08 0.00 0.00 57.88 57.89 2zuf h LEU 104 Cb -0.04 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.67 2zuf h LEU 104 CO -0.07 0.65 -0.76 0.00 -1.08 0.00 0.00 178.44 177.18 2zuf h ALA 105 N 1.35 0.24 0.00 1.53 0.00 -0.88 -3.26 119.26 118.25 2zuf h ALA 105 Ca -0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 2zuf h ALA 105 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2zuf h ALA 105 CO 0.08 0.61 -0.92 0.87 0.00 0.00 0.00 179.25 179.88 2zuf h LYS 106 N 0.40 0.31 0.00 0.00 1.57 -1.21 -3.49 116.57 114.15 2zuf h LYS 106 Ca -0.06 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2zuf h LYS 106 Cb 1.40 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.81 2zuf h LYS 106 CO 0.16 1.04 0.00 0.41 -0.57 0.00 0.00 179.45 180.48 2zuf n GLY 107 N 0.93 3.16 0.00 3.86 0.00 -0.02 -1.89 105.19 111.23 2zuf n GLY 107 Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.82 2zuf n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2zuf n ASP 108 N 6.11 0.00 -1.06 1.61 8.00 -1.26 -1.26 116.55 128.69 2zuf n ASP 108 Ca 0.00 0.47 0.12 0.00 0.71 0.00 0.00 54.79 56.09 2zuf n ASP 108 Cb 0.00 -0.48 0.16 0.00 -0.02 0.00 0.00 41.12 40.79 2zuf n ASP 108 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2zuf n ARG 109 N -1.48 2.40 -0.30 -1.24 1.74 -0.79 -4.74 116.66 112.25 2zuf n ARG 109 Ca 0.01 -2.13 -0.09 0.00 -0.77 0.00 0.00 57.85 54.88 2zuf n ARG 109 Cb 0.05 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 2zuf n ARG 109 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2zuf h PHE 110 N 4.51 -1.54 -0.20 -1.55 3.57 -1.31 0.46 116.94 120.88 2zuf h PHE 110 Ca 0.00 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2zuf h PHE 110 Cb 0.98 0.78 0.00 0.00 2.79 0.00 0.00 35.95 40.50 2zuf h PHE 110 CO 0.14 -0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.22 2zuf n GLY 111 N -1.36 0.13 3.73 2.40 0.00 -1.26 -4.88 105.19 103.96 2zuf n GLY 111 Ca 0.02 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2zuf n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2zuf s SER 112 N -0.93 3.28 0.20 1.61 1.04 0.15 -4.72 113.70 114.33 2zuf s SER 112 Ca 0.14 1.18 -0.13 0.00 0.48 0.00 0.00 55.95 57.62 2zuf s SER 112 Cb 0.08 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2zuf s SER 112 CO 0.09 -2.72 0.42 -0.55 0.98 0.00 0.00 173.24 171.46 2zuf s SER 113 N -3.69 -0.10 -0.06 7.02 0.15 -0.73 -4.99 113.70 111.30 2zuf s SER 113 Ca 0.64 -0.76 0.09 0.00 0.70 0.00 0.00 55.95 56.61 2zuf s SER 113 Cb -0.17 0.53 0.17 0.00 -1.71 0.00 0.00 66.02 64.85 2zuf s SER 113 CO 0.56 -1.03 1.11 -0.62 1.20 0.00 0.00 173.24 174.46 2zuf n GLU 114 N -0.31 2.40 0.24 5.44 1.02 -1.25 -2.13 120.64 126.06 2zuf n GLU 114 Ca -0.06 -2.03 0.18 0.00 -0.02 0.00 0.00 57.16 55.23 2zuf n GLU 114 Cb 0.62 -1.26 0.88 0.00 -0.02 0.00 0.00 31.44 31.67 2zuf n GLU 114 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2zuf h ILE 115 N 0.36 0.29 -0.43 -3.67 2.10 -1.91 -0.99 117.51 113.25 2zuf h ILE 115 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2zuf h ILE 115 Cb 0.77 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 2zuf h ILE 115 CO 0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.70 2zuf n GLY 116 N -1.32 1.91 3.65 8.18 0.00 -0.17 -4.99 105.19 112.44 2zuf n GLY 116 Ca 0.01 -0.66 -0.47 0.00 0.00 0.00 0.00 46.02 44.90 2zuf n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2zuf n LYS 117 N 1.31 1.92 -0.46 1.61 2.85 -0.38 -1.40 118.16 123.59 2zuf n LYS 117 Ca 0.18 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 58.13 2zuf n LYS 117 Cb 0.56 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.53 2zuf n LYS 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2zuf n GLY 118 N 2.97 1.24 3.67 2.58 0.00 -1.26 -5.02 105.19 109.37 2zuf n GLY 118 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2zuf n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zuf s LYS 119 N -0.31 3.11 -0.17 1.61 -0.14 -0.49 -5.02 119.74 118.33 2zuf s LYS 119 Ca 0.00 -0.40 -0.04 0.00 -1.36 0.00 0.00 55.97 54.17 2zuf s LYS 119 Cb 0.00 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2zuf s LYS 119 CO 0.00 0.65 -0.03 0.21 -0.76 0.00 0.00 175.35 175.41 2zuf s LYS 120 N -0.72 3.63 -0.14 1.68 2.20 -1.26 -0.75 119.74 124.38 2zuf s LYS 120 Ca 0.11 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2zuf s LYS 120 Cb -0.12 -2.94 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2zuf s LYS 120 CO 0.02 0.17 -0.15 0.08 -0.36 0.00 0.00 175.35 175.12 2zuf s VAL 121 N 0.55 2.80 -0.25 4.02 1.01 0.15 -0.65 120.40 128.04 2zuf s VAL 121 Ca -0.03 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 2zuf s VAL 121 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2zuf s VAL 121 CO 0.03 0.52 0.10 -0.63 0.00 0.00 0.00 175.10 175.12 2zuf s ILE 122 N 0.59 4.64 -0.21 2.22 1.01 -0.48 -0.17 121.20 128.81 2zuf s ILE 122 Ca -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2zuf s ILE 122 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2zuf s ILE 122 CO 0.03 0.33 -0.03 -0.69 0.00 0.00 0.00 174.94 174.58 2zuf s VAL 123 N 1.50 3.62 -0.22 2.92 1.01 0.47 -1.45 120.40 128.24 2zuf s VAL 123 Ca 0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2zuf s VAL 123 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2zuf s VAL 123 CO 0.05 0.43 0.01 -0.70 0.00 0.00 0.00 175.10 174.89 2zuf s GLU 124 N 1.19 3.55 0.18 2.72 2.12 -0.58 0.23 118.70 128.12 2zuf s GLU 124 Ca 0.03 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 54.77 2zuf s GLU 124 Cb -0.14 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2zuf s GLU 124 CO -0.00 -0.12 0.19 -3.38 -0.54 0.00 0.00 175.26 171.41 2zuf s HIS 125 N 1.34 0.85 0.00 5.30 -3.43 -1.07 -1.47 115.29 116.81 2zuf s HIS 125 Ca 0.04 -1.15 0.00 0.00 -0.80 0.00 0.00 55.06 53.15 2zuf s HIS 125 Cb -0.15 -0.35 0.00 0.00 -1.43 0.00 0.00 32.58 30.66 2zuf s HIS 125 CO 0.01 -0.68 0.00 2.41 -2.00 0.00 0.00 174.74 174.48 2zuf n THR 126 N -0.24 0.00 -3.91 -5.38 -1.04 -1.26 -4.55 114.28 97.90 2zuf n THR 126 Ca -0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 2zuf n THR 126 Cb 0.64 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.17 2zuf n THR 126 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2zuf n SER 127 N 4.18 -3.29 -4.92 8.00 7.64 -1.26 -4.93 113.62 119.03 2zuf n SER 127 Ca 0.00 -0.97 -0.29 0.00 1.01 0.00 0.00 58.87 58.62 2zuf n SER 127 Cb 0.00 -1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 61.93 2zuf n SER 127 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2zuf s VAL 128 N -3.63 5.21 0.33 0.44 1.01 -1.26 -4.89 120.40 117.62 2zuf s VAL 128 Ca 0.31 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2zuf s VAL 128 Cb -0.17 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 2zuf s VAL 128 CO 0.75 -0.09 1.36 0.20 0.00 0.00 0.00 175.10 177.32 2zuf s ASN 129 N -2.93 6.66 -1.17 3.32 0.02 -1.26 -4.59 114.94 114.98 2zuf s ASN 129 Ca 0.39 2.78 -0.07 0.00 -1.02 0.00 0.00 52.86 54.93 2zuf s ASN 129 Cb -0.11 -2.65 -0.08 0.00 0.02 0.00 0.00 41.25 38.43 2zuf s ASN 129 CO 0.28 -0.63 2.55 -0.81 0.02 0.00 0.00 177.10 178.50 2zuf n PRO 130 N 0.87 2.77 0.00 -0.60 -0.04 -1.26 -3.91 135.00 132.83 2zuf n PRO 130 Ca 0.01 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 2zuf n PRO 130 Cb 0.41 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 2zuf n PRO 130 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2zuf n THR 131 N 3.81 0.04 -3.83 0.52 -2.24 -1.26 -4.79 114.28 106.53 2zuf n THR 131 Ca 0.59 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 62.25 2zuf n THR 131 Cb 0.21 1.02 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2zuf n THR 131 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2zuf s LYS 132 N -0.04 1.89 0.41 -0.78 -2.85 -1.25 -2.96 119.74 114.15 2zuf s LYS 132 Ca 0.00 -1.13 -0.05 0.00 -1.00 0.00 0.00 55.97 53.79 2zuf s LYS 132 Cb 0.00 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 2zuf s LYS 132 CO 0.00 -0.88 0.70 -1.25 0.10 0.00 0.00 175.35 174.03 2zuf s PRO 133 N -3.16 3.60 0.31 1.78 0.04 -1.16 -4.69 135.00 131.73 2zuf s PRO 133 Ca 0.13 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.03 2zuf s PRO 133 Cb -0.05 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 2zuf s PRO 133 CO 0.08 -0.04 1.10 -0.51 0.04 0.00 0.00 177.00 177.68 2zuf s LEU 134 N -4.27 4.46 0.49 -3.56 1.02 -1.26 -4.97 118.68 110.59 2zuf s LEU 134 Ca 0.46 2.25 0.03 0.00 0.02 0.00 0.00 54.13 56.90 2zuf s LEU 134 Cb -0.10 -3.74 -0.02 0.00 0.02 0.00 0.00 46.19 42.35 2zuf s LEU 134 CO 0.38 -0.24 0.06 -1.38 0.02 0.00 0.00 176.35 175.19 2zuf s HIS 135 N -1.26 2.01 0.38 0.29 -3.43 -1.26 -1.28 115.29 110.75 2zuf s HIS 135 Ca 0.47 -0.86 0.13 0.00 -0.80 0.00 0.00 55.06 54.00 2zuf s HIS 135 Cb -0.31 -1.71 0.94 0.00 -1.43 0.00 0.00 32.58 30.08 2zuf s HIS 135 CO 0.39 0.18 1.85 0.52 -2.00 0.00 0.00 174.74 175.68 2zuf h MET 136 N 1.36 0.54 -0.73 -0.38 2.86 -1.89 0.38 114.93 117.07 2zuf h MET 136 Ca -0.43 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 2zuf h MET 136 Cb 1.30 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 2zuf h MET 136 CO 0.73 0.36 0.26 0.78 1.06 0.00 0.00 176.91 180.11 2zuf h GLY 137 N 0.56 1.19 1.03 8.32 0.00 -1.93 0.10 103.07 112.34 2zuf h GLY 137 Ca 0.48 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2zuf h GLY 137 CO -0.22 0.62 -0.09 0.45 0.00 0.00 0.00 176.54 177.30 2zuf h HIS 138 N 1.08 1.00 -0.36 5.60 -0.00 -1.37 -2.74 115.15 118.36 2zuf h HIS 138 Ca 0.24 -0.21 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 2zuf h HIS 138 Cb 0.25 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2zuf h HIS 138 CO 0.02 0.97 0.03 0.00 -0.00 0.00 0.00 177.93 178.96 2zuf h ALA 139 N 0.89 1.38 -0.58 2.45 0.00 -0.64 0.64 119.26 123.40 2zuf h ALA 139 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2zuf h ALA 139 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2zuf h ALA 139 CO 0.04 0.44 0.23 -0.09 0.00 0.00 0.00 179.25 179.87 2zuf h ARG 140 N 0.54 0.87 0.25 0.00 2.43 -0.57 0.46 114.38 118.37 2zuf h ARG 140 Ca 0.12 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2zuf h ARG 140 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2zuf h ARG 140 CO 0.01 0.75 -0.12 -0.97 -1.51 0.00 0.00 179.97 178.13 2zuf h ASN 141 N 0.81 -0.29 -0.43 -3.80 -0.73 -1.10 -1.63 115.58 108.40 2zuf h ASN 141 Ca 0.19 -0.08 0.04 0.00 1.87 0.00 0.00 56.30 58.33 2zuf h ASN 141 Cb 0.21 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 2zuf h ASN 141 CO -0.02 -0.10 0.18 0.00 -0.37 0.00 0.00 177.43 177.13 2zuf h ALA 142 N 0.25 0.53 -0.38 1.57 0.00 -0.72 -1.48 119.26 119.03 2zuf h ALA 142 Ca -0.03 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2zuf h ALA 142 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2zuf h ALA 142 CO 0.06 -0.19 -0.13 0.82 0.00 0.00 0.00 179.25 179.80 2zuf h ILE 143 N 0.37 1.28 -0.58 0.00 1.08 -0.91 -0.07 117.51 118.69 2zuf h ILE 143 Ca 0.19 -1.24 0.02 0.00 -0.39 0.00 0.00 64.86 63.45 2zuf h ILE 143 Cb 0.15 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 2zuf h ILE 143 CO -0.17 0.41 0.35 -0.07 -0.69 0.00 0.00 178.15 177.99 2zuf h LEU 144 N 0.57 0.58 -0.38 1.44 4.07 -1.09 0.12 115.31 120.61 2zuf h LEU 144 Ca 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 2zuf h LEU 144 Cb 0.67 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 2zuf h LEU 144 CO 0.05 0.41 0.04 1.23 -1.08 0.00 0.00 178.44 179.09 2zuf h GLY 145 N 0.70 0.70 1.21 0.83 0.00 -1.10 -2.27 103.07 103.14 2zuf h GLY 145 Ca 0.23 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2zuf h GLY 145 CO -0.09 0.45 0.32 -1.80 0.00 0.00 0.00 176.54 175.42 2zuf h ASP 146 N 0.48 0.93 -0.39 0.19 3.58 -0.42 -1.26 116.42 119.54 2zuf h ASP 146 Ca 0.11 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2zuf h ASP 146 Cb 0.40 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2zuf h ASP 146 CO 0.01 0.80 -0.19 0.58 -2.88 0.00 0.00 179.24 177.56 2zuf h VAL 147 N 1.01 1.28 -0.86 2.25 2.07 -0.69 -2.09 116.25 119.22 2zuf h VAL 147 Ca 0.24 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.47 2zuf h VAL 147 Cb 0.13 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2zuf h VAL 147 CO -0.03 0.44 0.56 0.24 0.02 0.00 0.00 177.57 178.80 2zuf h MET 148 N 0.61 1.08 -0.58 1.57 2.86 -1.03 0.14 114.93 119.58 2zuf h MET 148 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2zuf h MET 148 Cb 0.74 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2zuf h MET 148 CO 0.06 0.71 0.32 0.00 1.06 0.00 0.00 176.91 179.06 2zuf h ALA 149 N 1.34 0.75 -0.33 6.32 0.00 -1.12 0.14 119.26 126.36 2zuf h ALA 149 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2zuf h ALA 149 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2zuf h ALA 149 CO -0.10 0.27 0.10 0.00 0.00 0.00 0.00 179.25 179.53 2zuf h ARG 150 N 0.79 0.51 -0.42 0.00 3.08 -0.65 -0.83 114.38 116.87 2zuf h ARG 150 Ca 0.21 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2zuf h ARG 150 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2zuf h ARG 150 CO -0.03 0.55 0.11 0.82 -1.07 0.00 0.00 179.97 180.35 2zuf h ILE 151 N 0.38 1.23 -0.47 2.04 2.04 -0.51 -1.68 117.51 120.54 2zuf h ILE 151 Ca 0.11 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2zuf h ILE 151 Cb 0.25 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2zuf h ILE 151 CO -0.00 0.27 0.09 -0.07 0.00 0.00 0.00 178.15 178.45 2zuf h LEU 152 N 0.54 0.73 -0.71 1.44 3.38 -0.61 -1.68 115.31 118.39 2zuf h LEU 152 Ca 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2zuf h LEU 152 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2zuf h LEU 152 CO 0.00 0.79 0.27 0.03 0.09 0.00 0.00 178.44 179.62 2zuf h ARG 153 N 0.64 1.08 -0.04 1.13 3.08 -1.12 -1.22 114.38 117.92 2zuf h ARG 153 Ca 0.14 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2zuf h ARG 153 Cb 0.36 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2zuf h ARG 153 CO 0.01 0.90 0.04 0.35 -1.07 0.00 0.00 179.97 180.20 2zuf h PHE 154 N 1.03 0.00 -0.39 3.04 -0.00 -0.95 0.01 116.94 119.67 2zuf h PHE 154 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.21 2zuf h PHE 154 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.19 2zuf h PHE 154 CO 0.02 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.61 2zuf n LEU 155 N -3.98 2.47 0.00 0.59 4.77 -0.53 -1.77 117.00 118.55 2zuf n LEU 155 Ca -0.02 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 2zuf n LEU 155 Cb 0.13 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2zuf n LEU 155 CO 0.29 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2zuf n GLY 156 N 0.99 1.00 3.79 -0.72 0.00 -0.01 -1.00 105.19 109.25 2zuf n GLY 156 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2zuf n GLY 156 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zuf s TYR 157 N -2.45 2.94 -0.18 1.61 2.02 -0.79 -3.13 117.35 117.37 2zuf s TYR 157 Ca 0.00 1.56 -0.20 0.00 -0.37 0.00 0.00 57.07 58.06 2zuf s TYR 157 Cb 0.00 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 2zuf s TYR 157 CO 0.00 -0.99 0.59 -2.00 -1.57 0.00 0.00 175.55 171.58 2zuf s GLU 158 N -3.38 4.24 -0.04 -0.62 2.12 0.07 -4.23 118.70 116.86 2zuf s GLU 158 Ca 0.67 0.57 0.07 0.00 0.36 0.00 0.00 54.97 56.64 2zuf s GLU 158 Cb -0.17 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 2zuf s GLU 158 CO 0.24 -0.15 -0.25 0.08 -0.54 0.00 0.00 175.26 174.63 2zuf s VAL 159 N 1.62 2.10 -0.20 3.70 1.01 -1.26 0.35 120.40 127.72 2zuf s VAL 159 Ca 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2zuf s VAL 159 Cb -0.16 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.53 2zuf s VAL 159 CO 0.11 0.58 -0.06 -0.70 0.00 0.00 0.00 175.10 175.02 2zuf s GLU 160 N -0.38 1.61 -0.26 2.72 2.12 0.76 -4.96 118.70 120.31 2zuf s GLU 160 Ca 0.03 -0.74 -0.18 0.00 0.36 0.00 0.00 54.97 54.45 2zuf s GLU 160 Cb -0.12 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 2zuf s GLU 160 CO 0.01 -0.49 0.52 0.08 -0.54 0.00 0.00 175.26 174.85 2zuf s VAL 161 N 1.51 5.07 -0.00 3.70 1.01 -1.26 -0.40 120.40 130.03 2zuf s VAL 161 Ca -0.02 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2zuf s VAL 161 Cb -0.17 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2zuf s VAL 161 CO -0.07 0.08 -0.05 -1.10 0.00 0.00 0.00 175.10 173.96 2zuf s GLN 162 N 2.31 2.61 -0.24 2.72 -0.21 0.14 -1.36 119.66 125.62 2zuf s GLN 162 Ca 0.21 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.92 2zuf s GLN 162 Cb -0.16 -2.54 0.06 0.00 1.00 0.00 0.00 33.01 31.37 2zuf s GLN 162 CO 0.09 0.61 -0.04 1.21 -2.12 0.00 0.00 175.29 175.04 2zuf s ASN 163 N -1.40 3.93 -0.06 5.90 2.47 -0.57 -2.60 114.94 122.61 2zuf s ASN 163 Ca 0.17 -1.26 -0.28 0.00 0.42 0.00 0.00 52.86 51.92 2zuf s ASN 163 Cb -0.11 -1.20 -0.03 0.00 -1.45 0.00 0.00 41.25 38.46 2zuf s ASN 163 CO 0.08 -0.25 0.90 -0.47 -3.72 0.00 0.00 177.10 173.64 2zuf s TYR 164 N 1.37 3.58 -0.31 0.43 5.04 -1.26 -0.94 117.35 125.26 2zuf s TYR 164 Ca -0.04 1.52 -0.04 0.00 -2.44 0.00 0.00 57.07 56.06 2zuf s TYR 164 Cb -0.19 -3.04 0.04 0.00 0.35 0.00 0.00 41.96 39.12 2zuf s TYR 164 CO -0.07 -0.05 0.04 0.42 -1.34 0.00 0.00 175.55 174.55 2zuf s ILE 165 N 1.28 3.40 -1.04 3.14 -1.09 0.19 -4.17 121.20 122.91 2zuf s ILE 165 Ca 0.46 -1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 2zuf s ILE 165 Cb -0.19 -2.89 0.16 0.00 -1.58 0.00 0.00 42.46 37.96 2zuf s ILE 165 CO 0.22 -0.08 1.21 -0.62 -1.23 0.00 0.00 174.94 174.44 2zuf s ASP 166 N 1.35 6.86 0.00 3.58 -1.08 -1.26 -0.30 116.67 125.81 2zuf s ASP 166 Ca -0.02 -2.56 0.16 0.00 -0.52 0.00 0.00 52.55 49.60 2zuf s ASP 166 Cb -0.19 -2.37 0.65 0.00 -1.46 0.00 0.00 42.92 39.55 2zuf s ASP 166 CO 0.01 -0.85 1.46 -0.90 0.52 0.00 0.00 175.17 175.40 2zuf n ASP 167 N 5.74 1.17 0.00 -0.34 3.85 -1.26 -3.62 116.55 122.08 2zuf n ASP 167 Ca 0.28 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.62 2zuf n ASP 167 Cb 0.46 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 2zuf n ASP 167 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2zuf n LEU 168 N 0.03 1.60 -4.85 -2.12 4.77 -1.26 -4.82 117.00 110.36 2zuf n LEU 168 Ca 0.13 -1.60 -0.30 0.00 -0.03 0.00 0.00 56.01 54.20 2zuf n LEU 168 Cb 0.23 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2zuf n LEU 168 CO 0.10 0.40 0.73 -0.83 -1.33 0.00 0.00 177.39 176.46 2zuf s GLY 169 N -0.71 1.64 0.32 -0.72 0.00 -1.24 -4.84 107.32 101.77 2zuf s GLY 169 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.60 2zuf s GLY 169 CO 0.00 0.17 1.84 1.19 0.00 0.00 0.00 173.10 176.30 2zuf h ILE 170 N -0.67 0.84 0.55 0.90 6.09 -1.97 0.18 117.51 123.42 2zuf h ILE 170 Ca -0.45 -0.28 -0.02 0.00 -1.37 0.00 0.00 64.86 62.74 2zuf h ILE 170 Cb 1.23 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.47 2zuf h ILE 170 CO 0.61 0.15 -0.30 1.56 -3.07 0.00 0.00 178.15 177.10 2zuf h GLN 171 N 0.81 -0.76 -0.83 2.19 1.08 -1.94 0.11 115.11 115.77 2zuf h GLN 171 Ca 0.49 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.73 2zuf h GLN 171 Cb 0.68 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.25 2zuf h GLN 171 CO -0.26 -0.51 0.46 0.35 -0.95 0.00 0.00 178.83 177.92 2zuf h PHE 172 N -0.79 1.13 -0.66 2.96 3.57 -1.66 -1.87 116.94 119.63 2zuf h PHE 172 Ca -0.07 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2zuf h PHE 172 Cb 0.62 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2zuf h PHE 172 CO -0.06 0.78 0.38 0.00 -2.23 0.00 0.00 178.31 177.17 2zuf h ALA 173 N 1.35 1.42 -0.42 2.41 0.00 -0.64 0.11 119.26 123.50 2zuf h ALA 173 Ca 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2zuf h ALA 173 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2zuf h ALA 173 CO -0.05 0.49 0.10 1.96 0.00 0.00 0.00 179.25 181.75 2zuf h GLN 174 N 0.91 0.67 -0.03 0.00 4.20 0.01 -1.66 115.11 119.20 2zuf h GLN 174 Ca 0.24 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 2zuf h GLN 174 Cb -0.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2zuf h GLN 174 CO -0.04 0.69 -0.83 -0.39 -0.67 0.00 0.00 178.83 177.58 2zuf h VAL 175 N 0.53 1.41 -0.83 -0.54 -1.51 -1.04 -2.58 116.25 111.70 2zuf h VAL 175 Ca 0.13 -2.33 -0.01 0.00 -1.23 0.00 0.00 66.70 63.25 2zuf h VAL 175 Cb 0.32 2.28 -0.04 0.00 -2.13 0.00 0.00 31.29 31.73 2zuf h VAL 175 CO 0.00 0.69 0.46 0.22 -1.23 0.00 0.00 177.57 177.72 2zuf h TYR 176 N 0.23 1.13 -0.87 5.19 3.20 -0.92 0.47 116.97 125.40 2zuf h TYR 176 Ca -0.05 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2zuf h TYR 176 Cb 1.44 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2zuf h TYR 176 CO 0.05 0.78 0.54 2.35 -1.64 0.00 0.00 178.16 180.24 2zuf h TRP 177 N 1.15 1.12 -0.10 -3.82 7.01 -1.22 0.23 115.95 120.32 2zuf h TRP 177 Ca 0.29 0.01 -0.14 0.00 2.11 0.00 0.00 58.89 61.16 2zuf h TRP 177 Cb 0.02 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.70 2zuf h TRP 177 CO 0.00 0.73 -0.54 0.78 -2.79 0.00 0.00 178.44 176.63 2zuf h GLY 178 N 1.20 0.33 1.15 2.65 0.00 -0.74 0.23 103.07 107.90 2zuf h GLY 178 Ca 0.31 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2zuf h GLY 178 CO -0.06 0.34 -0.26 -1.82 0.00 0.00 0.00 176.54 174.74 2zuf h TYR 179 N 0.23 1.11 0.05 5.60 3.20 0.12 -1.43 116.97 125.84 2zuf h TYR 179 Ca 0.00 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.59 2zuf h TYR 179 Cb 1.03 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2zuf h TYR 179 CO 0.02 1.10 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.55 2zuf h LEU 180 N 0.81 -0.05 -3.83 2.82 3.38 -0.39 -3.30 115.31 114.75 2zuf h LEU 180 Ca 0.10 -0.60 -0.44 0.00 0.09 0.00 0.00 57.88 57.02 2zuf h LEU 180 Cb 0.84 0.01 -0.26 0.00 0.09 0.00 0.00 40.66 41.34 2zuf h LEU 180 CO 0.07 0.62 0.45 0.54 0.09 0.00 0.00 178.44 180.21 2zuf n ARG 181 N -4.79 2.20 -1.01 1.13 1.74 0.81 -4.21 116.66 112.52 2zuf n ARG 181 Ca -0.08 -3.10 -0.05 0.00 -0.77 0.00 0.00 57.85 53.84 2zuf n ARG 181 Cb 0.32 -2.10 -0.06 0.00 -1.02 0.00 0.00 32.46 29.61 2zuf n ARG 181 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2zuf n LEU 182 N -1.12 -0.73 0.03 0.55 4.77 -0.54 -4.93 117.00 115.03 2zuf n LEU 182 Ca 0.53 -1.92 0.22 0.00 -0.03 0.00 0.00 56.01 54.81 2zuf n LEU 182 Cb 1.42 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 43.21 2zuf n LEU 182 CO 0.51 1.36 1.20 0.50 -1.33 0.00 0.00 177.39 179.63 2zuf h LYS 183 N 0.09 0.00 0.06 3.23 1.63 -1.67 0.15 116.57 120.07 2zuf h LYS 183 Ca -0.49 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2zuf h LYS 183 Cb 1.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 2zuf h LYS 183 CO -0.23 0.00 -0.03 0.93 -3.45 0.00 0.00 179.45 176.67 2zuf h GLU 184 N 0.00 -0.08 -0.02 1.90 3.07 -1.92 -2.11 114.58 115.42 2zuf h GLU 184 Ca 0.26 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 2zuf h GLU 184 Cb 1.44 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 2zuf h GLU 184 CO -0.00 0.49 -0.44 1.49 -1.40 0.00 0.00 179.01 179.15 2zuf h GLU 185 N -0.75 0.05 0.21 2.33 4.57 -1.45 -2.64 114.58 116.91 2zuf h GLU 185 Ca -0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2zuf h GLU 185 Cb 0.61 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2zuf h GLU 185 CO 0.01 0.48 -0.10 0.35 -1.18 0.00 0.00 179.01 178.57 2zuf h PHE 186 N 0.04 -0.26 -1.00 0.92 3.57 -0.84 -1.96 116.94 117.41 2zuf h PHE 186 Ca 0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 2zuf h PHE 186 Cb 0.79 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.54 2zuf h PHE 186 CO 0.00 -0.03 0.63 0.93 -2.23 0.00 0.00 178.31 177.61 2zuf h GLU 187 N -0.46 1.00 -0.19 1.11 4.39 -1.25 -0.75 114.58 118.43 2zuf h GLU 187 Ca -0.03 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2zuf h GLU 187 Cb 0.35 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2zuf h GLU 187 CO 0.05 0.66 0.10 -0.09 -1.16 0.00 0.00 179.01 178.57 2zuf h ARG 188 N 1.03 0.26 -0.72 2.33 2.43 -1.32 -1.78 114.38 116.62 2zuf h ARG 188 Ca 0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2zuf h ARG 188 Cb 0.42 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2zuf h ARG 188 CO -0.25 0.26 0.46 0.82 -1.51 0.00 0.00 179.97 179.76 2zuf h ILE 189 N 0.19 1.19 -0.63 1.20 2.04 -0.52 -2.13 117.51 118.86 2zuf h ILE 189 Ca 0.06 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2zuf h ILE 189 Cb 0.08 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2zuf h ILE 189 CO -0.01 0.19 0.10 0.24 0.00 0.00 0.00 178.15 178.67 2zuf h MET 190 N 0.97 1.02 -0.22 2.37 2.86 -1.04 -1.92 114.93 118.98 2zuf h MET 190 Ca 0.26 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2zuf h MET 190 Cb -0.08 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2zuf h MET 190 CO -0.05 0.94 -0.32 -0.91 1.06 0.00 0.00 176.91 177.62 2zuf h ASN 191 N 0.96 0.46 -0.18 1.22 2.35 -0.98 -1.45 115.58 117.96 2zuf h ASN 191 Ca 0.19 -0.18 -0.19 0.00 -0.55 0.00 0.00 56.30 55.58 2zuf h ASN 191 Cb 0.42 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2zuf h ASN 191 CO 0.01 0.76 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.62 2zuf h GLU 192 N 0.39 0.79 -0.34 0.81 5.08 -1.23 -3.14 114.58 116.93 2zuf h GLU 192 Ca 0.05 -0.53 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 2zuf h GLU 192 Cb 0.76 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2zuf h GLU 192 CO 0.06 1.16 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.99 2zuf h LEU 193 N 0.59 0.61 -0.88 1.33 3.38 -1.17 -2.98 115.31 116.20 2zuf h LEU 193 Ca -0.00 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2zuf h LEU 193 Cb 1.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2zuf h LEU 193 CO 0.13 0.79 0.17 0.03 0.09 0.00 0.00 178.44 179.65 2zuf h ARG 194 N 0.56 1.00 0.00 1.13 3.08 -1.25 -1.64 114.38 117.25 2zuf h ARG 194 Ca 0.09 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2zuf h ARG 194 Cb 0.60 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2zuf h ARG 194 CO 0.04 0.88 0.00 0.39 -1.07 0.00 0.00 179.97 180.21 2zuf n GLU 195 N -4.25 0.01 0.16 0.04 -0.58 -1.13 -2.34 120.64 112.55 2zuf n GLU 195 Ca 0.05 0.21 0.12 0.00 -0.42 0.00 0.00 57.16 57.12 2zuf n GLU 195 Cb 0.24 -1.52 0.09 0.00 -0.57 0.00 0.00 31.44 29.67 2zuf n GLU 195 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2zuf h ARG 196 N 0.00 0.00 -3.74 3.49 3.08 -1.24 -3.48 114.38 112.48 2zuf h ARG 196 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 2zuf h ARG 196 Cb 0.30 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.43 2zuf h ARG 196 CO 0.00 0.00 -0.42 0.41 -1.07 0.00 0.00 179.97 178.90 2zuf n GLY 197 N 1.14 -0.02 0.13 0.04 0.00 -0.99 -4.96 105.19 100.53 2zuf n GLY 197 Ca 0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2zuf n GLY 197 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2zuf h LEU 198 N -1.47 0.43 -7.73 0.99 -0.00 -1.85 -3.49 115.31 102.20 2zuf h LEU 198 Ca -0.35 -0.76 0.17 0.00 -0.00 0.00 0.00 57.88 56.94 2zuf h LEU 198 Cb 1.23 -0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 41.69 2zuf h LEU 198 CO 0.36 1.14 0.51 -1.59 -0.00 0.00 0.00 178.44 178.86 2zuf s LYS 199 N -3.18 1.24 0.15 1.13 -2.85 -1.26 -5.06 119.74 109.90 2zuf s LYS 199 Ca -0.14 -0.72 -0.18 0.00 -1.00 0.00 0.00 55.97 53.94 2zuf s LYS 199 Cb 0.03 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 36.24 2zuf s LYS 199 CO 0.80 -0.57 1.71 -0.44 0.10 0.00 0.00 175.35 176.94 2zuf h ASP 200 N 2.00 -0.12 -2.70 0.03 3.32 -2.00 -3.36 116.42 113.58 2zuf h ASP 200 Ca -0.25 0.07 -0.60 0.00 0.02 0.00 0.00 57.03 56.27 2zuf h ASP 200 Cb 1.23 0.13 -0.39 0.00 0.22 0.00 0.00 39.33 40.51 2zuf h ASP 200 CO 0.28 -0.03 -0.83 0.21 -1.72 0.00 0.00 179.24 177.15 2zuf s ASN 201 N -5.25 2.69 0.00 6.45 2.47 -1.26 -5.00 114.94 115.04 2zuf s ASN 201 Ca -0.13 -3.17 -0.02 0.00 0.42 0.00 0.00 52.86 49.96 2zuf s ASN 201 Cb 0.12 -0.82 -0.09 0.00 -1.45 0.00 0.00 41.25 39.01 2zuf s ASN 201 CO 0.70 -0.17 1.94 -0.81 -3.72 0.00 0.00 177.10 175.04 2zuf n PRO 202 N 2.77 0.98 0.26 0.43 -0.04 -1.26 -4.32 135.00 133.82 2zuf n PRO 202 Ca 0.23 -0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2zuf n PRO 202 Cb 0.42 -1.53 0.69 0.00 -0.04 0.00 0.00 33.50 33.04 2zuf n PRO 202 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2zuf h ILE 203 N 1.91 0.66 -0.08 0.52 6.09 -1.94 -1.30 117.51 123.38 2zuf h ILE 203 Ca 0.07 -0.54 -0.03 0.00 -1.37 0.00 0.00 64.86 62.99 2zuf h ILE 203 Cb 0.82 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 39.44 2zuf h ILE 203 CO 0.18 0.13 -0.06 -2.24 -3.07 0.00 0.00 178.15 173.09 2zuf h ASP 204 N 0.00 0.18 -0.19 2.19 2.03 -1.84 -1.84 116.42 116.95 2zuf h ASP 204 Ca -0.00 -0.45 0.01 0.00 -0.73 0.00 0.00 57.03 55.86 2zuf h ASP 204 Cb 0.33 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.76 2zuf h ASP 204 CO 0.02 0.60 0.08 0.45 -1.03 0.00 0.00 179.24 179.36 2zuf h HIS 205 N -0.23 0.15 -1.00 4.15 3.86 -1.71 -1.80 115.15 118.57 2zuf h HIS 205 Ca 0.01 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 2zuf h HIS 205 Cb 0.54 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.89 2zuf h HIS 205 CO 0.08 0.09 0.63 0.00 0.86 0.00 0.00 177.93 179.59 2zuf h ALA 206 N 1.10 1.48 -0.11 2.45 0.00 -1.21 -1.28 119.26 121.69 2zuf h ALA 206 Ca 0.08 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2zuf h ALA 206 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2zuf h ALA 206 CO -0.06 0.28 -0.77 -0.07 0.00 0.00 0.00 179.25 178.62 2zuf h LEU 207 N 1.03 0.72 -0.61 0.00 4.07 -1.13 -1.58 115.31 117.80 2zuf h LEU 207 Ca 0.48 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 58.02 2zuf h LEU 207 Cb 0.41 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 2zuf h LEU 207 CO -0.24 1.25 0.32 1.23 -1.08 0.00 0.00 178.44 179.92 2zuf h GLY 208 N 0.91 0.89 1.93 0.83 0.00 -0.39 0.17 103.07 107.42 2zuf h GLY 208 Ca -0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 2zuf h GLY 208 CO 0.15 0.11 -0.62 1.41 0.00 0.00 0.00 176.54 177.59 2zuf h LEU 209 N 0.59 0.08 -0.78 3.11 3.38 -1.25 -3.00 115.31 117.44 2zuf h LEU 209 Ca 0.28 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2zuf h LEU 209 Cb 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2zuf h LEU 209 CO -0.20 0.68 -0.41 0.25 0.09 0.00 0.00 178.44 178.85 2zuf h LEU 210 N 0.05 0.45 -0.90 1.67 5.85 -0.36 -2.86 115.31 119.20 2zuf h LEU 210 Ca -0.01 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.60 2zuf h LEU 210 Cb 1.11 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 2zuf h LEU 210 CO 0.09 0.81 0.55 0.22 -0.34 0.00 0.00 178.44 179.77 2zuf h TYR 211 N 0.35 1.02 -0.76 1.25 3.20 -0.54 0.66 116.97 122.14 2zuf h TYR 211 Ca 0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2zuf h TYR 211 Cb 0.87 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 2zuf h TYR 211 CO 0.03 0.46 0.48 0.28 -1.64 0.00 0.00 178.16 177.77 2zuf h VAL 212 N 0.95 1.11 -0.20 1.81 2.07 -1.53 0.12 116.25 120.59 2zuf h VAL 212 Ca 0.42 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2zuf h VAL 212 Cb 0.30 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2zuf h VAL 212 CO -0.22 0.17 -0.10 -0.33 0.02 0.00 0.00 177.57 177.11 2zuf h GLU 213 N 0.94 0.42 -0.14 1.57 3.07 -1.24 -1.80 114.58 117.41 2zuf h GLU 213 Ca 0.30 -0.19 0.04 0.00 -0.50 0.00 0.00 59.36 59.02 2zuf h GLU 213 Cb 0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2zuf h GLU 213 CO -0.11 0.72 -0.11 0.28 -1.40 0.00 0.00 179.01 178.38 2zuf h VAL 214 N 0.11 0.68 -0.31 3.13 2.07 -0.50 0.30 116.25 121.73 2zuf h VAL 214 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2zuf h VAL 214 Cb 0.59 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2zuf h VAL 214 CO 0.03 0.00 0.07 -1.13 0.02 0.00 0.00 177.57 176.56 2zuf h ASN 215 N -0.12 0.40 -0.72 0.57 -0.73 -1.00 -0.35 115.58 113.64 2zuf h ASN 215 Ca 0.09 -0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 2zuf h ASN 215 Cb 0.26 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 2zuf h ASN 215 CO -0.22 0.42 0.27 -0.09 -0.37 0.00 0.00 177.43 177.44 2zuf h ARG 216 N 0.44 1.08 -0.07 6.67 9.65 -0.34 -0.48 114.38 131.33 2zuf h ARG 216 Ca 0.10 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2zuf h ARG 216 Cb 0.18 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2zuf h ARG 216 CO -0.00 0.90 0.01 0.00 2.80 0.00 0.00 179.97 183.68 2zuf h ARG 217 N 1.03 0.12 -0.75 0.20 2.47 0.17 -1.74 114.38 115.89 2zuf h ARG 217 Ca 0.24 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.00 2zuf h ARG 217 Cb 0.23 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 2zuf h ARG 217 CO -0.02 0.34 0.49 -0.07 0.56 0.00 0.00 179.97 181.28 2zuf h LEU 218 N -0.12 0.67 -0.17 3.04 3.38 -0.89 0.20 115.31 121.42 2zuf h LEU 218 Ca 0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2zuf h LEU 218 Cb 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2zuf h LEU 218 CO 0.00 0.43 -0.17 -0.33 0.09 0.00 0.00 178.44 178.46 2zuf h GLU 219 N 0.76 0.42 0.00 1.13 5.08 -0.94 -2.33 114.58 118.70 2zuf h GLU 219 Ca 0.33 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2zuf h GLU 219 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2zuf h GLU 219 CO -0.12 0.79 0.00 -0.44 -1.00 0.00 0.00 179.01 178.24 2zuf h ASP 220 N 0.08 0.00 -1.60 1.42 3.32 -0.41 -3.36 116.42 115.87 2zuf h ASP 220 Ca 0.03 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.70 2zuf h ASP 220 Cb 0.71 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.98 2zuf h ASP 220 CO 0.04 0.00 -0.76 -3.20 -1.72 0.00 0.00 179.24 173.61 2zuf n ASN 221 N -2.70 -1.83 0.14 6.45 5.15 0.62 -5.01 115.26 118.09 2zuf n ASN 221 Ca 0.02 -2.69 0.16 0.00 -0.60 0.00 0.00 54.58 51.46 2zuf n ASN 221 Cb 0.29 0.56 0.48 0.00 -0.53 0.00 0.00 39.78 40.58 2zuf n ASN 221 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2zuf h PRO 222 N 5.11 0.00 0.00 1.20 0.13 -1.58 0.13 132.00 136.99 2zuf h PRO 222 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2zuf h PRO 222 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2zuf h PRO 222 CO 0.23 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.39 2zuf n GLU 223 N -3.05 0.15 0.28 0.86 -0.58 -1.26 -2.62 120.64 114.42 2zuf n GLU 223 Ca 0.07 0.26 0.18 0.00 -0.42 0.00 0.00 57.16 57.25 2zuf n GLU 223 Cb 0.90 -1.73 0.75 0.00 -0.57 0.00 0.00 31.44 30.79 2zuf n GLU 223 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2zuf h LEU 224 N 0.00 0.00 -1.07 -4.62 3.38 -1.06 -2.39 115.31 109.55 2zuf h LEU 224 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2zuf h LEU 224 Cb 0.49 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 2zuf h LEU 224 CO 0.00 0.00 0.62 -0.08 0.09 0.00 0.00 178.44 179.07 2zuf h GLU 225 N 0.00 0.82 -0.42 1.13 4.81 -1.70 0.15 114.58 119.36 2zuf h GLU 225 Ca 0.00 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2zuf h GLU 225 Cb 0.42 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2zuf h GLU 225 CO 0.00 0.54 0.09 -0.91 -0.73 0.00 0.00 179.01 178.00 2zuf h ASN 226 N 0.84 0.03 -0.77 1.04 2.35 -1.66 -1.31 115.58 116.10 2zuf h ASN 226 Ca 0.52 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 56.36 2zuf h ASN 226 Cb 0.71 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 2zuf h ASN 226 CO -0.30 0.05 0.51 -0.33 -1.65 0.00 0.00 177.43 175.71 2zuf h GLU 227 N 0.23 0.97 -0.31 0.81 5.08 -0.88 -1.52 114.58 118.95 2zuf h GLU 227 Ca 0.21 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2zuf h GLU 227 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2zuf h GLU 227 CO -0.26 0.64 0.01 0.82 -1.00 0.00 0.00 179.01 179.22 2zuf h ILE 228 N 1.00 1.25 -0.86 3.13 1.08 -0.71 -2.08 117.51 120.33 2zuf h ILE 228 Ca 0.29 -0.93 0.06 0.00 -0.39 0.00 0.00 64.86 63.89 2zuf h ILE 228 Cb -0.05 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 2zuf h ILE 228 CO -0.07 0.30 0.53 0.03 -0.69 0.00 0.00 178.15 178.25 2zuf h ARG 229 N 0.35 0.96 -0.50 2.37 -0.00 -0.69 -0.42 114.38 116.43 2zuf h ARG 229 Ca 0.09 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.98 59.45 2zuf h ARG 229 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 29.97 30.16 2zuf h ARG 229 CO 0.01 0.63 0.06 0.22 0.00 0.00 0.00 179.97 180.90 2zuf h ASP 230 N 0.99 0.76 -0.65 7.04 3.58 -1.13 0.16 116.42 127.16 2zuf h ASP 230 Ca 0.37 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 2zuf h ASP 230 Cb 0.14 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2zuf h ASP 230 CO -0.16 0.79 0.08 0.40 -2.88 0.00 0.00 179.24 177.46 2zuf h ILE 231 N 0.76 1.26 -0.21 2.25 1.08 -0.57 -1.43 117.51 120.65 2zuf h ILE 231 Ca 0.16 -1.07 -0.04 0.00 -0.39 0.00 0.00 64.86 63.51 2zuf h ILE 231 Cb 0.37 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2zuf h ILE 231 CO 0.01 0.40 -0.04 -0.03 -0.69 0.00 0.00 178.15 177.80 2zuf h MET 232 N 1.02 0.40 -0.74 2.37 4.05 -0.52 -1.68 114.93 119.84 2zuf h MET 232 Ca 0.20 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 2zuf h MET 232 Cb 0.48 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 2zuf h MET 232 CO 0.02 0.63 0.47 -0.22 0.23 0.00 0.00 176.91 178.04 2zuf h LYS 233 N 0.14 0.90 0.00 0.39 3.64 -0.56 -1.53 116.57 119.55 2zuf h LYS 233 Ca 0.06 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2zuf h LYS 233 Cb 0.47 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2zuf h LYS 233 CO 0.02 0.59 -0.41 0.87 -2.27 0.00 0.00 179.45 178.25 2zuf h LYS 234 N 0.93 0.00 -0.04 1.90 1.57 -1.13 -1.29 116.57 118.51 2zuf h LYS 234 Ca 0.29 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.88 2zuf h LYS 234 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2zuf h LYS 234 CO -0.10 0.41 -0.79 -0.07 -0.57 0.00 0.00 179.45 178.33 2zuf h LEU 235 N 0.00 0.37 -0.06 2.94 3.38 -0.64 0.32 115.31 121.61 2zuf h LEU 235 Ca -0.00 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2zuf h LEU 235 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2zuf h LEU 235 CO 0.05 1.02 -0.31 -0.33 0.09 0.00 0.00 178.44 178.96 2zuf h GLU 236 N 0.19 0.32 0.00 1.13 5.08 -1.08 -3.21 114.58 117.01 2zuf h GLU 236 Ca -0.04 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 2zuf h GLU 236 Cb 1.38 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2zuf h GLU 236 CO 0.13 0.90 -0.12 0.66 -1.00 0.00 0.00 179.01 179.58 2zuf h SER 237 N -0.18 0.00 0.00 1.42 4.64 -1.29 -3.46 113.55 114.68 2zuf h SER 237 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2zuf h SER 237 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2zuf h SER 237 CO 0.06 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 2zuf n GLY 238 N 0.27 0.22 0.38 -0.77 0.00 -0.51 -4.94 105.19 99.83 2zuf n GLY 238 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2zuf n GLY 238 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2zuf h GLU 239 N 3.75 0.61 -6.62 1.61 4.81 -0.97 -3.39 114.58 114.38 2zuf h GLU 239 Ca 0.00 -0.04 -0.70 0.00 -0.13 0.00 0.00 59.36 58.50 2zuf h GLU 239 Cb 0.00 -0.14 -0.29 0.00 0.63 0.00 0.00 28.75 28.96 2zuf h GLU 239 CO 0.00 0.40 -0.88 -0.51 -0.73 0.00 0.00 179.01 177.30 2zuf s LEU 240 N -9.75 2.14 -0.28 1.64 1.43 0.81 -4.98 118.68 109.71 2zuf s LEU 240 Ca -0.10 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2zuf s LEU 240 Cb 0.22 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 45.15 2zuf s LEU 240 CO 0.79 0.31 -0.07 -0.47 0.23 0.00 0.00 176.35 177.14 2zuf s TYR 241 N -0.67 3.27 -0.30 0.29 5.04 -1.26 -4.13 117.35 119.58 2zuf s TYR 241 Ca 0.11 -2.15 0.03 0.00 -2.44 0.00 0.00 57.07 52.61 2zuf s TYR 241 Cb -0.10 -2.00 0.06 0.00 0.35 0.00 0.00 41.96 40.27 2zuf s TYR 241 CO -0.00 -0.85 0.89 0.41 -1.34 0.00 0.00 175.55 174.66 2zuf n GLY 242 N 4.51 1.38 0.35 8.97 0.00 -1.26 -4.68 105.19 114.46 2zuf n GLY 242 Ca -0.14 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.88 2zuf n GLY 242 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2zuf h ARG 243 N 0.57 0.59 -0.41 1.61 2.43 -1.93 -1.29 114.38 115.94 2zuf h ARG 243 Ca 0.00 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2zuf h ARG 243 Cb 0.40 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 2zuf h ARG 243 CO 0.00 0.39 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.49 2zuf h LYS 244 N 0.61 -0.05 -0.26 0.20 1.63 -2.00 0.43 116.57 117.14 2zuf h LYS 244 Ca 0.31 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 2zuf h LYS 244 Cb 0.41 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2zuf h LYS 244 CO -0.10 -0.03 0.04 1.25 -3.45 0.00 0.00 179.45 177.16 2zuf h LEU 245 N -0.05 0.41 -0.27 5.20 5.85 -1.61 -2.80 115.31 122.03 2zuf h LEU 245 Ca 0.20 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2zuf h LEU 245 Cb 0.36 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2zuf h LEU 245 CO -0.45 0.56 0.04 0.00 -0.34 0.00 0.00 178.44 178.24 2zuf h ALA 246 N 0.86 0.27 -0.91 1.25 0.00 -0.63 -1.93 119.26 118.18 2zuf h ALA 246 Ca 0.08 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2zuf h ALA 246 Cb 0.32 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2zuf h ALA 246 CO 0.00 -0.38 0.55 0.93 0.00 0.00 0.00 179.25 180.36 2zuf h GLU 247 N 0.14 0.90 -0.66 0.00 5.08 -0.13 0.14 114.58 120.03 2zuf h GLU 247 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2zuf h GLU 247 Cb 0.14 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2zuf h GLU 247 CO -0.18 0.59 0.15 0.93 -1.00 0.00 0.00 179.01 179.50 2zuf h GLU 248 N 0.92 1.07 -0.60 2.33 5.08 -1.14 -0.68 114.58 121.56 2zuf h GLU 248 Ca 0.43 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2zuf h GLU 248 Cb 0.36 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2zuf h GLU 248 CO -0.24 0.96 0.06 0.28 -1.00 0.00 0.00 179.01 179.07 2zuf h VAL 249 N 0.99 1.26 -0.61 3.13 2.07 -0.48 -2.02 116.25 120.59 2zuf h VAL 249 Ca 0.21 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 2zuf h VAL 249 Cb 0.38 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2zuf h VAL 249 CO 0.00 0.39 0.04 0.58 0.02 0.00 0.00 177.57 178.60 2zuf h VAL 250 N 0.92 1.26 0.04 2.57 2.07 -0.54 -0.45 116.25 122.12 2zuf h VAL 250 Ca 0.18 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2zuf h VAL 250 Cb 0.48 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2zuf h VAL 250 CO 0.02 0.40 -0.02 0.03 0.02 0.00 0.00 177.57 178.02 2zuf h ARG 251 N 0.95 -0.05 -0.52 1.57 2.47 -0.91 -0.28 114.38 117.62 2zuf h ARG 251 Ca 0.18 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 2zuf h ARG 251 Cb 0.50 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.80 2zuf h ARG 251 CO 0.02 0.00 0.33 0.00 0.56 0.00 0.00 179.97 180.88 2zuf h ALA 252 N 0.87 0.67 -0.82 0.04 0.00 -1.19 -1.06 119.26 117.77 2zuf h ALA 252 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2zuf h ALA 252 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2zuf h ALA 252 CO 0.01 0.05 0.47 1.96 0.00 0.00 0.00 179.25 181.74 2zuf h GLN 253 N 0.66 1.13 0.00 0.00 4.20 -0.87 -1.63 115.11 118.60 2zuf h GLN 253 Ca 0.20 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2zuf h GLN 253 Cb -0.02 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 2zuf h GLN 253 CO -0.07 0.81 -0.05 0.52 -0.67 0.00 0.00 178.83 179.37 2zuf h MET 254 N 1.14 0.00 -0.50 1.46 2.86 -0.18 -1.37 114.93 118.35 2zuf h MET 254 Ca 0.29 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 2zuf h MET 254 Cb -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2zuf h MET 254 CO -0.05 0.05 0.02 0.28 1.06 0.00 0.00 176.91 178.27 2zuf h VAL 255 N 0.00 1.26 -0.13 -2.22 2.07 -0.22 0.71 116.25 117.71 2zuf h VAL 255 Ca -0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2zuf h VAL 255 Cb 0.52 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2zuf h VAL 255 CO 0.01 0.37 0.06 0.74 0.02 0.00 0.00 177.57 178.76 2zuf h THR 256 N 0.74 1.14 -0.13 2.57 2.02 -1.18 -2.24 112.91 115.84 2zuf h THR 256 Ca 0.15 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 2zuf h THR 256 Cb 0.48 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2zuf h THR 256 CO 0.02 0.13 -0.28 0.71 0.37 0.00 0.00 175.52 176.48 2zuf h THR 257 N 0.07 1.25 -0.59 3.16 1.35 -1.03 -2.74 112.91 114.38 2zuf h THR 257 Ca 0.05 -1.18 -0.08 0.00 -0.55 0.00 0.00 66.41 64.64 2zuf h THR 257 Cb 0.16 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 2zuf h THR 257 CO -0.00 0.36 0.04 1.88 -0.25 0.00 0.00 175.52 177.54 2zuf h TYR 258 N 0.22 1.10 -0.69 4.73 0.05 -0.68 0.08 116.97 121.78 2zuf h TYR 258 Ca 0.03 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.64 2zuf h TYR 258 Cb 0.61 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 2zuf h TYR 258 CO 0.01 0.97 0.46 0.87 -1.05 0.00 0.00 178.16 179.41 2zuf h LYS 259 N 0.91 0.90 0.00 4.88 1.79 -1.12 -0.33 116.57 123.61 2zuf h LYS 259 Ca 0.17 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2zuf h LYS 259 Cb 0.50 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2zuf h LYS 259 CO 0.02 0.60 0.00 1.28 -1.08 0.00 0.00 179.45 180.27 2zuf n LEU 260 N -4.43 0.28 0.00 2.94 4.77 -1.04 -4.88 117.00 114.64 2zuf n LEU 260 Ca 0.07 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2zuf n LEU 260 Cb 0.04 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2zuf n LEU 260 CO 0.36 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2zuf n GLY 261 N 0.42 0.67 3.60 -0.72 0.00 -0.13 -5.00 105.19 104.02 2zuf n GLY 261 Ca 0.04 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2zuf n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zuf s VAL 262 N -2.00 4.74 0.16 1.61 1.01 -0.02 -5.01 120.40 120.89 2zuf s VAL 262 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.04 2zuf s VAL 262 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2zuf s VAL 262 CO 0.00 0.42 -0.23 -0.54 0.00 0.00 0.00 175.10 174.75 2zuf s LYS 263 N 0.70 1.39 0.12 2.72 1.02 -1.26 -3.89 119.74 120.53 2zuf s LYS 263 Ca 0.04 -1.41 0.10 0.00 0.02 0.00 0.00 55.97 54.72 2zuf s LYS 263 Cb -0.13 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 2zuf s LYS 263 CO 0.02 0.37 -0.26 0.71 -0.92 0.00 0.00 175.35 175.27 2zuf s TYR 264 N -1.54 2.21 -0.14 3.18 1.51 -1.26 -4.93 117.35 116.38 2zuf s TYR 264 Ca 0.16 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 2zuf s TYR 264 Cb -0.08 -1.21 -0.24 0.00 -0.11 0.00 0.00 41.96 40.32 2zuf s TYR 264 CO 0.08 0.29 0.29 -0.25 -1.11 0.00 0.00 175.55 174.84 2zuf n ASP 265 N 1.04 1.71 -3.75 2.29 8.00 -0.47 -4.50 116.55 120.88 2zuf n ASP 265 Ca -0.18 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 2zuf n ASP 265 Cb 0.53 -0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2zuf n ASP 265 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2zuf s LEU 266 N -6.65 0.69 -0.23 0.64 0.20 -0.92 -1.78 118.68 110.63 2zuf s LEU 266 Ca -0.21 0.53 -0.12 0.00 0.69 0.00 0.00 54.13 55.02 2zuf s LEU 266 Cb 0.07 0.81 -0.05 0.00 -0.43 0.00 0.00 46.19 46.60 2zuf s LEU 266 CO 0.75 -0.13 0.24 -0.76 -0.29 0.00 0.00 176.35 176.16 2zuf s LEU 267 N 0.74 4.13 -0.29 -0.68 1.43 0.16 -1.51 118.68 122.66 2zuf s LEU 267 Ca -0.05 0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2zuf s LEU 267 Cb -0.06 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.94 2zuf s LEU 267 CO -0.05 0.02 0.02 -0.69 0.23 0.00 0.00 176.35 175.88 2zuf s VAL 268 N 1.14 3.36 -0.06 -1.59 1.01 -0.12 -1.75 120.40 122.39 2zuf s VAL 268 Ca 0.11 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2zuf s VAL 268 Cb -0.14 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2zuf s VAL 268 CO 0.06 0.04 0.40 0.26 0.00 0.00 0.00 175.10 175.86 2zuf s TRP 269 N 1.37 3.62 0.16 5.22 0.52 -1.26 0.54 118.94 129.11 2zuf s TRP 269 Ca -0.01 0.88 -0.17 0.00 0.02 0.00 0.00 56.10 56.83 2zuf s TRP 269 Cb -0.18 -2.36 0.07 0.00 -1.15 0.00 0.00 33.47 29.85 2zuf s TRP 269 CO -0.01 0.44 1.72 1.49 0.02 0.00 0.00 176.95 180.62 2zuf h GLU 270 N 5.62 0.15 -0.54 4.98 4.57 -1.04 -1.86 114.58 126.47 2zuf h GLU 270 Ca -0.47 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 57.84 2zuf h GLU 270 Cb 1.20 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 2zuf h GLU 270 CO 0.68 0.10 0.37 0.66 -1.18 0.00 0.00 179.01 179.64 2zuf h SER 271 N 0.15 0.12 1.55 1.04 4.64 -1.93 0.23 113.55 119.36 2zuf h SER 271 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2zuf h SER 271 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2zuf h SER 271 CO -0.24 0.07 -0.30 0.44 -0.87 0.00 0.00 176.83 175.92 2zuf h ASP 272 N 0.13 0.00 0.27 4.97 3.32 -1.75 -2.39 116.42 120.96 2zuf h ASP 272 Ca 0.25 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.02 2zuf h ASP 272 Cb 0.84 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.40 2zuf h ASP 272 CO -0.03 0.01 -1.07 0.40 -1.72 0.00 0.00 179.24 176.83 2zuf h ILE 273 N 0.00 1.36 0.04 0.35 1.08 0.06 -2.34 117.51 118.06 2zuf h ILE 273 Ca 0.00 -2.49 -0.23 0.00 -0.39 0.00 0.00 64.86 61.75 2zuf h ILE 273 Cb 0.93 2.54 0.02 0.00 -3.07 0.00 0.00 36.82 37.24 2zuf h ILE 273 CO 0.00 0.75 -0.92 -0.37 -0.69 0.00 0.00 178.15 176.91 2zuf h VAL 274 N 0.25 1.35 -0.50 1.67 -1.51 -1.33 -1.89 116.25 114.29 2zuf h VAL 274 Ca -0.12 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 2zuf h VAL 274 Cb 1.73 2.61 -0.02 0.00 -2.13 0.00 0.00 31.29 33.48 2zuf h VAL 274 CO 0.19 0.68 0.32 0.03 -1.23 0.00 0.00 177.57 177.56 2zuf h ARG 275 N 0.12 0.66 -0.57 5.19 3.08 -1.49 -0.04 114.38 121.33 2zuf h ARG 275 Ca -0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2zuf h ARG 275 Cb 1.62 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.52 2zuf h ARG 275 CO 0.18 0.45 0.00 0.54 -1.07 0.00 0.00 179.97 180.07 2zuf n ARG 276 N -4.45 2.47 -4.09 0.04 5.12 -0.88 -4.92 116.66 109.95 2zuf n ARG 276 Ca 0.04 -1.59 -0.30 0.00 -1.93 0.00 0.00 57.85 54.07 2zuf n ARG 276 Cb 0.06 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 29.75 2zuf n ARG 276 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2zuf n LYS 277 N 0.55 -3.07 0.04 5.56 4.76 -0.03 -4.80 118.16 121.17 2zuf n LYS 277 Ca 0.14 0.37 -0.04 0.00 -2.87 0.00 0.00 58.31 55.91 2zuf n LYS 277 Cb 0.53 -4.68 0.19 0.00 -1.84 0.00 0.00 35.03 29.23 2zuf n LYS 277 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2zuf h LEU 278 N -1.70 0.43 -0.05 -0.35 6.46 -1.57 -2.71 115.31 115.81 2zuf h LEU 278 Ca -0.62 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 56.97 2zuf h LEU 278 Cb 1.38 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.19 2zuf h LEU 278 CO 0.69 0.75 -0.01 0.15 -0.62 0.00 0.00 178.44 179.41 2zuf h PHE 279 N 0.35 0.11 -0.22 1.25 3.04 -1.90 -2.14 116.94 117.44 2zuf h PHE 279 Ca 0.04 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 2zuf h PHE 279 Cb 0.78 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 2zuf h PHE 279 CO 0.02 0.40 -0.04 1.05 -2.02 0.00 0.00 178.31 177.73 2zuf h GLU 280 N -0.22 0.33 -0.44 1.11 9.09 -1.95 -1.13 114.58 121.37 2zuf h GLU 280 Ca 0.01 -0.06 -0.13 0.00 0.05 0.00 0.00 59.36 59.23 2zuf h GLU 280 Cb 0.37 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 2zuf h GLU 280 CO 0.00 0.39 -0.24 0.82 0.05 0.00 0.00 179.01 180.03 2zuf h ILE 281 N 0.32 1.27 -0.10 -1.06 2.04 -1.44 -2.36 117.51 116.18 2zuf h ILE 281 Ca 0.07 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2zuf h ILE 281 Cb 0.28 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2zuf h ILE 281 CO 0.01 0.48 0.05 0.00 0.00 0.00 0.00 178.15 178.69 2zuf h ALA 282 N 0.92 0.13 -0.83 1.87 0.00 -0.62 -2.73 119.26 118.00 2zuf h ALA 282 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2zuf h ALA 282 Cb 0.81 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2zuf h ALA 282 CO 0.07 -0.33 0.55 -0.07 0.00 0.00 0.00 179.25 179.46 2zuf h LEU 283 N 0.07 0.82 -0.74 0.00 4.07 -1.16 0.29 115.31 118.67 2zuf h LEU 283 Ca 0.04 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.10 2zuf h LEU 283 Cb 0.08 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.57 2zuf h LEU 283 CO -0.01 0.53 0.38 -0.33 -1.08 0.00 0.00 178.44 177.94 2zuf h GLU 284 N 0.94 0.61 -0.42 1.13 5.08 -1.11 0.41 114.58 121.21 2zuf h GLU 284 Ca 0.36 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 2zuf h GLU 284 Cb 0.20 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2zuf h GLU 284 CO -0.12 0.41 -0.22 1.25 -1.00 0.00 0.00 179.01 179.32 2zuf h LEU 285 N 0.63 0.92 -0.74 1.33 5.85 -0.88 -3.18 115.31 119.24 2zuf h LEU 285 Ca 0.37 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2zuf h LEU 285 Cb 0.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2zuf h LEU 285 CO -0.27 1.13 0.30 -0.07 -0.34 0.00 0.00 178.44 179.19 2zuf h LEU 286 N 0.72 1.02 -2.66 2.25 4.07 0.50 -2.87 115.31 118.33 2zuf h LEU 286 Ca 0.09 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2zuf h LEU 286 Cb 0.79 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2zuf h LEU 286 CO 0.06 0.91 -0.00 0.28 -1.08 0.00 0.00 178.44 178.61 2zuf h SER 287 N 1.06 0.00 0.39 -0.43 0.02 -0.25 -0.38 113.55 113.96 2zuf h SER 287 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2zuf h SER 287 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2zuf h SER 287 CO -0.02 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.96 2zuf n LYS 288 N -3.57 0.52 -4.41 3.45 5.02 -1.08 -4.73 118.16 113.36 2zuf n LYS 288 Ca -0.03 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 2zuf n LYS 288 Cb 0.08 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 2zuf n LYS 288 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2zuf s ASN 289 N -2.43 4.98 0.59 4.39 3.84 -0.15 -5.01 114.94 121.15 2zuf s ASN 289 Ca 0.30 -0.00 0.34 0.00 0.21 0.00 0.00 52.86 53.71 2zuf s ASN 289 Cb 0.19 -1.58 1.85 0.00 -0.55 0.00 0.00 41.25 41.16 2zuf s ASN 289 CO 0.40 0.28 2.20 1.05 -2.79 0.00 0.00 177.10 178.24 2zuf h GLU 290 N 5.91 0.00 0.00 0.43 4.11 -1.84 -2.54 114.58 120.65 2zuf h GLU 290 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2zuf h GLU 290 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2zuf h GLU 290 CO 0.59 0.04 0.00 0.09 0.07 0.00 0.00 179.01 179.80 2zuf n ASN 291 N -3.46 0.00 -4.07 3.06 3.02 -1.26 -4.66 115.26 107.89 2zuf n ASN 291 Ca -0.02 -0.63 -0.26 0.00 -0.03 0.00 0.00 54.58 53.63 2zuf n ASN 291 Cb 0.15 -0.11 -0.17 0.00 -0.61 0.00 0.00 39.78 39.05 2zuf n ASN 291 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2zuf s PHE 292 N -2.22 1.73 0.12 3.10 0.40 -0.96 -0.80 117.98 119.36 2zuf s PHE 292 Ca 0.38 -0.67 -0.26 0.00 -0.60 0.00 0.00 56.93 55.79 2zuf s PHE 292 Cb 0.20 -1.23 0.07 0.00 0.51 0.00 0.00 43.02 42.58 2zuf s PHE 292 CO 0.38 -0.31 1.02 1.52 0.70 0.00 0.00 175.22 178.53 2zuf s TYR 293 N 0.59 -0.11 -0.45 0.36 -0.85 -0.96 -4.70 117.35 111.23 2zuf s TYR 293 Ca -0.16 -0.16 -0.12 0.00 -0.52 0.00 0.00 57.07 56.12 2zuf s TYR 293 Cb -0.16 0.62 0.08 0.00 0.38 0.00 0.00 41.96 42.88 2zuf s TYR 293 CO 0.05 -0.73 0.32 0.42 -1.52 0.00 0.00 175.55 174.10 2zuf s ILE 294 N -3.13 4.64 0.46 -3.49 1.01 -1.26 -0.81 121.20 118.62 2zuf s ILE 294 Ca 0.13 -1.30 -0.22 0.00 0.00 0.00 0.00 60.65 59.26 2zuf s ILE 294 Cb -0.00 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 2zuf s ILE 294 CO 0.01 -0.56 0.72 -2.65 0.00 0.00 0.00 174.94 172.46 2zuf n PRO 295 N 5.04 0.82 0.00 2.79 -0.02 -1.22 -4.76 135.00 137.65 2zuf n PRO 295 Ca -0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2zuf n PRO 295 Cb 0.43 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2zuf n PRO 295 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2zuf n SER 296 N 0.75 0.00 -4.14 2.55 2.88 -1.26 -2.31 113.62 112.09 2zuf n SER 296 Ca 0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.28 2zuf n SER 296 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 2zuf n SER 296 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2zuf s ASP 297 N -1.00 5.37 0.00 -3.46 3.68 -1.26 -4.51 116.67 115.49 2zuf s ASP 297 Ca 0.00 -2.14 0.00 0.00 2.13 0.00 0.00 52.55 52.54 2zuf s ASP 297 Cb 0.00 -1.88 0.00 0.00 -1.45 0.00 0.00 42.92 39.59 2zuf s ASP 297 CO 0.00 -0.55 0.00 0.61 0.13 0.00 0.00 175.17 175.36 2zuf n GLY 298 N 4.49 2.38 0.18 2.66 0.00 -1.26 -5.01 105.19 108.63 2zuf n GLY 298 Ca -0.02 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.36 2zuf n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zuf h LYS 299 N 0.00 0.00 -0.56 1.61 6.56 -1.99 -3.26 116.57 118.93 2zuf h LYS 299 Ca 0.00 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.18 2zuf h LYS 299 Cb 0.00 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 31.34 2zuf h LYS 299 CO 0.00 0.39 -0.74 0.66 -2.06 0.00 0.00 179.45 177.70 2zuf n TYR 300 N -3.49 2.06 -1.60 -1.35 4.02 -1.26 -5.07 117.16 110.47 2zuf n TYR 300 Ca 0.00 -2.04 -0.45 0.00 -0.01 0.00 0.00 57.90 55.41 2zuf n TYR 300 Cb 0.53 -0.32 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 2zuf n TYR 300 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2zuf n ARG 301 N -0.81 1.43 -0.88 -0.72 1.74 -1.23 -1.61 116.66 114.58 2zuf n ARG 301 Ca 0.38 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 2zuf n ARG 301 Cb 0.90 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2zuf n ARG 301 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zuf n GLY 302 N 1.26 0.55 3.63 -0.13 0.00 -0.98 -4.81 105.19 104.72 2zuf n GLY 302 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2zuf n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zuf s ALA 303 N -2.55 3.13 -0.30 4.61 0.00 -0.63 -4.15 121.76 121.88 2zuf s ALA 303 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 2zuf s ALA 303 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2zuf s ALA 303 CO 0.00 0.60 0.86 0.12 0.00 0.00 0.00 175.76 177.34 2zuf s PHE 304 N -0.92 3.21 0.29 0.00 5.36 -0.55 -3.40 117.98 121.97 2zuf s PHE 304 Ca 0.15 0.96 0.08 0.00 -0.96 0.00 0.00 56.93 57.15 2zuf s PHE 304 Cb -0.11 -3.28 -0.06 0.00 -0.34 0.00 0.00 43.02 39.23 2zuf s PHE 304 CO 0.05 -0.58 -0.08 0.14 -1.46 0.00 0.00 175.22 173.29 2zuf s VAL 305 N 3.08 1.83 -0.17 3.12 -7.23 0.01 -0.06 120.40 120.98 2zuf s VAL 305 Ca 0.36 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2zuf s VAL 305 Cb -0.14 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2zuf s VAL 305 CO 0.12 -0.30 -0.01 -0.32 -0.31 0.00 0.00 175.10 174.28 2zuf s MET 306 N -3.68 3.71 -0.27 4.82 1.75 0.13 -2.27 119.30 123.49 2zuf s MET 306 Ca 0.30 -0.49 -0.09 0.00 -1.25 0.00 0.00 55.69 54.17 2zuf s MET 306 Cb 0.03 -3.02 -0.03 0.00 2.84 0.00 0.00 34.83 34.65 2zuf s MET 306 CO 0.13 0.18 0.11 0.34 -0.65 0.00 0.00 175.02 175.13 2zuf s ASP 307 N 0.55 5.41 0.00 1.11 -1.08 0.02 -1.16 116.67 121.52 2zuf s ASP 307 Ca -0.01 -0.26 0.23 0.00 -0.52 0.00 0.00 52.55 51.99 2zuf s ASP 307 Cb -0.14 -1.98 0.54 0.00 -1.46 0.00 0.00 42.92 39.88 2zuf s ASP 307 CO 0.02 -0.08 1.45 0.18 0.52 0.00 0.00 175.17 177.26 2zuf n LEU 308 N 4.96 2.68 -0.25 -1.34 4.77 -0.01 -4.60 117.00 123.22 2zuf n LEU 308 Ca -0.15 -1.10 0.06 0.00 -0.03 0.00 0.00 56.01 54.78 2zuf n LEU 308 Cb 0.51 -0.16 0.29 0.00 -2.33 0.00 0.00 43.42 41.74 2zuf n LEU 308 CO 0.32 0.55 1.23 0.08 -1.33 0.00 0.00 177.39 178.25 2zuf h ARG 309 N 3.61 0.87 0.00 3.23 0.11 -1.80 0.24 114.38 120.64 2zuf h ARG 309 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2zuf h ARG 309 Cb 0.79 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2zuf h ARG 309 CO 0.00 0.58 0.00 0.36 0.10 0.00 0.00 179.97 181.01 2zuf n LYS 310 N -4.49 0.05 -0.10 0.08 -0.00 -1.26 -0.63 118.16 111.81 2zuf n LYS 310 Ca 0.13 0.38 -0.16 0.00 -0.00 0.00 0.00 58.31 58.65 2zuf n LYS 310 Cb 0.23 -1.61 -0.08 0.00 -0.00 0.00 0.00 35.03 33.57 2zuf n LYS 310 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2zuf n LEU 311 N -1.70 2.41 -3.73 -5.58 4.77 -0.41 -4.79 117.00 107.97 2zuf n LEU 311 Ca 0.02 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 2zuf n LEU 311 Cb 0.13 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.46 2zuf n LEU 311 CO 0.11 0.67 -0.13 -0.36 -1.33 0.00 0.00 177.39 176.35 2zuf s PHE 312 N -2.38 2.75 0.58 -1.77 0.40 0.72 -4.97 117.98 113.31 2zuf s PHE 312 Ca -0.27 -3.00 0.27 0.00 -0.60 0.00 0.00 56.93 53.33 2zuf s PHE 312 Cb 0.08 -2.12 1.60 0.00 0.51 0.00 0.00 43.02 43.10 2zuf s PHE 312 CO 0.41 -0.64 2.10 -1.00 0.70 0.00 0.00 175.22 176.79 2zuf h PRO 313 N 5.49 0.00 0.05 0.24 0.13 -1.10 -3.22 132.00 133.59 2zuf h PRO 313 Ca 0.18 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.95 2zuf h PRO 313 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 2zuf h PRO 313 CO 0.60 0.00 -2.16 -0.25 -0.23 0.00 0.00 178.00 175.96 2zuf n ASP 314 N -3.92 1.55 -4.53 1.44 8.00 -1.26 -4.98 116.55 112.85 2zuf n ASP 314 Ca 0.02 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 2zuf n ASP 314 Cb 0.33 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2zuf n ASP 314 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2zuf n MET 315 N -3.23 0.96 -3.11 -1.24 0.00 -1.21 -4.90 117.12 104.39 2zuf n MET 315 Ca -0.34 0.34 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 2zuf n MET 315 Cb 1.05 -1.69 -0.05 0.00 0.00 0.00 0.00 33.22 32.53 2zuf n MET 315 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2zuf s LYS 316 N -1.60 4.40 -0.45 3.17 -0.14 -1.26 -4.30 119.74 119.57 2zuf s LYS 316 Ca 0.61 0.82 -0.03 0.00 -1.36 0.00 0.00 55.97 56.01 2zuf s LYS 316 Cb -0.67 -3.41 0.00 0.00 -1.68 0.00 0.00 37.83 32.08 2zuf s LYS 316 CO 0.58 0.18 0.46 -1.71 -0.76 0.00 0.00 175.35 174.11 2zuf n ASN 317 N 3.36 -6.04 -0.49 2.83 4.05 -1.26 -4.90 115.26 112.81 2zuf n ASN 317 Ca -0.04 0.08 0.02 0.00 0.45 0.00 0.00 54.58 55.10 2zuf n ASN 317 Cb 0.51 -4.00 0.08 0.00 1.23 0.00 0.00 39.78 37.60 2zuf n ASN 317 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2zuf n PRO 318 N -1.18 1.56 -3.41 1.20 -0.02 -1.26 -4.83 135.00 127.07 2zuf n PRO 318 Ca 0.03 -0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 60.49 2zuf n PRO 318 Cb 0.44 -1.34 -0.09 0.00 -0.02 0.00 0.00 33.50 32.49 2zuf n PRO 318 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2zuf s ILE 319 N -1.63 5.17 -0.21 4.25 -1.09 -1.26 -0.83 121.20 125.61 2zuf s ILE 319 Ca 0.11 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 2zuf s ILE 319 Cb 0.07 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 2zuf s ILE 319 CO 0.06 -0.02 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.95 2zuf s LEU 320 N 2.03 2.93 -0.14 2.97 1.43 -0.31 -4.94 118.68 122.65 2zuf s LEU 320 Ca 0.12 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 2zuf s LEU 320 Cb -0.16 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2zuf s LEU 320 CO 0.11 0.01 1.09 -0.69 0.23 0.00 0.00 176.35 177.10 2zuf s VAL 321 N 1.32 4.58 -0.16 -1.59 1.01 -1.26 0.21 120.40 124.51 2zuf s VAL 321 Ca 0.04 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.93 2zuf s VAL 321 Cb -0.14 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 2zuf s VAL 321 CO -0.02 -0.07 0.20 0.18 0.00 0.00 0.00 175.10 175.40 2zuf n LEU 322 N 5.62 2.05 -3.84 3.92 4.77 0.92 -4.44 117.00 126.00 2zuf n LEU 322 Ca 0.11 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 2zuf n LEU 322 Cb 0.47 -0.60 -0.17 0.00 -2.33 0.00 0.00 43.42 40.80 2zuf n LEU 322 CO 0.53 0.75 -0.39 -0.60 -1.33 0.00 0.00 177.39 176.35 2zuf s ARG 323 N -2.54 0.65 1.16 3.23 3.52 -0.65 -0.92 118.95 123.40 2zuf s ARG 323 Ca -0.21 0.00 -0.13 0.00 -0.13 0.00 0.00 55.73 55.26 2zuf s ARG 323 Cb 0.07 -0.82 0.28 0.00 -1.56 0.00 0.00 34.95 32.93 2zuf s ARG 323 CO 0.74 -0.17 1.03 1.03 -0.81 0.00 0.00 175.30 177.12 2zuf s ARG 324 N 1.30 -0.91 0.24 5.12 0.52 0.23 -1.48 118.95 123.98 2zuf s ARG 324 Ca -0.05 0.69 0.05 0.00 -0.52 0.00 0.00 55.73 55.90 2zuf s ARG 324 Cb -0.13 -1.57 0.28 0.00 0.52 0.00 0.00 34.95 34.05 2zuf s ARG 324 CO -0.02 -3.68 1.58 0.77 0.02 0.00 0.00 175.30 173.97 2zuf h SER 325 N -2.58 0.25 0.00 0.23 0.02 -1.87 -2.46 113.55 107.14 2zuf h SER 325 Ca -0.60 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2zuf h SER 325 Cb 1.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2zuf h SER 325 CO 0.51 0.78 0.00 -0.90 -1.14 0.00 0.00 176.83 176.08 2zuf n ASP 326 N -3.88 0.00 0.00 3.07 3.85 -1.26 -4.83 116.55 113.50 2zuf n ASP 326 Ca -0.02 -1.06 0.00 0.00 -0.71 0.00 0.00 54.79 53.00 2zuf n ASP 326 Cb 0.60 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 2zuf n ASP 326 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2zuf n GLY 327 N 0.27 0.65 3.87 6.12 0.00 -0.92 -5.05 105.19 110.12 2zuf n GLY 327 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2zuf n GLY 327 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zuf s THR 328 N -2.15 4.97 0.20 2.61 -4.23 -1.26 -4.82 115.64 110.96 2zuf s THR 328 Ca 0.00 0.44 -0.23 0.00 -1.18 0.00 0.00 61.69 60.72 2zuf s THR 328 Cb 0.00 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 2zuf s THR 328 CO 0.00 0.01 0.77 0.00 -0.54 0.00 0.00 174.62 174.86 2zuf s ALA 329 N -1.72 3.41 0.58 3.99 0.00 -1.26 0.77 121.76 127.53 2zuf s ALA 329 Ca 0.44 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.70 2zuf s ALA 329 Cb -0.12 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2zuf s ALA 329 CO 0.21 0.29 0.82 0.95 0.00 0.00 0.00 175.76 178.03 2zuf s THR 330 N -1.33 2.67 0.33 0.00 -4.23 -0.10 -4.87 115.64 108.11 2zuf s THR 330 Ca 0.40 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 2zuf s THR 330 Cb -0.20 -3.03 0.13 0.00 1.34 0.00 0.00 72.50 70.74 2zuf s THR 330 CO 0.24 -0.02 1.83 1.88 -0.54 0.00 0.00 174.62 178.01 2zuf h TYR 331 N -0.04 0.43 0.15 3.99 -1.99 -1.89 -2.10 116.97 115.51 2zuf h TYR 331 Ca -0.43 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.23 2zuf h TYR 331 Cb 1.30 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2zuf h TYR 331 CO 0.37 0.53 -0.07 1.15 -0.00 0.00 0.00 178.16 180.14 2zuf h THR 332 N 0.38 0.95 -0.79 -2.88 2.02 -1.88 -0.30 112.91 110.41 2zuf h THR 332 Ca 0.07 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.89 2zuf h THR 332 Cb 0.47 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 2zuf h THR 332 CO 0.03 0.10 0.47 1.23 0.37 0.00 0.00 175.52 177.72 2zuf h GLY 333 N -0.40 1.18 1.31 2.16 0.00 -1.64 -0.68 103.07 105.01 2zuf h GLY 333 Ca -0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2zuf h GLY 333 CO 0.03 0.22 -0.18 0.50 0.00 0.00 0.00 176.54 177.12 2zuf h LYS 334 N 0.86 0.80 0.20 4.80 1.57 -1.28 -1.09 116.57 122.43 2zuf h LYS 334 Ca 0.35 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2zuf h LYS 334 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2zuf h LYS 334 CO -0.18 0.92 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.08 2zuf h ASP 335 N 0.71 -0.23 -0.30 0.86 3.45 -0.26 -1.44 116.42 119.21 2zuf h ASP 335 Ca 0.11 -0.04 0.05 0.00 0.43 0.00 0.00 57.03 57.58 2zuf h ASP 335 Cb 0.68 0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.47 2zuf h ASP 335 CO 0.05 -0.11 0.03 0.40 -1.57 0.00 0.00 179.24 178.04 2zuf h ILE 336 N -0.33 0.82 -0.14 0.35 5.03 -1.05 -2.27 117.51 119.92 2zuf h ILE 336 Ca -0.03 -0.05 0.05 0.00 -0.12 0.00 0.00 64.86 64.71 2zuf h ILE 336 Cb 0.25 0.68 -0.06 0.00 -3.03 0.00 0.00 36.82 34.66 2zuf h ILE 336 CO 0.05 0.02 -0.21 0.00 -0.68 0.00 0.00 178.15 177.33 2zuf h ALA 337 N 1.24 -0.17 -0.99 1.87 0.00 -1.03 -1.11 119.26 119.08 2zuf h ALA 337 Ca 0.14 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2zuf h ALA 337 Cb 0.17 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2zuf h ALA 337 CO -0.21 -0.67 0.64 -0.92 0.00 0.00 0.00 179.25 178.08 2zuf h TYR 338 N -0.27 1.16 0.00 0.00 3.20 -0.99 -1.96 116.97 118.12 2zuf h TYR 338 Ca 0.10 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 2zuf h TYR 338 Cb 0.42 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2zuf h TYR 338 CO -0.32 0.57 -0.68 0.45 -1.64 0.00 0.00 178.16 176.54 2zuf h HIS 339 N 1.11 0.00 -0.23 -3.82 3.86 -0.98 -0.90 115.15 114.20 2zuf h HIS 339 Ca 0.44 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 2zuf h HIS 339 Cb 0.24 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2zuf h HIS 339 CO -0.00 0.68 -0.01 -0.07 0.86 0.00 0.00 177.93 179.39 2zuf h LEU 340 N 0.00 0.31 0.01 2.43 3.38 -0.45 -1.10 115.31 119.90 2zuf h LEU 340 Ca -0.01 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2zuf h LEU 340 Cb 1.29 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2zuf h LEU 340 CO 0.09 0.38 -0.70 -0.25 0.09 0.00 0.00 178.44 178.04 2zuf h TRP 341 N 0.33 0.69 -0.99 1.13 7.01 -1.08 0.52 115.95 123.55 2zuf h TRP 341 Ca 0.08 -0.38 0.06 0.00 2.11 0.00 0.00 58.89 60.76 2zuf h TRP 341 Cb 0.24 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 2zuf h TRP 341 CO 0.01 1.21 0.64 0.87 -2.79 0.00 0.00 178.44 178.38 2zuf h LYS 342 N -0.03 1.13 -0.01 2.65 1.57 -0.77 0.89 116.57 121.99 2zuf h LYS 342 Ca -0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2zuf h LYS 342 Cb 1.41 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2zuf h LYS 342 CO 0.14 0.75 0.00 1.19 -0.57 0.00 0.00 179.45 180.96 2zuf n PHE 343 N -4.49 0.01 -2.13 -1.35 3.01 -0.45 -0.12 117.46 111.94 2zuf n PHE 343 Ca 0.15 -0.01 -0.14 0.00 1.01 0.00 0.00 57.45 58.47 2zuf n PHE 343 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 2zuf n PHE 343 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zuf n GLY 344 N 1.04 0.05 0.10 1.37 0.00 0.31 -4.41 105.19 103.65 2zuf n GLY 344 Ca 0.21 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2zuf n GLY 344 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zuf h LYS 345 N 0.00 0.00 -5.11 1.61 6.56 -0.19 -3.46 116.57 115.98 2zuf h LYS 345 Ca -0.32 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 58.90 2zuf h LYS 345 Cb 1.19 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.64 2zuf h LYS 345 CO 0.40 0.00 -0.76 0.96 -2.06 0.00 0.00 179.45 177.98 2zuf s ILE 346 N -3.15 0.95 -0.32 1.86 -4.36 -1.18 -5.00 121.20 110.00 2zuf s ILE 346 Ca 0.08 -1.28 -0.15 0.00 -0.26 0.00 0.00 60.65 59.04 2zuf s ILE 346 Cb 0.12 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.83 2zuf s ILE 346 CO 0.66 -0.30 0.38 -1.81 0.24 0.00 0.00 174.94 174.12 2zuf s ASP 347 N -1.77 6.21 -0.07 4.36 1.01 -1.26 -4.74 116.67 120.41 2zuf s ASP 347 Ca -0.03 -0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.22 2zuf s ASP 347 Cb -0.09 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.64 2zuf s ASP 347 CO 0.02 -0.30 -0.12 -0.69 0.21 0.00 0.00 175.17 174.29 2zuf s VAL 348 N 2.08 1.11 -0.91 -1.27 1.01 -1.26 -5.04 120.40 116.12 2zuf s VAL 348 Ca 0.14 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2zuf s VAL 348 Cb -0.16 -1.03 0.19 0.00 0.00 0.00 0.00 36.38 35.39 2zuf s VAL 348 CO 0.11 0.35 0.95 -0.62 0.00 0.00 0.00 175.10 175.89 2zuf s ASP 349 N 0.79 6.79 0.36 3.32 3.68 -1.26 -5.03 116.67 125.31 2zuf s ASP 349 Ca -0.12 -2.59 -0.16 0.00 2.13 0.00 0.00 52.55 51.81 2zuf s ASP 349 Cb -0.15 -2.28 -0.09 0.00 -1.45 0.00 0.00 42.92 38.95 2zuf s ASP 349 CO 0.02 -0.71 0.79 -0.76 0.13 0.00 0.00 175.17 174.64 2zuf s LEU 350 N 0.89 4.00 -0.22 -1.34 1.43 -1.26 -4.97 118.68 117.21 2zuf s LEU 350 Ca 0.25 1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 54.62 2zuf s LEU 350 Cb -0.08 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2zuf s LEU 350 CO -0.09 -0.27 0.11 -0.76 0.23 0.00 0.00 176.35 175.58 2zuf s LEU 351 N -3.15 3.88 0.24 1.79 1.43 -1.26 -4.19 118.68 117.41 2zuf s LEU 351 Ca 0.56 0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.80 2zuf s LEU 351 Cb -0.10 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2zuf s LEU 351 CO 0.18 0.08 -0.20 -0.31 0.23 0.00 0.00 176.35 176.33 2zuf s TYR 352 N 0.97 2.18 0.12 0.29 2.02 0.54 0.02 117.35 123.49 2zuf s TYR 352 Ca 0.06 -0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.15 2zuf s TYR 352 Cb -0.14 -0.99 0.06 0.00 -0.40 0.00 0.00 41.96 40.49 2zuf s TYR 352 CO 0.03 0.59 0.56 -1.59 -1.57 0.00 0.00 175.55 173.58 2zuf s LYS 353 N -3.28 1.19 0.21 -0.62 -2.85 0.01 0.40 119.74 114.79 2zuf s LYS 353 Ca 0.26 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 2zuf s LYS 353 Cb -0.05 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.17 2zuf s LYS 353 CO 0.12 -0.49 1.38 -1.21 0.10 0.00 0.00 175.35 175.25 2zuf s GLU 354 N -3.34 4.33 -0.23 1.78 2.02 -1.26 -0.33 118.70 121.66 2zuf s GLU 354 Ca -0.01 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.15 2zuf s GLU 354 Cb -0.00 -3.17 -0.15 0.00 0.10 0.00 0.00 34.13 30.91 2zuf s GLU 354 CO -0.09 -0.35 -0.22 1.87 0.02 0.00 0.00 175.26 176.49 2zuf n TRP 355 N 2.72 0.00 -4.15 1.61 -0.00 0.11 -4.80 117.44 112.93 2zuf n TRP 355 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.51 2zuf n TRP 355 Cb 0.42 -0.90 -0.01 0.00 -0.00 0.00 0.00 31.31 30.82 2zuf n TRP 355 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 2zuf n ASP 356 N -3.28 1.98 0.22 5.87 8.00 -0.69 -4.95 116.55 123.69 2zuf n ASP 356 Ca -0.42 -1.47 0.14 0.00 0.71 0.00 0.00 54.79 53.74 2zuf n ASP 356 Cb 0.93 0.11 0.36 0.00 -0.02 0.00 0.00 41.12 42.50 2zuf n ASP 356 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2zuf h SER 357 N 0.28 0.00 0.00 -2.24 0.87 -2.02 -3.33 113.55 107.10 2zuf h SER 357 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2zuf h SER 357 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2zuf h SER 357 CO 0.14 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.51 2zuf n THR 358 N -2.94 0.00 -4.71 2.23 5.66 -1.26 -5.08 114.28 108.19 2zuf n THR 358 Ca 0.03 -0.26 -0.32 0.00 -3.05 0.00 0.00 64.05 60.45 2zuf n THR 358 Cb 0.44 1.21 -0.12 0.00 -1.55 0.00 0.00 70.33 70.30 2zuf n THR 358 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2zuf s THR 359 N -0.29 3.06 0.29 1.09 2.01 -1.25 -4.85 115.64 115.69 2zuf s THR 359 Ca 0.00 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2zuf s THR 359 Cb 0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 2zuf s THR 359 CO 0.00 0.44 0.21 0.26 -0.69 0.00 0.00 174.62 174.84 2zuf s TRP 360 N -0.87 2.95 0.03 4.92 0.52 -0.73 0.06 118.94 125.81 2zuf s TRP 360 Ca 0.14 -0.22 -0.10 0.00 0.02 0.00 0.00 56.10 55.94 2zuf s TRP 360 Cb -0.11 -1.56 0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2zuf s TRP 360 CO 0.04 0.38 0.20 -0.08 0.02 0.00 0.00 176.95 177.51 2zuf s THR 361 N -2.25 0.10 0.40 2.01 -1.32 0.55 -0.66 115.64 114.46 2zuf s THR 361 Ca 0.36 -0.81 -0.21 0.00 -1.21 0.00 0.00 61.69 59.83 2zuf s THR 361 Cb -0.06 -0.79 -0.11 0.00 -1.51 0.00 0.00 72.50 70.03 2zuf s THR 361 CO 0.25 -0.45 0.92 0.42 -2.21 0.00 0.00 174.62 173.55 2zuf s THR 362 N -2.20 4.40 -0.20 5.08 -4.23 -0.72 -0.81 115.64 116.95 2zuf s THR 362 Ca -0.08 1.47 -0.28 0.00 -1.18 0.00 0.00 61.69 61.62 2zuf s THR 362 Cb -0.03 -3.67 0.12 0.00 1.34 0.00 0.00 72.50 70.26 2zuf s THR 362 CO -0.02 -0.22 0.98 0.00 -0.54 0.00 0.00 174.62 174.81 2zuf s ALA 363 N -2.06 -1.93 0.39 3.99 0.00 0.10 -4.74 121.76 117.52 2zuf s ALA 363 Ca 0.59 1.68 0.12 0.00 0.00 0.00 0.00 51.96 54.35 2zuf s ALA 363 Cb -0.11 -0.93 0.93 0.00 0.00 0.00 0.00 23.12 23.01 2zuf s ALA 363 CO 0.15 -0.29 1.91 -1.35 0.00 0.00 0.00 175.76 176.19 2zuf h PRO 364 N 3.27 0.54 -0.58 0.00 0.11 -1.97 -0.45 132.00 132.91 2zuf h PRO 364 Ca -0.23 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 2zuf h PRO 364 Cb 1.17 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2zuf h PRO 364 CO 0.24 0.35 0.06 -0.40 -0.21 0.00 0.00 178.00 178.04 2zuf n ASP 365 N -4.50 5.37 -3.61 -2.05 3.85 -1.26 -4.98 116.55 109.37 2zuf n ASP 365 Ca 0.14 -3.02 -0.22 0.00 -0.71 0.00 0.00 54.79 50.99 2zuf n ASP 365 Cb 0.45 -0.69 0.15 0.00 -1.35 0.00 0.00 41.12 39.68 2zuf n ASP 365 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2zuf n GLY 366 N 0.33 -0.95 3.45 6.12 0.00 -0.18 -4.96 105.19 108.99 2zuf n GLY 366 Ca 0.30 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 2zuf n GLY 366 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zuf s LYS 367 N -5.12 1.61 0.05 1.61 -2.85 0.16 -4.56 119.74 110.65 2zuf s LYS 367 Ca 0.58 -1.57 -0.31 0.00 -1.00 0.00 0.00 55.97 53.67 2zuf s LYS 367 Cb -0.02 -1.85 -0.06 0.00 -2.06 0.00 0.00 37.83 33.84 2zuf s LYS 367 CO 0.40 0.38 1.35 0.45 0.10 0.00 0.00 175.35 178.03 2zuf s SER 368 N -2.92 6.90 -0.52 0.03 0.15 -1.26 -0.34 113.70 115.73 2zuf s SER 368 Ca 0.24 2.16 0.07 0.00 0.70 0.00 0.00 55.95 59.12 2zuf s SER 368 Cb -0.07 -2.57 0.25 0.00 -1.71 0.00 0.00 66.02 61.91 2zuf s SER 368 CO 0.12 -0.64 0.64 0.23 1.20 0.00 0.00 173.24 174.79 2zuf n MET 369 N 4.52 1.65 -1.63 5.44 0.00 -1.26 -4.96 117.12 120.88 2zuf n MET 369 Ca 0.12 -3.97 -0.53 0.00 0.00 0.00 0.00 57.70 53.32 2zuf n MET 369 Cb 0.44 -1.75 -0.06 0.00 0.00 0.00 0.00 33.22 31.84 2zuf n MET 369 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2zuf n PRO 370 N 1.12 1.29 -1.41 0.03 -0.02 -1.26 -2.32 135.00 132.42 2zuf n PRO 370 Ca 0.26 0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 62.06 2zuf n PRO 370 Cb 0.47 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 2zuf n PRO 370 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2zuf n ASN 371 N 3.42 -4.99 0.02 2.55 3.02 -1.26 -4.87 115.26 113.15 2zuf n ASN 371 Ca 0.20 0.35 -0.18 0.00 -0.03 0.00 0.00 54.58 54.92 2zuf n ASN 371 Cb 0.19 -3.75 -0.14 0.00 -0.61 0.00 0.00 39.78 35.47 2zuf n ASN 371 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2zuf h LYS 372 N 0.03 0.24 -5.43 3.52 3.64 -1.92 -3.48 116.57 113.17 2zuf h LYS 372 Ca -0.29 -0.40 -0.57 0.00 -1.27 0.00 0.00 60.65 58.12 2zuf h LYS 372 Cb 1.02 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 2zuf h LYS 372 CO 0.43 1.08 -0.59 -0.06 -2.27 0.00 0.00 179.45 178.04 2zuf s PHE 373 N -2.58 2.22 0.00 1.91 0.40 -1.26 -5.07 117.98 113.60 2zuf s PHE 373 Ca -0.15 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2zuf s PHE 373 Cb 0.07 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 42.05 2zuf s PHE 373 CO 0.81 0.23 0.00 0.41 0.70 0.00 0.00 175.22 177.37 2zuf n GLY 374 N -0.88 -0.51 3.58 4.36 0.00 -1.26 -4.98 105.19 105.50 2zuf n GLY 374 Ca -0.05 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 2zuf n GLY 374 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2zuf n ASN 375 N -0.60 -3.97 -4.89 1.61 3.02 -1.12 -4.96 115.26 104.35 2zuf n ASN 375 Ca 0.00 -0.86 -0.31 0.00 -0.03 0.00 0.00 54.58 53.38 2zuf n ASN 375 Cb 0.00 -4.13 -0.05 0.00 -0.61 0.00 0.00 39.78 34.99 2zuf n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2zuf s ALA 376 N -3.53 3.74 -0.08 5.41 0.00 0.83 -4.85 121.76 123.29 2zuf s ALA 376 Ca 0.28 -0.50 0.10 0.00 0.00 0.00 0.00 51.96 51.84 2zuf s ALA 376 Cb -0.07 -2.20 -0.24 0.00 0.00 0.00 0.00 23.12 20.61 2zuf s ALA 376 CO 0.81 0.62 0.52 0.09 0.00 0.00 0.00 175.76 177.80 2zuf n ASN 377 N -0.02 0.97 -4.07 0.00 3.02 0.18 -4.49 115.26 110.85 2zuf n ASN 377 Ca -0.02 0.32 -0.20 0.00 -0.03 0.00 0.00 54.58 54.66 2zuf n ASN 377 Cb 0.52 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.49 2zuf n ASN 377 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2zuf s ILE 378 N -2.58 0.89 -0.09 2.41 1.01 -0.80 -4.77 121.20 117.27 2zuf s ILE 378 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2zuf s ILE 378 Cb 0.08 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.80 2zuf s ILE 378 CO 0.81 0.18 -0.07 -0.69 0.00 0.00 0.00 174.94 175.18 2zuf s VAL 379 N -0.39 0.85 -0.17 2.92 1.01 -0.67 -1.38 120.40 122.57 2zuf s VAL 379 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2zuf s VAL 379 Cb -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2zuf s VAL 379 CO -0.00 0.32 -0.18 -0.63 0.00 0.00 0.00 175.10 174.61 2zuf s ILE 380 N 1.44 2.32 -0.16 2.22 1.01 -0.53 -0.61 121.20 126.89 2zuf s ILE 380 Ca -0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2zuf s ILE 380 Cb -0.13 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 2zuf s ILE 380 CO -0.04 0.52 -0.01 0.20 0.00 0.00 0.00 174.94 175.61 2zuf s ASN 381 N 1.13 5.02 -0.43 3.58 0.01 0.18 -1.52 114.94 122.91 2zuf s ASN 381 Ca 0.01 -0.07 -0.13 0.00 -0.71 0.00 0.00 52.86 51.96 2zuf s ASN 381 Cb -0.14 -1.82 0.05 0.00 0.41 0.00 0.00 41.25 39.75 2zuf s ASN 381 CO -0.07 0.18 0.31 -0.69 -1.51 0.00 0.00 177.10 175.31 2zuf s VAL 382 N 0.32 4.88 0.06 1.60 1.01 -0.54 0.58 120.40 128.31 2zuf s VAL 382 Ca -0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 2zuf s VAL 382 Cb -0.14 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2zuf s VAL 382 CO 0.02 -0.44 0.02 -0.63 0.00 0.00 0.00 175.10 174.07 2zuf s ILE 383 N 1.58 0.20 0.58 2.22 1.01 -1.02 -4.58 121.20 121.20 2zuf s ILE 383 Ca 0.04 -1.69 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 2zuf s ILE 383 Cb -0.22 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2zuf s ILE 383 CO 0.06 -0.90 1.24 -0.83 0.00 0.00 0.00 174.94 174.51 2zuf s GLY 384 N -2.92 2.79 0.62 6.18 0.00 -1.26 -2.61 107.32 110.12 2zuf s GLY 384 Ca 0.08 1.09 0.31 0.00 0.00 0.00 0.00 44.72 46.20 2zuf s GLY 384 CO -0.10 1.51 2.06 0.00 0.00 0.00 0.00 173.10 176.58 2zuf h ALA 385 N 1.01 1.61 0.00 3.20 0.00 -1.39 -0.64 119.26 123.05 2zuf h ALA 385 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2zuf h ALA 385 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2zuf h ALA 385 CO 0.55 -0.32 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 2zuf n GLU 386 N -3.43 0.62 -0.85 0.00 0.00 -1.26 -2.95 120.64 112.76 2zuf n GLU 386 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.22 2zuf n GLU 386 Cb 0.35 -1.27 0.16 0.00 0.00 0.00 0.00 31.44 30.68 2zuf n GLU 386 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2zuf n GLN 387 N -0.77 1.19 -0.03 3.44 6.02 -0.25 -4.79 117.38 122.19 2zuf n GLN 387 Ca 0.08 -2.97 -0.04 0.00 -0.01 0.00 0.00 57.00 54.06 2zuf n GLN 387 Cb 0.04 -1.20 0.18 0.00 1.02 0.00 0.00 30.24 30.28 2zuf n GLN 387 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2zuf h LYS 388 N 1.01 0.61 -0.32 -1.09 1.57 -1.72 -3.01 116.57 113.61 2zuf h LYS 388 Ca -0.06 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2zuf h LYS 388 Cb 1.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2zuf h LYS 388 CO 0.03 0.75 0.11 0.45 -0.57 0.00 0.00 179.45 180.22 2zuf h HIS 389 N 0.55 0.52 -0.39 -1.35 3.86 -1.88 -0.93 115.15 115.53 2zuf h HIS 389 Ca 0.09 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2zuf h HIS 389 Cb 0.59 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 2zuf h HIS 389 CO 0.02 0.51 0.10 -1.35 0.86 0.00 0.00 177.93 178.08 2zuf h PRO 390 N 0.37 0.56 -0.36 2.45 0.11 -1.92 0.20 132.00 133.42 2zuf h PRO 390 Ca 0.11 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 2zuf h PRO 390 Cb 0.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2zuf h PRO 390 CO -0.00 0.51 0.01 1.96 -0.21 0.00 0.00 178.00 180.27 2zuf h GLN 391 N 0.55 0.62 -0.64 1.05 1.08 -1.37 -2.70 115.11 113.71 2zuf h GLN 391 Ca 0.13 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2zuf h GLN 391 Cb 0.20 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 2zuf h GLN 391 CO -0.01 0.72 0.31 -0.07 -0.95 0.00 0.00 178.83 178.84 2zuf h LEU 392 N 0.44 0.82 -0.86 1.46 3.38 -0.63 -2.07 115.31 117.86 2zuf h LEU 392 Ca 0.10 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2zuf h LEU 392 Cb 0.43 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2zuf h LEU 392 CO 0.02 0.69 0.54 0.00 0.09 0.00 0.00 178.44 179.78 2zuf h ALA 393 N 1.44 1.17 -0.28 1.53 0.00 -0.66 0.26 119.26 122.71 2zuf h ALA 393 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2zuf h ALA 393 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2zuf h ALA 393 CO -0.03 0.32 0.06 0.82 0.00 0.00 0.00 179.25 180.42 2zuf h ILE 394 N 1.01 1.22 -0.40 0.00 2.04 -1.12 -0.88 117.51 119.37 2zuf h ILE 394 Ca 0.37 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.52 2zuf h ILE 394 Cb 0.12 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2zuf h ILE 394 CO -0.16 0.24 0.24 0.50 0.00 0.00 0.00 178.15 178.97 2zuf h LYS 395 N 0.28 0.48 -0.65 2.37 3.64 -0.69 -1.63 116.57 120.37 2zuf h LYS 395 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2zuf h LYS 395 Cb 0.29 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2zuf h LYS 395 CO 0.00 0.32 0.41 1.88 -2.27 0.00 0.00 179.45 179.79 2zuf h TYR 396 N 0.49 0.84 -0.17 1.91 0.05 -0.34 -1.96 116.97 117.79 2zuf h TYR 396 Ca 0.16 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.97 2zuf h TYR 396 Cb -0.00 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2zuf h TYR 396 CO -0.07 0.56 0.01 0.00 -1.05 0.00 0.00 178.16 177.61 2zuf h ALA 397 N 1.22 0.16 -0.88 3.88 0.00 -0.70 0.97 119.26 123.90 2zuf h ALA 397 Ca 0.23 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.31 2zuf h ALA 397 Cb -0.05 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2zuf h ALA 397 CO -0.05 -0.43 0.50 -0.07 0.00 0.00 0.00 179.25 179.21 2zuf h LEU 398 N 0.08 0.68 -0.43 0.00 4.07 -0.98 -1.48 115.31 117.26 2zuf h LEU 398 Ca 0.08 0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 2zuf h LEU 398 Cb 0.09 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2zuf h LEU 398 CO -0.12 0.34 -0.53 1.56 -1.08 0.00 0.00 178.44 178.61 2zuf h GLN 399 N 0.77 0.72 -0.35 1.13 4.20 -0.55 -0.95 115.11 120.08 2zuf h GLN 399 Ca 0.45 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.74 2zuf h GLN 399 Cb 0.53 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2zuf h GLN 399 CO -0.30 1.07 0.18 -0.07 -0.67 0.00 0.00 178.83 179.03 2zuf h LEU 400 N 0.56 0.26 0.00 1.46 3.38 -0.00 -3.39 115.31 117.58 2zuf h LEU 400 Ca 0.02 0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 2zuf h LEU 400 Cb 1.10 -0.04 0.18 0.00 0.09 0.00 0.00 40.66 41.99 2zuf h LEU 400 CO 0.11 0.19 0.13 0.18 0.09 0.00 0.00 178.44 179.15 2zuf n LEU 401 N -4.94 0.00 -2.00 1.67 7.99 -0.64 -4.86 117.00 114.22 2zuf n LEU 401 Ca 0.00 -1.08 -0.22 0.00 -0.01 0.00 0.00 56.01 54.71 2zuf n LEU 401 Cb 0.08 -0.91 0.07 0.00 -0.11 0.00 0.00 43.42 42.55 2zuf n LEU 401 CO 0.31 -1.99 1.24 0.61 -1.51 0.00 0.00 177.39 176.05 2zuf n GLY 402 N -3.95 4.50 2.67 -0.72 0.00 -1.26 -4.68 105.19 101.75 2zuf n GLY 402 Ca 0.14 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 2zuf n GLY 402 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2zuf n PHE 403 N -0.28 2.59 0.25 1.61 0.99 -0.37 -4.74 117.46 117.51 2zuf n PHE 403 Ca 0.42 -2.42 0.09 0.00 -0.00 0.00 0.00 57.45 55.55 2zuf n PHE 403 Cb 0.80 -1.34 0.63 0.00 -1.00 0.00 0.00 39.48 38.57 2zuf n PHE 403 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2zuf h GLU 404 N 3.68 0.00 -0.18 -1.08 3.07 -1.84 -0.85 114.58 117.39 2zuf h GLU 404 Ca 0.55 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 2zuf h GLU 404 Cb 0.29 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2zuf h GLU 404 CO 1.26 0.15 -0.71 0.38 -1.40 0.00 0.00 179.01 178.68 2zuf h ASP 405 N 0.00 0.88 -0.23 1.42 2.03 -1.94 -1.06 116.42 117.52 2zuf h ASP 405 Ca -0.00 -0.55 -0.03 0.00 -0.73 0.00 0.00 57.03 55.71 2zuf h ASP 405 Cb 0.32 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 2zuf h ASP 405 CO 0.02 1.34 0.01 0.00 -1.03 0.00 0.00 179.24 179.58 2zuf h ALA 406 N 0.65 0.31 -0.96 4.15 0.00 -1.76 -2.09 119.26 119.56 2zuf h ALA 406 Ca -0.03 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2zuf h ALA 406 Cb 1.33 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2zuf h ALA 406 CO 0.15 0.02 0.63 0.00 0.00 0.00 0.00 179.25 180.04 2zuf h ALA 407 N 0.82 1.40 0.00 0.00 0.00 -1.15 -0.48 119.26 119.84 2zuf h ALA 407 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2zuf h ALA 407 Cb 0.38 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2zuf h ALA 407 CO 0.01 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.76 2zuf h ALA 408 N 1.45 1.00 -0.61 0.00 0.00 -1.00 -2.85 119.26 117.25 2zuf h ALA 408 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2zuf h ALA 408 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2zuf h ALA 408 CO -0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.21 2zuf n ASN 409 N -3.09 5.27 -4.38 0.00 3.02 -0.23 -4.84 115.26 111.00 2zuf n ASN 409 Ca 0.01 -2.71 -0.39 0.00 -0.03 0.00 0.00 54.58 51.47 2zuf n ASN 409 Cb 0.37 -0.63 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 2zuf n ASN 409 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2zuf s LEU 410 N -2.33 4.30 0.15 3.41 2.96 -0.97 -1.67 118.68 124.52 2zuf s LEU 410 Ca 0.53 -0.80 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2zuf s LEU 410 Cb 0.38 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2zuf s LEU 410 CO 0.20 -0.28 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.54 2zuf s TYR 411 N 1.54 2.66 -0.20 5.38 1.51 0.22 -5.01 117.35 123.46 2zuf s TYR 411 Ca 0.02 -0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2zuf s TYR 411 Cb -0.18 -1.34 0.06 0.00 -0.11 0.00 0.00 41.96 40.39 2zuf s TYR 411 CO 0.05 0.48 0.03 -1.58 -1.11 0.00 0.00 175.55 173.41 2zuf s HIS 412 N -1.51 1.15 -0.69 2.71 2.46 -1.26 -0.65 115.29 117.50 2zuf s HIS 412 Ca 0.23 -0.94 -0.23 0.00 0.47 0.00 0.00 55.06 54.59 2zuf s HIS 412 Cb -0.10 -1.08 0.06 0.00 -0.13 0.00 0.00 32.58 31.34 2zuf s HIS 412 CO 0.14 -0.62 1.05 -1.17 -2.47 0.00 0.00 174.74 171.66 2zuf s LEU 413 N 1.82 4.14 0.20 8.88 0.20 0.19 -4.94 118.68 129.17 2zuf s LEU 413 Ca -0.01 -0.93 -0.18 0.00 0.69 0.00 0.00 54.13 53.70 2zuf s LEU 413 Cb -0.17 -2.45 -0.08 0.00 -0.43 0.00 0.00 46.19 43.06 2zuf s LEU 413 CO -0.08 -1.51 0.67 0.00 -0.29 0.00 0.00 176.35 175.13 2zuf s ALA 414 N 4.38 3.47 0.01 5.97 0.00 -1.26 -2.43 121.76 131.90 2zuf s ALA 414 Ca 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 2zuf s ALA 414 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2zuf s ALA 414 CO 0.10 0.37 0.01 1.52 0.00 0.00 0.00 175.76 177.76 2zuf s TYR 415 N -1.52 0.13 0.63 0.00 -0.85 -1.07 -4.48 117.35 110.18 2zuf s TYR 415 Ca 0.42 -0.26 -0.08 0.00 -0.52 0.00 0.00 57.07 56.62 2zuf s TYR 415 Cb -0.16 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.08 2zuf s TYR 415 CO 0.20 -0.14 0.98 -1.21 -1.52 0.00 0.00 175.55 173.86 2zuf s GLU 416 N -0.93 3.00 0.81 -3.49 0.41 0.37 -1.00 118.70 117.87 2zuf s GLU 416 Ca -0.10 0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.59 2zuf s GLU 416 Cb -0.06 -2.17 0.08 0.00 -1.78 0.00 0.00 34.13 30.19 2zuf s GLU 416 CO -0.00 -0.78 1.10 -1.01 -0.49 0.00 0.00 175.26 174.07 2zuf s HIS 417 N -3.13 2.77 -0.23 1.61 3.76 -1.26 -4.78 115.29 114.03 2zuf s HIS 417 Ca 0.55 1.17 -0.09 0.00 -0.15 0.00 0.00 55.06 56.54 2zuf s HIS 417 Cb -0.11 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 2zuf s HIS 417 CO 0.48 -1.84 0.12 0.08 -0.85 0.00 0.00 174.74 172.73 2zuf s VAL 418 N -3.13 5.06 0.24 -0.90 1.01 -1.26 -1.86 120.40 119.56 2zuf s VAL 418 Ca 0.61 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2zuf s VAL 418 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2zuf s VAL 418 CO 0.55 0.37 0.08 -0.62 0.00 0.00 0.00 175.10 175.48 2zuf n GLU 419 N 4.22 0.76 -4.20 2.72 1.02 0.80 -4.54 120.64 121.42 2zuf n GLU 419 Ca -0.16 -1.98 -0.23 0.00 -0.02 0.00 0.00 57.16 54.77 2zuf n GLU 419 Cb 0.52 1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 32.93 2zuf n GLU 419 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2zuf s ARG 420 N -2.90 2.30 0.39 3.49 1.81 0.35 0.66 118.95 125.06 2zuf s ARG 420 Ca 0.11 -1.54 0.12 0.00 -1.72 0.00 0.00 55.73 52.70 2zuf s ARG 420 Cb 0.01 -2.13 0.92 0.00 -0.45 0.00 0.00 34.95 33.30 2zuf s ARG 420 CO 0.08 0.19 1.91 -1.35 -0.68 0.00 0.00 175.30 175.46 2zuf h PRO 421 N 1.69 0.54 -0.34 3.54 0.11 -1.91 -0.80 132.00 134.83 2zuf h PRO 421 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2zuf h PRO 421 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2zuf h PRO 421 CO 0.63 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 2zuf n GLU 422 N -4.50 1.56 0.00 1.05 0.28 -1.26 -5.01 120.64 112.75 2zuf n GLU 422 Ca 0.14 -0.70 0.00 0.00 -0.16 0.00 0.00 57.16 56.44 2zuf n GLU 422 Cb 0.45 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.05 2zuf n GLU 422 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2zuf n GLY 423 N 0.66 0.86 3.75 -1.84 0.00 -0.31 -5.09 105.19 103.22 2zuf n GLY 423 Ca 0.06 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 2zuf n GLY 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zuf s LYS 424 N -0.95 0.63 0.22 1.61 1.02 -1.26 -0.50 119.74 120.51 2zuf s LYS 424 Ca 0.00 0.25 -0.27 0.00 0.02 0.00 0.00 55.97 55.97 2zuf s LYS 424 Cb 0.00 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 2zuf s LYS 424 CO 0.00 -2.53 0.85 -0.06 -0.92 0.00 0.00 175.35 172.69 2zuf s PHE 425 N -3.21 3.89 -0.16 3.18 2.99 -1.26 -4.79 117.98 118.61 2zuf s PHE 425 Ca 0.66 1.74 0.01 0.00 0.00 0.00 0.00 56.93 59.33 2zuf s PHE 425 Cb -0.14 -2.85 0.02 0.00 0.00 0.00 0.00 43.02 40.04 2zuf s PHE 425 CO 0.55 0.45 -0.17 0.45 -0.00 0.00 0.00 175.22 176.49 2zuf s SER 426 N -1.25 2.92 0.18 1.36 0.15 -1.26 -4.96 113.70 110.84 2zuf s SER 426 Ca 0.40 -0.57 -0.09 0.00 0.70 0.00 0.00 55.95 56.38 2zuf s SER 426 Cb -0.23 -1.34 0.08 0.00 -1.71 0.00 0.00 66.02 62.82 2zuf s SER 426 CO 0.28 -0.03 1.67 1.23 1.20 0.00 0.00 173.24 177.59 2zuf h GLY 427 N 7.99 1.16 1.08 9.45 0.00 -1.97 0.55 103.07 121.33 2zuf h GLY 427 Ca -0.42 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.03 2zuf h GLY 427 CO 0.59 0.73 0.04 3.21 0.00 0.00 0.00 176.54 181.10 2zuf h ARG 428 N 0.99 1.08 -0.00 4.80 3.08 -1.94 -2.95 114.38 119.45 2zuf h ARG 428 Ca 0.19 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2zuf h ARG 428 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2zuf h ARG 428 CO 0.02 1.04 -0.54 1.63 -1.07 0.00 0.00 179.97 181.04 2zuf n LYS 429 N -4.20 0.11 -2.75 0.04 5.02 -1.16 -4.71 118.16 110.51 2zuf n LYS 429 Ca 0.03 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 2zuf n LYS 429 Cb 0.33 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 2zuf n LYS 429 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2zuf n GLY 430 N 1.48 -0.26 0.00 0.72 0.00 0.19 -4.90 105.19 102.42 2zuf n GLY 430 Ca 0.06 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2zuf n GLY 430 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2zuf n THR 431 N -4.20 0.02 1.28 2.61 -2.24 -0.97 -2.70 114.28 108.09 2zuf n THR 431 Ca -0.11 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.82 2zuf n THR 431 Cb 0.60 -0.59 0.66 0.00 -2.10 0.00 0.00 70.33 68.90 2zuf n THR 431 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2zuf n TRP 432 N -1.04 0.00 -1.73 4.78 4.27 -1.26 -4.80 117.44 117.66 2zuf n TRP 432 Ca 0.19 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.38 2zuf n TRP 432 Cb 0.11 -0.32 -0.03 0.00 -1.36 0.00 0.00 31.31 29.70 2zuf n TRP 432 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2zuf s VAL 433 N -2.70 3.12 0.00 -1.67 1.01 -1.10 -0.76 120.40 118.31 2zuf s VAL 433 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2zuf s VAL 433 Cb 0.20 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2zuf s VAL 433 CO 0.50 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2zuf n GLY 434 N 4.49 0.65 0.31 4.51 0.00 -1.26 -4.91 105.19 108.98 2zuf n GLY 434 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 2zuf n GLY 434 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2zuf n PHE 435 N -2.03 0.00 -1.88 1.61 3.01 0.06 -4.79 117.46 113.45 2zuf n PHE 435 Ca 0.00 -0.61 -0.32 0.00 1.01 0.00 0.00 57.45 57.53 2zuf n PHE 435 Cb 0.00 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.38 2zuf n PHE 435 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2zuf s THR 436 N -1.66 3.67 0.20 4.37 -4.23 -1.22 -3.72 115.64 113.05 2zuf s THR 436 Ca 0.20 0.74 -0.10 0.00 -1.18 0.00 0.00 61.69 61.35 2zuf s THR 436 Cb 0.17 -3.29 0.13 0.00 1.34 0.00 0.00 72.50 70.85 2zuf s THR 436 CO 0.01 -0.51 1.79 0.58 -0.54 0.00 0.00 174.62 175.95 2zuf h VAL 437 N 0.12 0.93 -0.88 2.29 2.07 -1.46 0.50 116.25 119.82 2zuf h VAL 437 Ca -0.46 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 66.97 2zuf h VAL 437 Cb 1.23 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 2zuf h VAL 437 CO 0.56 0.11 0.51 0.44 0.02 0.00 0.00 177.57 179.21 2zuf h ASP 438 N 0.60 0.71 -0.14 0.57 3.45 -1.92 0.20 116.42 119.89 2zuf h ASP 438 Ca 0.28 0.06 -0.23 0.00 0.43 0.00 0.00 57.03 57.58 2zuf h ASP 438 Cb 0.21 -0.08 0.01 0.00 -0.56 0.00 0.00 39.33 38.91 2zuf h ASP 438 CO -0.20 0.38 -0.80 -0.33 -1.57 0.00 0.00 179.24 176.72 2zuf h GLU 439 N 0.81 0.79 -0.44 3.56 5.08 -1.66 -2.44 114.58 120.28 2zuf h GLU 439 Ca 0.44 -0.66 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2zuf h GLU 439 Cb 0.47 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2zuf h GLU 439 CO -0.28 1.26 -0.02 0.28 -1.00 0.00 0.00 179.01 179.26 2zuf h VAL 440 N 0.54 1.23 -0.24 3.13 2.07 -0.06 -2.24 116.25 120.68 2zuf h VAL 440 Ca -0.06 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2zuf h VAL 440 Cb 1.43 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2zuf h VAL 440 CO 0.16 0.34 0.11 0.40 0.02 0.00 0.00 177.57 178.60 2zuf h ILE 441 N 0.67 1.16 -0.35 4.57 2.04 -0.57 -1.52 117.51 123.51 2zuf h ILE 441 Ca 0.13 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2zuf h ILE 441 Cb 0.44 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2zuf h ILE 441 CO 0.02 0.16 -0.08 0.06 0.00 0.00 0.00 178.15 178.30 2zuf h GLN 442 N 0.25 0.59 -0.11 2.37 3.07 -1.23 -1.84 115.11 118.21 2zuf h GLN 442 Ca 0.08 -0.17 -0.14 0.00 0.09 0.00 0.00 58.65 58.51 2zuf h GLN 442 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 2zuf h GLN 442 CO -0.01 0.68 -0.54 1.49 0.09 0.00 0.00 178.83 180.53 2zuf h GLU 443 N 0.55 0.31 0.07 0.06 4.57 -1.25 -2.19 114.58 116.71 2zuf h GLU 443 Ca 0.10 -0.19 -0.25 0.00 -1.18 0.00 0.00 59.36 57.84 2zuf h GLU 443 Cb 0.48 0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2zuf h GLU 443 CO 0.03 0.78 -1.01 0.00 -1.18 0.00 0.00 179.01 177.62 2zuf h ALA 444 N 1.18 0.02 -0.18 2.92 0.00 -1.06 -2.68 119.26 119.47 2zuf h ALA 444 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 2zuf h ALA 444 Cb 1.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2zuf h ALA 444 CO 0.09 0.57 -0.44 0.28 0.00 0.00 0.00 179.25 179.75 2zuf h VAL 445 N 0.13 1.31 -0.50 0.00 2.07 -1.38 -1.42 116.25 116.46 2zuf h VAL 445 Ca -0.15 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 65.67 2zuf h VAL 445 Cb 1.71 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2zuf h VAL 445 CO 0.20 0.50 -0.01 0.50 0.02 0.00 0.00 177.57 178.77 2zuf h LYS 446 N 0.35 0.86 -0.02 1.57 3.64 -1.45 0.11 116.57 121.63 2zuf h LYS 446 Ca 0.03 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 2zuf h LYS 446 Cb 0.92 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2zuf h LYS 446 CO 0.08 0.87 -0.02 -0.09 -2.27 0.00 0.00 179.45 178.02 2zuf h ARG 447 N 0.79 0.04 -0.38 1.90 9.65 -1.20 -1.13 114.38 124.06 2zuf h ARG 447 Ca 0.15 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2zuf h ARG 447 Cb 0.50 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 2zuf h ARG 447 CO 0.02 0.51 0.25 0.00 2.80 0.00 0.00 179.97 183.56 2zuf h ALA 448 N 0.53 1.87 -0.09 2.80 0.00 -1.16 0.29 119.26 123.51 2zuf h ALA 448 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2zuf h ALA 448 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2zuf h ALA 448 CO 0.00 0.08 0.03 -0.09 0.00 0.00 0.00 179.25 179.27 2zuf h ARG 449 N 0.39 0.13 -0.44 0.00 1.12 -0.52 -0.29 114.38 114.78 2zuf h ARG 449 Ca 0.15 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.96 2zuf h ARG 449 Cb 0.14 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 2zuf h ARG 449 CO -0.04 0.28 0.12 0.93 -3.11 0.00 0.00 179.97 178.16 2zuf h GLU 450 N -0.04 0.65 -0.10 0.20 4.39 -0.19 -2.62 114.58 116.87 2zuf h GLU 450 Ca 0.03 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2zuf h GLU 450 Cb 0.20 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2zuf h GLU 450 CO -0.00 0.58 0.03 1.25 -1.16 0.00 0.00 179.01 179.71 2zuf h LEU 451 N 0.63 0.15 -1.42 1.33 5.85 -0.55 -2.46 115.31 118.84 2zuf h LEU 451 Ca 0.15 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2zuf h LEU 451 Cb 0.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2zuf h LEU 451 CO -0.01 0.33 0.17 -0.29 -0.34 0.00 0.00 178.44 178.30 2zuf h ILE 452 N -0.03 1.15 -0.31 4.05 6.09 -0.86 -0.05 117.51 127.55 2zuf h ILE 452 Ca 0.03 -0.45 -0.09 0.00 -1.37 0.00 0.00 64.86 62.98 2zuf h ILE 452 Cb 0.23 0.67 -0.02 0.00 0.47 0.00 0.00 36.82 38.17 2zuf h ILE 452 CO -0.00 0.18 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.76 2zuf h GLU 453 N 0.56 0.56 0.20 2.19 4.39 -1.29 0.31 114.58 121.50 2zuf h GLU 453 Ca 0.14 -0.19 -0.31 0.00 0.34 0.00 0.00 59.36 59.34 2zuf h GLU 453 Cb 0.10 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2zuf h GLU 453 CO -0.02 0.71 -1.38 1.49 -1.16 0.00 0.00 179.01 178.65 2zuf h GLU 454 N 0.51 0.45 0.10 2.33 4.57 -0.87 -3.27 114.58 118.41 2zuf h GLU 454 Ca 0.09 -0.76 -0.36 0.00 -1.18 0.00 0.00 59.36 57.15 2zuf h GLU 454 Cb 0.58 0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 2zuf h GLU 454 CO 0.04 1.36 -1.98 1.63 -1.18 0.00 0.00 179.01 178.88 2zuf n LYS 455 N -3.66 0.74 -3.17 1.92 5.02 -0.11 -4.69 118.16 114.21 2zuf n LYS 455 Ca -0.14 0.26 -0.19 0.00 -2.02 0.00 0.00 58.31 56.23 2zuf n LYS 455 Cb 1.07 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 34.34 2zuf n LYS 455 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2zuf n ASN 456 N -3.40 1.10 0.12 4.39 2.85 0.09 -4.94 115.26 115.46 2zuf n ASN 456 Ca -0.30 -3.06 0.08 0.00 -0.11 0.00 0.00 54.58 51.19 2zuf n ASN 456 Cb 1.05 -0.62 0.41 0.00 1.24 0.00 0.00 39.78 41.86 2zuf n ASN 456 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2zuf n PRO 457 N 0.25 0.10 -0.15 1.20 -0.04 -1.19 -3.08 135.00 132.09 2zuf n PRO 457 Ca 0.25 0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 64.21 2zuf n PRO 457 Cb 0.64 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2zuf n PRO 457 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2zuf h ALA 458 N 1.86 0.58 -2.07 0.55 0.00 -1.90 -3.45 119.26 114.82 2zuf h ALA 458 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.25 2zuf h ALA 458 Cb 0.10 -0.18 0.22 0.00 0.00 0.00 0.00 17.79 17.93 2zuf h ALA 458 CO 0.00 0.18 -0.87 1.28 0.00 0.00 0.00 179.25 179.84 2zuf n LEU 459 N -4.61 -1.40 -4.87 0.00 4.77 -1.18 -4.97 117.00 104.74 2zuf n LEU 459 Ca 0.01 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.93 2zuf n LEU 459 Cb 0.14 -1.10 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 2zuf n LEU 459 CO 0.37 -3.94 0.72 -0.94 -1.33 0.00 0.00 177.39 172.28 2zuf s SER 460 N -1.82 6.20 0.21 -1.43 1.04 -1.26 -4.84 113.70 111.80 2zuf s SER 460 Ca 0.54 1.43 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 2zuf s SER 460 Cb -0.19 -2.47 0.31 0.00 0.10 0.00 0.00 66.02 63.77 2zuf s SER 460 CO 0.70 -0.89 1.72 0.44 0.98 0.00 0.00 173.24 176.18 2zuf h ASP 461 N -0.33 0.10 -0.09 7.02 3.32 -1.96 -0.20 116.42 124.27 2zuf h ASP 461 Ca -0.44 0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.75 2zuf h ASP 461 Cb 1.19 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.80 2zuf h ASP 461 CO 0.62 0.05 -0.47 -0.08 -1.72 0.00 0.00 179.24 177.65 2zuf h GLU 462 N 0.32 -0.53 -0.76 3.56 4.81 -2.00 -0.04 114.58 119.94 2zuf h GLU 462 Ca 0.33 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2zuf h GLU 462 Cb 0.47 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2zuf h GLU 462 CO -0.38 -0.36 0.29 1.49 -0.73 0.00 0.00 179.01 179.32 2zuf h GLU 463 N -0.55 1.14 -0.07 1.92 4.81 -1.81 -1.50 114.58 118.52 2zuf h GLU 463 Ca 0.05 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2zuf h GLU 463 Cb 0.66 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2zuf h GLU 463 CO -0.39 0.94 -0.10 0.87 -0.73 0.00 0.00 179.01 179.60 2zuf h LYS 464 N 1.11 0.10 0.05 1.92 1.57 -0.41 -0.72 116.57 120.19 2zuf h LYS 464 Ca 0.25 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.77 2zuf h LYS 464 Cb 0.24 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2zuf h LYS 464 CO -0.02 0.20 -1.05 0.00 -0.57 0.00 0.00 179.45 178.01 2zuf h ALA 465 N 1.81 0.25 0.01 3.86 0.00 -0.53 -2.58 119.26 122.09 2zuf h ALA 465 Ca 0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 2zuf h ALA 465 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2zuf h ALA 465 CO 0.01 0.84 -0.01 0.93 0.00 0.00 0.00 179.25 181.02 2zuf h GLU 466 N 0.20 -0.02 -0.35 0.00 5.08 -0.39 -2.32 114.58 116.78 2zuf h GLU 466 Ca -0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2zuf h GLU 466 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2zuf h GLU 466 CO 0.18 0.02 -0.28 -0.39 -1.00 0.00 0.00 179.01 177.54 2zuf h VAL 467 N -0.04 1.28 -0.70 3.13 -1.51 -1.25 -1.48 116.25 115.68 2zuf h VAL 467 Ca -0.00 -1.41 0.05 0.00 -1.23 0.00 0.00 66.70 64.11 2zuf h VAL 467 Cb 0.04 1.31 -0.05 0.00 -2.13 0.00 0.00 31.29 30.46 2zuf h VAL 467 CO 0.00 0.46 0.41 0.00 -1.23 0.00 0.00 177.57 177.21 2zuf h ALA 468 N 1.06 0.93 -0.23 5.19 0.00 -1.33 0.32 119.26 125.20 2zuf h ALA 468 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2zuf h ALA 468 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2zuf h ALA 468 CO 0.07 0.11 -0.15 1.49 0.00 0.00 0.00 179.25 180.77 2zuf h GLU 469 N 0.76 0.50 -0.86 0.00 4.81 -1.25 0.36 114.58 118.89 2zuf h GLU 469 Ca 0.30 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2zuf h GLU 469 Cb 0.15 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2zuf h GLU 469 CO -0.16 0.80 0.57 0.87 -0.73 0.00 0.00 179.01 180.36 2zuf h LYS 470 N 0.21 1.12 0.06 1.92 1.57 -0.56 -0.56 116.57 120.32 2zuf h LYS 470 Ca 0.05 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2zuf h LYS 470 Cb 0.67 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2zuf h LYS 470 CO 0.04 0.74 -0.53 0.28 -0.57 0.00 0.00 179.45 179.41 2zuf h VAL 471 N 1.15 1.54 -0.03 0.50 2.07 -0.32 -2.41 116.25 118.74 2zuf h VAL 471 Ca 0.32 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 2zuf h VAL 471 Cb -0.10 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2zuf h VAL 471 CO -0.08 0.63 0.01 1.23 0.02 0.00 0.00 177.57 179.39 2zuf h GLY 472 N -0.42 0.06 0.79 2.17 0.00 -0.16 -0.25 103.07 105.27 2zuf h GLY 472 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2zuf h GLY 472 CO 0.10 0.03 -0.01 -2.22 0.00 0.00 0.00 176.54 174.45 2zuf h ILE 473 N -0.15 1.26 -0.99 2.60 1.08 -1.26 -2.68 117.51 117.38 2zuf h ILE 473 Ca 0.01 -0.89 0.09 0.00 -0.39 0.00 0.00 64.86 63.69 2zuf h ILE 473 Cb 0.22 1.51 -0.08 0.00 -3.07 0.00 0.00 36.82 35.40 2zuf h ILE 473 CO -0.00 0.27 0.62 1.23 -0.69 0.00 0.00 178.15 179.58 2zuf h GLY 474 N 0.05 1.56 1.22 5.37 0.00 -1.42 -0.19 103.07 109.66 2zuf h GLY 474 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2zuf h GLY 474 CO 0.01 0.24 0.11 0.00 0.00 0.00 0.00 176.54 176.89 2zuf h ALA 475 N 1.49 1.06 -0.31 3.60 0.00 -0.87 0.13 119.26 124.37 2zuf h ALA 475 Ca 0.46 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2zuf h ALA 475 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2zuf h ALA 475 CO -0.22 0.61 -0.06 0.82 0.00 0.00 0.00 179.25 180.39 2zuf h ILE 476 N 0.91 1.28 0.14 0.00 2.04 -0.93 -2.00 117.51 118.95 2zuf h ILE 476 Ca 0.19 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2zuf h ILE 476 Cb 0.38 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2zuf h ILE 476 CO 0.01 0.35 -0.07 0.03 0.00 0.00 0.00 178.15 178.47 2zuf h ARG 477 N 0.36 -0.18 -0.54 2.37 3.08 -0.78 -3.02 114.38 115.67 2zuf h ARG 477 Ca 0.08 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.21 2zuf h ARG 477 Cb 0.55 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 2zuf h ARG 477 CO 0.03 -0.03 0.22 -0.92 -1.07 0.00 0.00 179.97 178.19 2zuf h TYR 478 N -0.30 0.39 0.00 3.04 3.20 -0.97 -1.96 116.97 120.38 2zuf h TYR 478 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2zuf h TYR 478 Cb 0.24 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2zuf h TYR 478 CO -0.04 0.14 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.68 2zuf h ASN 479 N 0.42 0.00 1.63 -2.11 2.35 -1.29 -0.47 115.58 116.12 2zuf h ASN 479 Ca 0.26 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 2zuf h ASN 479 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2zuf h ASN 479 CO -0.24 0.04 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.27 2zuf h LEU 480 N 0.00 0.00 -0.25 1.61 3.38 -1.23 -3.36 115.31 115.47 2zuf h LEU 480 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2zuf h LEU 480 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2zuf h LEU 480 CO 0.01 0.24 -0.16 2.30 0.09 0.00 0.00 178.44 180.92 2zuf n ILE 481 N -3.18 0.00 0.25 1.22 -5.35 -0.90 -4.74 119.36 106.66 2zuf n ILE 481 Ca 0.03 -0.42 0.09 0.00 -0.27 0.00 0.00 62.75 62.17 2zuf n ILE 481 Cb 0.60 1.02 0.64 0.00 -1.74 0.00 0.00 39.64 40.16 2zuf n ILE 481 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2zuf h LYS 482 N 0.19 0.00 -6.11 6.28 2.10 -1.25 -3.30 116.57 114.48 2zuf h LYS 482 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2zuf h LYS 482 Cb 0.12 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.35 2zuf h LYS 482 CO 0.00 0.10 -0.61 1.52 -2.00 0.00 0.00 179.45 178.46 2zuf s TYR 483 N -4.64 2.62 0.27 0.07 -0.85 -1.26 -4.72 117.35 108.85 2zuf s TYR 483 Ca -0.04 -0.34 -0.30 0.00 -0.52 0.00 0.00 57.07 55.86 2zuf s TYR 483 Cb 0.15 -1.40 -0.13 0.00 0.38 0.00 0.00 41.96 40.97 2zuf s TYR 483 CO 0.65 0.51 1.38 -1.13 -1.52 0.00 0.00 175.55 175.43 2zuf n SER 484 N -0.96 2.80 0.04 -0.18 3.41 -1.26 -4.83 113.62 112.63 2zuf n SER 484 Ca -0.05 1.16 0.05 0.00 -0.26 0.00 0.00 58.87 59.77 2zuf n SER 484 Cb 0.61 -1.45 0.22 0.00 -0.26 0.00 0.00 64.21 63.33 2zuf n SER 484 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2zuf n PRO 485 N 1.62 0.04 0.00 4.33 -0.04 -1.26 -2.02 135.00 137.67 2zuf n PRO 485 Ca 0.09 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 2zuf n PRO 485 Cb 0.33 -1.61 0.59 0.00 -0.04 0.00 0.00 33.50 32.77 2zuf n PRO 485 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2zuf n ASP 486 N -1.69 0.00 -4.34 3.54 8.00 -1.26 -0.48 116.55 120.33 2zuf n ASP 486 Ca 0.01 -0.26 -0.32 0.00 0.71 0.00 0.00 54.79 54.93 2zuf n ASP 486 Cb 0.07 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 40.83 2zuf n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2zuf s LYS 487 N -2.37 2.61 0.99 -1.24 1.02 -0.85 -4.79 119.74 115.11 2zuf s LYS 487 Ca 0.25 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 2zuf s LYS 487 Cb 0.15 -2.27 0.18 0.00 -0.52 0.00 0.00 37.83 35.37 2zuf s LYS 487 CO 0.30 0.44 1.08 -1.59 -0.92 0.00 0.00 175.35 174.66 2zuf s LYS 488 N -0.28 0.49 -0.17 1.68 -2.85 -1.26 -4.60 119.74 112.75 2zuf s LYS 488 Ca 0.01 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 2zuf s LYS 488 Cb -0.13 -1.71 0.03 0.00 -2.06 0.00 0.00 37.83 33.96 2zuf s LYS 488 CO 0.03 -2.79 -0.10 0.42 0.10 0.00 0.00 175.35 173.01 2zuf s ILE 489 N -2.76 1.41 -0.62 3.79 1.01 -0.77 -5.02 121.20 118.24 2zuf s ILE 489 Ca 0.66 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2zuf s ILE 489 Cb -0.21 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 40.86 2zuf s ILE 489 CO 0.59 0.26 0.94 -0.63 0.00 0.00 0.00 174.94 176.10 2zuf s ILE 490 N 1.52 4.37 0.08 2.92 1.01 -1.26 -0.14 121.20 129.70 2zuf s ILE 490 Ca 0.02 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 2zuf s ILE 490 Cb -0.15 -4.62 -0.09 0.00 0.01 0.00 0.00 42.46 37.62 2zuf s ILE 490 CO -0.09 -1.32 1.72 0.12 0.00 0.00 0.00 174.94 175.38 2zuf s PHE 491 N 3.96 2.27 -0.04 3.97 2.19 0.21 -4.92 117.98 125.63 2zuf s PHE 491 Ca 0.24 0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.68 2zuf s PHE 491 Cb -0.16 -4.04 0.02 0.00 -1.31 0.00 0.00 43.02 37.53 2zuf s PHE 491 CO 0.13 -4.26 -0.02 0.50 1.83 0.00 0.00 175.22 173.40 2zuf s ARG 492 N 2.78 0.55 0.26 10.12 6.06 -1.26 -4.55 118.95 132.91 2zuf s ARG 492 Ca 0.77 -0.01 -0.03 0.00 -2.50 0.00 0.00 55.73 53.95 2zuf s ARG 492 Cb -0.42 -0.64 0.54 0.00 0.06 0.00 0.00 34.95 34.49 2zuf s ARG 492 CO 0.34 -0.10 1.66 -1.49 -2.50 0.00 0.00 175.30 173.20 2zuf h TRP 493 N 7.19 0.21 -0.93 5.12 4.06 -1.99 0.14 115.95 129.75 2zuf h TRP 493 Ca -0.41 0.05 0.18 0.00 2.06 0.00 0.00 58.89 60.78 2zuf h TRP 493 Cb 1.14 0.03 -0.08 0.00 -1.00 0.00 0.00 29.16 29.26 2zuf h TRP 493 CO 0.50 -0.17 0.60 1.05 -3.56 0.00 0.00 178.44 176.86 2zuf h GLU 494 N 0.20 0.57 0.00 0.49 4.11 -1.96 0.20 114.58 118.19 2zuf h GLU 494 Ca 0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.86 2zuf h GLU 494 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2zuf h GLU 494 CO -0.61 0.38 0.00 -0.25 0.07 0.00 0.00 179.01 178.60 2zuf n ASP 495 N -4.59 0.00 0.00 3.06 10.43 0.49 -1.60 116.55 124.34 2zuf n ASP 495 Ca 0.20 -0.26 0.00 0.00 2.57 0.00 0.00 54.79 57.30 2zuf n ASP 495 Cb 0.60 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.45 2zuf n ASP 495 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2zuf n VAL 496 N -1.11 0.26 -0.11 2.53 0.24 0.63 -4.63 118.33 116.14 2zuf n VAL 496 Ca 0.10 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2zuf n VAL 496 Cb 0.08 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 2zuf n VAL 496 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2zuf n LEU 497 N -0.13 0.89 -4.34 1.34 4.32 -0.72 -4.73 117.00 113.62 2zuf n LEU 497 Ca 0.00 -0.89 -0.40 0.00 -0.02 0.00 0.00 56.01 54.70 2zuf n LEU 497 Cb 0.38 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.07 2zuf n LEU 497 CO 0.00 0.22 -0.16 0.21 -1.22 0.00 0.00 177.39 176.45 2zuf s ASN 498 N -0.00 5.68 -0.42 -1.43 3.84 -0.62 -4.96 114.94 117.02 2zuf s ASN 498 Ca 0.00 -1.11 0.05 0.00 0.21 0.00 0.00 52.86 52.01 2zuf s ASN 498 Cb 0.00 -2.00 0.58 0.00 -0.55 0.00 0.00 41.25 39.27 2zuf s ASN 498 CO 0.00 -0.41 1.75 0.49 -2.79 0.00 0.00 177.10 176.14 2zuf n PHE 499 N 4.97 2.43 -4.29 0.43 0.99 -1.26 -4.93 117.46 115.80 2zuf n PHE 499 Ca -0.12 -1.95 -0.21 0.00 -0.00 0.00 0.00 57.45 55.17 2zuf n PHE 499 Cb 0.45 -0.84 -0.12 0.00 -1.00 0.00 0.00 39.48 37.97 2zuf n PHE 499 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2zuf s GLU 500 N -3.37 1.15 0.59 -1.08 2.02 -1.26 -4.27 118.70 112.48 2zuf s GLU 500 Ca 0.54 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2zuf s GLU 500 Cb 0.46 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.46 2zuf s GLU 500 CO 0.05 0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.00 2zuf n GLY 501 N 0.65 0.15 3.23 -1.39 0.00 -1.26 -4.59 105.19 101.97 2zuf n GLY 501 Ca -0.16 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2zuf n GLY 501 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zuf n GLU 502 N 0.49 3.02 -4.40 1.61 1.02 -1.26 -4.68 120.64 116.42 2zuf n GLU 502 Ca 0.00 -2.97 -0.20 0.00 -0.02 0.00 0.00 57.16 53.97 2zuf n GLU 502 Cb 0.00 -3.41 -0.10 0.00 -0.02 0.00 0.00 31.44 27.91 2zuf n GLU 502 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2zuf s SER 503 N 3.85 1.96 0.07 1.62 1.04 -1.26 -4.96 113.70 116.02 2zuf s SER 503 Ca 0.51 -1.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.36 2zuf s SER 503 Cb 0.08 0.02 -0.11 0.00 0.10 0.00 0.00 66.02 66.12 2zuf s SER 503 CO 0.01 -0.66 1.45 0.00 0.98 0.00 0.00 173.24 175.01 2zuf h ALA 504 N 2.20 0.29 -0.52 5.32 0.00 -1.86 -3.04 119.26 121.64 2zuf h ALA 504 Ca -0.40 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.34 2zuf h ALA 504 Cb 1.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2zuf h ALA 504 CO 0.66 0.09 0.35 -1.35 0.00 0.00 0.00 179.25 179.00 2zuf h PRO 505 N 0.13 0.30 -0.31 0.00 0.11 -1.86 0.13 132.00 130.50 2zuf h PRO 505 Ca 0.05 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.15 2zuf h PRO 505 Cb 0.53 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 2zuf h PRO 505 CO 0.02 0.20 0.19 -0.92 -0.21 0.00 0.00 178.00 177.28 2zuf h TYR 506 N 0.31 0.35 -0.16 0.65 3.20 -1.71 0.28 116.97 119.89 2zuf h TYR 506 Ca 0.24 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 2zuf h TYR 506 Cb 0.53 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2zuf h TYR 506 CO -0.00 0.21 -0.21 0.82 -1.64 0.00 0.00 178.16 177.34 2zuf h ILE 507 N 0.38 1.35 -0.87 1.81 2.04 -1.20 -2.79 117.51 118.22 2zuf h ILE 507 Ca 0.12 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.65 2zuf h ILE 507 Cb -0.01 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 2zuf h ILE 507 CO -0.05 0.42 0.57 1.56 0.00 0.00 0.00 178.15 180.64 2zuf h GLN 508 N 0.06 0.90 -0.43 2.37 4.20 -0.53 -1.46 115.11 120.23 2zuf h GLN 508 Ca 0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2zuf h GLN 508 Cb 0.76 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2zuf h GLN 508 CO 0.05 0.60 0.04 -0.92 -0.67 0.00 0.00 178.83 177.92 2zuf h TYR 509 N 0.93 0.79 -0.72 2.96 3.20 -0.40 0.11 116.97 123.84 2zuf h TYR 509 Ca 0.39 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2zuf h TYR 509 Cb 0.29 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2zuf h TYR 509 CO -0.00 0.77 0.37 0.00 -1.64 0.00 0.00 178.16 177.66 2zuf h ALA 510 N 0.92 1.30 0.18 1.82 0.00 -1.11 0.13 119.26 122.51 2zuf h ALA 510 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2zuf h ALA 510 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2zuf h ALA 510 CO 0.02 0.56 -0.09 1.25 0.00 0.00 0.00 179.25 180.98 2zuf h HIS 511 N 1.01 -0.22 -0.53 0.00 -0.00 -0.81 -2.36 115.15 112.22 2zuf h HIS 511 Ca 0.25 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.70 2zuf h HIS 511 Cb 0.06 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 2zuf h HIS 511 CO 0.01 0.10 0.36 0.00 -0.00 0.00 0.00 177.93 178.39 2zuf h ALA 512 N 0.18 1.99 -0.45 5.26 0.00 -0.49 0.06 119.26 125.81 2zuf h ALA 512 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2zuf h ALA 512 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2zuf h ALA 512 CO 0.04 -0.10 0.29 0.00 0.00 0.00 0.00 179.25 179.48 2zuf h ARG 513 N 0.39 0.61 0.35 0.00 3.08 -0.55 -0.74 114.38 117.52 2zuf h ARG 513 Ca 0.24 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2zuf h ARG 513 Cb 0.45 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2zuf h ARG 513 CO -0.06 0.42 -0.17 0.00 -1.07 0.00 0.00 179.97 179.09 2zuf h SER 515 N -0.53 0.45 -0.47 0.00 0.02 -0.99 -2.17 113.55 109.85 2zuf h SER 515 Ca -0.05 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2zuf h SER 515 Cb 0.40 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2zuf h SER 515 CO 0.08 0.23 0.11 0.28 -1.14 0.00 0.00 176.83 176.39 2zuf h SER 516 N 0.58 0.72 -0.39 3.07 0.02 -1.03 0.14 113.55 116.66 2zuf h SER 516 Ca 0.39 -0.23 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2zuf h SER 516 Cb 0.48 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 2zuf h SER 516 CO -0.32 0.77 0.10 0.40 -1.14 0.00 0.00 176.83 176.64 2zuf h ILE 517 N 0.64 0.83 -0.40 3.27 2.04 -0.75 0.34 117.51 123.48 2zuf h ILE 517 Ca 0.15 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 2zuf h ILE 517 Cb 0.33 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2zuf h ILE 517 CO 0.00 0.04 -0.14 -0.07 0.00 0.00 0.00 178.15 177.99 2zuf h LEU 518 N 0.24 0.72 -0.13 1.44 3.38 -1.19 -0.82 115.31 118.96 2zuf h LEU 518 Ca 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2zuf h LEU 518 Cb 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2zuf h LEU 518 CO -0.22 0.88 0.01 -0.09 0.09 0.00 0.00 178.44 179.10 2zuf h ARG 519 N 0.66 0.22 -0.92 1.13 2.43 0.16 -1.53 114.38 116.52 2zuf h ARG 519 Ca 0.11 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2zuf h ARG 519 Cb 0.61 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 2zuf h ARG 519 CO 0.04 0.44 0.58 -0.22 -1.51 0.00 0.00 179.97 179.30 2zuf h LYS 520 N -0.03 1.03 0.18 0.20 1.63 -0.22 -1.66 116.57 117.69 2zuf h LYS 520 Ca 0.04 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2zuf h LYS 520 Cb 0.33 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2zuf h LYS 520 CO 0.00 0.68 -0.08 0.00 -3.45 0.00 0.00 179.45 176.60 2zuf h ALA 521 N 1.43 -0.24 0.24 5.00 0.00 -0.75 -2.85 119.26 122.10 2zuf h ALA 521 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2zuf h ALA 521 Cb 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2zuf h ALA 521 CO -0.18 -0.61 -0.24 0.93 0.00 0.00 0.00 179.25 179.16 2zuf h GLU 522 N -0.29 -0.50 -0.03 0.00 5.08 -0.89 -1.94 114.58 116.01 2zuf h GLU 522 Ca -0.02 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2zuf h GLU 522 Cb 0.23 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2zuf h GLU 522 CO 0.04 -0.33 0.38 0.93 -1.00 0.00 0.00 179.01 179.03 2zuf h GLU 523 N -0.52 0.00 -0.38 2.33 5.08 -1.30 -0.85 114.58 118.94 2zuf h GLU 523 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2zuf h GLU 523 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2zuf h GLU 523 CO -0.05 0.00 0.01 0.39 -1.00 0.00 0.00 179.01 178.35 2zuf n GLU 524 N -2.92 3.55 -0.96 2.33 1.02 -0.78 -4.96 120.64 117.92 2zuf n GLU 524 Ca -0.01 -2.96 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 2zuf n GLU 524 Cb 0.43 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2zuf n GLU 524 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2zuf n GLY 525 N -0.16 0.87 3.69 0.62 0.00 -0.32 -5.02 105.19 104.87 2zuf n GLY 525 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2zuf n GLY 525 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zuf s ILE 526 N -3.46 4.55 -0.14 -0.61 1.01 -0.90 -4.97 121.20 116.68 2zuf s ILE 526 Ca 0.00 1.84 -0.29 0.00 0.00 0.00 0.00 60.65 62.19 2zuf s ILE 526 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2zuf s ILE 526 CO 0.00 0.03 1.65 -0.54 0.00 0.00 0.00 174.94 176.08 2zuf s LYS 527 N 1.86 3.96 0.00 2.79 -0.14 -1.26 -4.26 119.74 122.68 2zuf s LYS 527 Ca 0.52 1.92 0.12 0.00 -1.36 0.00 0.00 55.97 57.17 2zuf s LYS 527 Cb -0.22 -4.02 0.18 0.00 -1.68 0.00 0.00 37.83 32.09 2zuf s LYS 527 CO 0.22 -1.11 1.02 1.33 -0.76 0.00 0.00 175.35 176.05 2zuf n VAL 528 N 6.01 0.36 -2.03 3.17 0.24 -1.26 -4.66 118.33 120.16 2zuf n VAL 528 Ca 0.18 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 2zuf n VAL 528 Cb 0.44 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 2zuf n VAL 528 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2zuf s ASP 529 N -1.00 6.68 0.37 -1.34 -4.77 -1.26 -4.86 116.67 110.50 2zuf s ASP 529 Ca 0.18 2.55 0.19 0.00 -3.30 0.00 0.00 52.55 52.17 2zuf s ASP 529 Cb 0.11 -2.60 1.19 0.00 -1.09 0.00 0.00 42.92 40.53 2zuf s ASP 529 CO 0.16 -0.73 1.66 -0.65 0.70 0.00 0.00 175.17 176.30 2zuf h PRO 530 N 6.21 0.24 0.78 2.11 0.11 -1.98 -1.90 132.00 137.56 2zuf h PRO 530 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2zuf h PRO 530 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2zuf h PRO 530 CO 0.85 0.16 -0.49 0.93 -0.21 0.00 0.00 178.00 179.24 2zuf h GLU 531 N 0.25 -1.15 -0.78 1.05 3.07 -2.00 -0.77 114.58 114.25 2zuf h GLU 531 Ca 0.75 0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.69 2zuf h GLU 531 Cb 1.92 0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 30.05 2zuf h GLU 531 CO -0.55 -0.77 0.49 1.15 -1.40 0.00 0.00 179.01 177.94 2zuf h THR 532 N -1.19 1.21 -0.68 1.13 2.02 -1.76 -2.12 112.91 111.52 2zuf h THR 532 Ca -0.10 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 2zuf h THR 532 Cb 0.96 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2zuf h THR 532 CO 0.10 0.22 0.23 -0.07 0.37 0.00 0.00 175.52 176.37 2zuf h LEU 533 N 1.07 0.95 -0.65 2.58 3.38 -1.28 -2.35 115.31 119.00 2zuf h LEU 533 Ca 0.28 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2zuf h LEU 533 Cb -0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2zuf h LEU 533 CO -0.06 0.87 -0.66 -0.26 0.09 0.00 0.00 178.44 178.43 2zuf h PHE 534 N 0.99 0.10 -0.77 1.13 0.04 -0.93 0.10 116.94 117.61 2zuf h PHE 534 Ca 0.22 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2zuf h PHE 534 Cb 0.25 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 2zuf h PHE 534 CO 0.02 0.71 0.49 -0.22 -0.60 0.00 0.00 178.31 178.71 2zuf h LYS 535 N 0.05 1.02 -0.01 1.51 3.11 -0.86 -3.15 116.57 118.24 2zuf h LYS 535 Ca -0.01 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2zuf h LYS 535 Cb 1.17 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 2zuf h LYS 535 CO 0.09 0.69 -0.36 0.09 -2.81 0.00 0.00 179.45 177.15 2zuf n ASN 536 N -4.53 1.58 -4.77 4.20 3.02 -1.04 -5.00 115.26 108.71 2zuf n ASN 536 Ca 0.07 -1.29 -0.40 0.00 -0.03 0.00 0.00 54.58 52.93 2zuf n ASN 536 Cb 0.03 0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2zuf n ASN 536 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2zuf s ALA 537 N -1.95 3.44 0.00 5.41 0.00 0.34 -3.85 121.76 125.15 2zuf s ALA 537 Ca 0.13 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2zuf s ALA 537 Cb 0.13 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2zuf s ALA 537 CO 0.42 -0.98 0.00 -3.47 0.00 0.00 0.00 175.76 171.74 2zuf n ASP 538 N 0.32 0.00 0.00 0.00 -0.08 0.23 -4.90 116.55 112.12 2zuf n ASP 538 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2zuf n ASP 538 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 2zuf n ASP 538 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2zuf n PHE 539 N -0.55 0.00 1.27 -0.67 3.72 -1.26 -4.89 117.46 115.08 2zuf n PHE 539 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 2zuf n PHE 539 Cb 0.00 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 38.88 2zuf n PHE 539 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2zuf n THR 540 N -2.00 0.01 -1.66 4.37 -2.24 -1.26 -4.09 114.28 107.41 2zuf n THR 540 Ca 0.00 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 2zuf n THR 540 Cb 0.00 0.92 0.15 0.00 -2.10 0.00 0.00 70.33 69.29 2zuf n THR 540 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2zuf n LYS 541 N 0.68 2.28 -1.92 -0.78 5.02 -1.26 -5.03 118.16 117.15 2zuf n LYS 541 Ca 0.17 -3.52 -0.42 0.00 -2.02 0.00 0.00 58.31 52.52 2zuf n LYS 541 Cb 0.46 -1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2zuf n LYS 541 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2zuf s LEU 542 N -3.38 4.37 0.78 -0.35 1.02 -1.26 -5.01 118.68 114.85 2zuf s LEU 542 Ca 0.45 2.58 -0.10 0.00 0.02 0.00 0.00 54.13 57.08 2zuf s LEU 542 Cb 0.40 -3.58 0.08 0.00 0.02 0.00 0.00 46.19 43.11 2zuf s LEU 542 CO -0.02 -0.86 1.12 -0.94 0.02 0.00 0.00 176.35 175.67 2zuf s SER 543 N 1.70 4.53 0.14 2.29 1.04 -1.26 -4.86 113.70 117.28 2zuf s SER 543 Ca 0.72 0.59 -0.22 0.00 0.48 0.00 0.00 55.95 57.52 2zuf s SER 543 Cb -0.42 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 64.60 2zuf s SER 543 CO 0.32 -1.84 1.65 -0.33 0.98 0.00 0.00 173.24 174.02 2zuf h GLU 544 N -0.90 -0.21 -0.27 4.02 5.08 -1.99 -1.77 114.58 118.54 2zuf h GLU 544 Ca -0.45 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2zuf h GLU 544 Cb 1.32 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2zuf h GLU 544 CO 0.61 -0.14 -0.21 0.00 -1.00 0.00 0.00 179.01 178.27 2zuf h ARG 545 N -0.22 -0.19 -0.71 2.33 2.47 -1.98 0.13 114.38 116.21 2zuf h ARG 545 Ca 0.12 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.94 2zuf h ARG 545 Cb 0.40 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.71 2zuf h ARG 545 CO -0.32 -0.12 0.47 0.93 0.56 0.00 0.00 179.97 181.49 2zuf h GLU 546 N -0.19 0.62 -0.24 0.04 5.08 -1.86 0.19 114.58 118.22 2zuf h GLU 546 Ca 0.15 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2zuf h GLU 546 Cb 0.42 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2zuf h GLU 546 CO -0.39 0.41 -0.30 0.00 -1.00 0.00 0.00 179.01 177.74 2zuf h ARG 547 N 0.63 0.62 -0.68 2.33 3.08 -0.26 -1.92 114.38 118.18 2zuf h ARG 547 Ca 0.32 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2zuf h ARG 547 Cb 0.43 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2zuf h ARG 547 CO -0.11 0.96 0.35 0.93 -1.07 0.00 0.00 179.97 181.02 2zuf h GLU 548 N 0.32 0.94 -0.61 0.04 5.08 0.59 -1.95 114.58 119.00 2zuf h GLU 548 Ca 0.03 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2zuf h GLU 548 Cb 0.87 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2zuf h GLU 548 CO 0.07 0.71 0.07 -0.07 -1.00 0.00 0.00 179.01 178.79 2zuf h LEU 549 N 0.95 0.98 -0.23 1.33 3.38 -0.48 -0.83 115.31 120.41 2zuf h LEU 549 Ca 0.24 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2zuf h LEU 549 Cb 0.06 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.55 2zuf h LEU 549 CO -0.04 1.00 -0.75 -0.37 0.09 0.00 0.00 178.44 178.38 2zuf h VAL 550 N 0.95 1.30 -0.55 1.22 -1.51 -0.91 -0.72 116.25 116.03 2zuf h VAL 550 Ca 0.19 -1.99 -0.09 0.00 -1.23 0.00 0.00 66.70 63.58 2zuf h VAL 550 Cb 0.46 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 2zuf h VAL 550 CO 0.02 0.62 -0.02 0.40 -1.23 0.00 0.00 177.57 177.36 2zuf h ILE 551 N 0.50 1.27 0.40 7.19 1.08 -1.32 -0.99 117.51 125.64 2zuf h ILE 551 Ca -0.04 -1.15 -0.02 0.00 -0.39 0.00 0.00 64.86 63.26 2zuf h ILE 551 Cb 1.36 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2zuf h ILE 551 CO 0.15 0.41 -0.23 -0.03 -0.69 0.00 0.00 178.15 177.76 2zuf h MET 552 N 0.87 -0.58 -0.99 2.37 4.05 -1.11 -2.47 114.93 117.07 2zuf h MET 552 Ca 0.15 0.04 0.17 0.00 -0.28 0.00 0.00 59.70 59.78 2zuf h MET 552 Cb 0.57 0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 31.41 2zuf h MET 552 CO 0.03 -0.39 0.61 -0.07 0.23 0.00 0.00 176.91 177.33 2zuf h LEU 553 N -0.60 0.78 -0.45 3.39 3.38 -0.92 0.13 115.31 121.02 2zuf h LEU 553 Ca -0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2zuf h LEU 553 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2zuf h LEU 553 CO 0.06 0.33 0.00 -1.54 0.09 0.00 0.00 178.44 177.38 2zuf n SER 554 N -4.68 0.40 0.04 -0.43 3.41 -0.39 -2.58 113.62 109.39 2zuf n SER 554 Ca 0.21 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 2zuf n SER 554 Cb 0.51 -0.69 0.18 0.00 -0.26 0.00 0.00 64.21 63.96 2zuf n SER 554 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2zuf n LYS 555 N -1.94 0.23 -0.17 4.33 5.02 0.45 -4.45 118.16 121.62 2zuf n LYS 555 Ca 0.02 0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 2zuf n LYS 555 Cb 0.19 -1.64 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 2zuf n LYS 555 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2zuf h PHE 556 N 0.00 0.05 -0.83 2.13 3.57 -1.52 -1.80 116.94 118.54 2zuf h PHE 556 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2zuf h PHE 556 Cb 0.69 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2zuf h PHE 556 CO 0.00 -0.08 0.54 -1.00 -2.23 0.00 0.00 178.31 175.54 2zuf h PRO 557 N 0.16 1.07 -0.07 6.41 0.13 -1.82 -1.49 132.00 136.38 2zuf h PRO 557 Ca 0.27 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.24 2zuf h PRO 557 Cb 0.40 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 2zuf h PRO 557 CO -0.41 0.71 -0.41 0.07 -0.23 0.00 0.00 178.00 177.73 2zuf h ARG 558 N 1.10 0.15 -0.63 0.86 -0.00 -1.76 -2.14 114.38 111.97 2zuf h ARG 558 Ca 0.31 -0.07 -0.10 0.00 -0.00 0.00 0.00 59.98 60.12 2zuf h ARG 558 Cb -0.10 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.84 2zuf h ARG 558 CO -0.08 0.54 0.02 0.82 -0.00 0.00 0.00 179.97 181.28 2zuf h ILE 559 N 0.13 1.27 -0.42 0.08 1.08 -0.86 -0.49 117.51 118.30 2zuf h ILE 559 Ca 0.01 -1.14 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 2zuf h ILE 559 Cb 0.79 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2zuf h ILE 559 CO 0.06 0.42 0.05 0.58 -0.69 0.00 0.00 178.15 178.57 2zuf h VAL 560 N 1.00 1.25 -0.69 1.67 2.07 -0.97 -0.42 116.25 120.16 2zuf h VAL 560 Ca 0.18 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 2zuf h VAL 560 Cb 0.54 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2zuf h VAL 560 CO 0.03 0.32 0.19 -0.33 0.02 0.00 0.00 177.57 177.79 2zuf h GLU 561 N 0.55 1.09 -0.56 1.57 5.08 -1.22 -1.37 114.58 119.73 2zuf h GLU 561 Ca 0.13 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2zuf h GLU 561 Cb 0.40 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2zuf h GLU 561 CO 0.01 0.96 0.19 0.37 -1.00 0.00 0.00 179.01 179.54 2zuf h GLN 562 N 1.03 0.85 -0.51 2.33 4.15 -0.94 0.99 115.11 123.01 2zuf h GLN 562 Ca 0.22 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 2zuf h GLN 562 Cb 0.34 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2zuf h GLN 562 CO -0.00 0.76 0.09 0.00 -1.93 0.00 0.00 178.83 177.75 2zuf h ALA 563 N 1.05 1.20 0.04 3.38 0.00 -0.81 -0.18 119.26 123.95 2zuf h ALA 563 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2zuf h ALA 563 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2zuf h ALA 563 CO -0.01 0.54 -0.02 0.78 0.00 0.00 0.00 179.25 180.54 2zuf h GLY 564 N 0.96 -0.06 1.21 0.00 0.00 -0.84 0.14 103.07 104.49 2zuf h GLY 564 Ca 0.16 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.40 2zuf h GLY 564 CO 0.00 -0.02 -0.18 0.07 0.00 0.00 0.00 176.54 176.41 2zuf h LYS 565 N -0.77 0.91 -0.01 4.80 2.10 -0.81 -2.76 116.57 120.04 2zuf h LYS 565 Ca -0.01 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2zuf h LYS 565 Cb 0.65 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2zuf h LYS 565 CO 0.01 1.01 -0.10 -0.25 -2.00 0.00 0.00 179.45 178.12 2zuf n ASP 566 N -4.12 0.86 -3.48 7.07 9.92 -0.08 -4.95 116.55 121.76 2zuf n ASP 566 Ca 0.01 -0.98 -0.21 0.00 -0.53 0.00 0.00 54.79 53.07 2zuf n ASP 566 Cb 0.43 0.01 0.06 0.00 -0.64 0.00 0.00 41.12 40.97 2zuf n ASP 566 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2zuf n VAL 567 N -0.54 -7.09 -3.56 2.53 0.31 -0.64 -4.99 118.33 104.34 2zuf n VAL 567 Ca 0.16 -1.02 -0.28 0.00 -0.01 0.00 0.00 64.34 63.19 2zuf n VAL 567 Cb 0.30 -5.26 -0.12 0.00 -0.91 0.00 0.00 33.84 27.85 2zuf n VAL 567 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2zuf s LYS 568 N -5.24 1.08 0.51 5.55 1.02 0.41 -4.98 119.74 118.09 2zuf s LYS 568 Ca 0.35 -1.97 0.21 0.00 0.02 0.00 0.00 55.97 54.57 2zuf s LYS 568 Cb -0.08 -1.87 1.30 0.00 -0.52 0.00 0.00 37.83 36.66 2zuf s LYS 568 CO 0.79 -1.26 2.04 -1.35 -0.92 0.00 0.00 175.35 174.65 2zuf h PRO 569 N 6.36 0.07 0.00 -1.68 0.11 -1.91 -1.82 132.00 133.12 2zuf h PRO 569 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2zuf h PRO 569 Cb 0.92 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2zuf h PRO 569 CO 0.41 0.05 0.00 1.12 -0.21 0.00 0.00 178.00 179.37 2zuf h HIS 570 N 0.07 0.00 -0.02 0.65 2.07 -1.89 -0.59 115.15 115.45 2zuf h HIS 570 Ca 0.19 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.62 2zuf h HIS 570 Cb 0.65 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.62 2zuf h HIS 570 CO -0.00 0.00 -0.40 -0.07 -3.07 0.00 0.00 177.93 174.39 2zuf h LEU 571 N 0.00 0.04 -0.29 6.12 3.38 -1.65 -1.17 115.31 121.74 2zuf h LEU 571 Ca 0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2zuf h LEU 571 Cb 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2zuf h LEU 571 CO 0.00 0.44 -0.79 0.40 0.09 0.00 0.00 178.44 178.58 2zuf h ILE 572 N 0.04 1.36 -0.27 1.22 1.08 -1.28 -2.24 117.51 117.42 2zuf h ILE 572 Ca 0.00 -2.16 -0.10 0.00 -0.39 0.00 0.00 64.86 62.21 2zuf h ILE 572 Cb 0.72 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 2zuf h ILE 572 CO 0.05 0.66 -0.21 0.00 -0.69 0.00 0.00 178.15 177.96 2zuf h ALA 573 N 0.80 0.38 0.13 1.87 0.00 -1.46 -1.54 119.26 119.43 2zuf h ALA 573 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2zuf h ALA 573 Cb 1.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2zuf h ALA 573 CO 0.14 0.33 -0.06 2.35 0.00 0.00 0.00 179.25 182.02 2zuf h TRP 574 N 0.34 -0.16 -0.24 0.00 7.01 -1.25 -1.71 115.95 119.93 2zuf h TRP 574 Ca 0.05 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.10 2zuf h TRP 574 Cb 0.76 0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.82 2zuf h TRP 574 CO 0.07 -0.08 -0.08 0.35 -2.79 0.00 0.00 178.44 175.91 2zuf h PHE 575 N -0.19 -0.18 -0.50 2.65 3.57 -1.38 -1.41 116.94 119.50 2zuf h PHE 575 Ca -0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2zuf h PHE 575 Cb 0.15 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2zuf h PHE 575 CO -0.06 -0.13 0.21 0.00 -2.23 0.00 0.00 178.31 176.10 2zuf h ALA 576 N 1.20 0.63 -0.50 2.41 0.00 -1.15 -0.58 119.26 121.27 2zuf h ALA 576 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2zuf h ALA 576 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2zuf h ALA 576 CO -0.27 -0.16 0.31 -0.97 0.00 0.00 0.00 179.25 178.16 2zuf h ASN 577 N 0.42 0.59 -0.32 0.00 -1.24 -0.98 -0.40 115.58 113.65 2zuf h ASN 577 Ca 0.23 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 2zuf h ASN 577 Cb 0.20 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2zuf h ASN 577 CO -0.20 0.46 0.13 -0.33 -1.29 0.00 0.00 177.43 176.19 2zuf h GLU 578 N 0.67 0.48 -0.58 6.67 4.39 -0.68 0.11 114.58 125.63 2zuf h GLU 578 Ca 0.18 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2zuf h GLU 578 Cb -0.03 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2zuf h GLU 578 CO -0.04 0.49 0.13 1.25 -1.16 0.00 0.00 179.01 179.68 2zuf h LEU 579 N 0.37 0.90 -0.36 1.33 5.85 -1.03 -0.72 115.31 121.64 2zuf h LEU 579 Ca 0.11 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2zuf h LEU 579 Cb 0.18 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2zuf h LEU 579 CO -0.01 0.90 0.21 0.00 -0.34 0.00 0.00 178.44 179.21 2zuf h ALA 580 N 1.03 0.46 -0.06 1.25 0.00 -0.80 -1.21 119.26 119.94 2zuf h ALA 580 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2zuf h ALA 580 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2zuf h ALA 580 CO 0.00 -0.03 -0.04 1.03 0.00 0.00 0.00 179.25 180.21 2zuf h SER 581 N 0.47 -0.13 -0.38 0.00 0.87 -0.54 0.86 113.55 114.70 2zuf h SER 581 Ca 0.13 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2zuf h SER 581 Cb 0.02 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 2zuf h SER 581 CO -0.02 -0.06 0.09 0.25 -0.53 0.00 0.00 176.83 176.56 2zuf h LEU 582 N -0.04 0.04 -0.63 2.23 5.85 -0.98 -1.22 115.31 120.56 2zuf h LEU 582 Ca 0.04 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2zuf h LEU 582 Cb 0.10 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2zuf h LEU 582 CO -0.09 0.06 0.09 0.15 -0.34 0.00 0.00 178.44 178.31 2zuf h PHE 583 N 0.22 1.13 -0.40 1.25 3.04 -0.85 -1.29 116.94 120.03 2zuf h PHE 583 Ca 0.18 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 2zuf h PHE 583 Cb 0.20 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 2zuf h PHE 583 CO -0.18 0.96 0.08 -0.91 -2.02 0.00 0.00 178.31 176.24 2zuf h ASN 584 N 0.96 0.56 -0.27 0.41 -0.26 -0.36 0.43 115.58 117.05 2zuf h ASN 584 Ca 0.19 -0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.76 2zuf h ASN 584 Cb 0.45 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 2zuf h ASN 584 CO 0.02 0.58 -0.14 0.11 -1.06 0.00 0.00 177.43 176.93 2zuf h LYS 585 N 0.59 0.56 -0.55 0.81 1.57 -0.95 -2.93 116.57 115.67 2zuf h LYS 585 Ca 0.13 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2zuf h LYS 585 Cb 0.26 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2zuf h LYS 585 CO 0.00 0.82 0.32 0.35 -0.57 0.00 0.00 179.45 180.37 2zuf h PHE 586 N 0.29 0.60 -0.83 -1.35 3.57 -0.44 -2.65 116.94 116.13 2zuf h PHE 586 Ca 0.06 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.69 2zuf h PHE 586 Cb 0.65 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 2zuf h PHE 586 CO 0.06 0.34 0.54 -0.92 -2.23 0.00 0.00 178.31 176.10 2zuf h TYR 587 N 0.64 0.78 -0.24 0.41 3.20 -0.06 -1.12 116.97 120.59 2zuf h TYR 587 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2zuf h TYR 587 Cb 0.05 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2zuf h TYR 587 CO -0.07 0.33 0.05 1.98 -1.64 0.00 0.00 178.16 178.82 2zuf h MET 588 N 0.70 0.38 -0.02 1.82 4.05 -1.29 -3.36 114.93 117.21 2zuf h MET 588 Ca 0.40 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 2zuf h MET 588 Cb 0.57 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 2zuf h MET 588 CO -0.16 0.49 0.00 -0.40 0.23 0.00 0.00 176.91 177.07 2zuf n ASP 589 N -4.73 2.24 -3.95 1.39 5.75 -1.15 -4.92 116.55 111.19 2zuf n ASP 589 Ca -0.03 -2.47 -0.30 0.00 -0.01 0.00 0.00 54.79 51.97 2zuf n ASP 589 Cb 0.18 -0.20 -0.14 0.00 -1.03 0.00 0.00 41.12 39.93 2zuf n ASP 589 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2zuf s HIS 590 N -1.81 3.25 0.23 2.11 3.76 -0.44 -5.08 115.29 117.32 2zuf s HIS 590 Ca 0.15 -2.98 -0.31 0.00 -0.15 0.00 0.00 55.06 51.77 2zuf s HIS 590 Cb 0.13 -2.74 -0.12 0.00 1.11 0.00 0.00 32.58 30.96 2zuf s HIS 590 CO 0.02 -0.84 1.69 -2.14 -0.85 0.00 0.00 174.74 172.63 2zuf s PRO 591 N 0.33 4.12 -0.08 8.40 0.02 -1.26 -4.78 135.00 141.75 2zuf s PRO 591 Ca 0.14 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 63.69 2zuf s PRO 591 Cb -0.23 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2zuf s PRO 591 CO -0.04 -0.73 -0.16 0.28 -0.33 0.00 0.00 177.00 176.02 2zuf n VAL 592 N 3.48 0.69 -0.11 3.83 0.31 -1.26 -4.11 118.33 121.16 2zuf n VAL 592 Ca 0.14 0.33 -0.05 0.00 -0.01 0.00 0.00 64.34 64.74 2zuf n VAL 592 Cb 0.36 -1.87 0.14 0.00 -0.91 0.00 0.00 33.84 31.56 2zuf n VAL 592 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2zuf h LEU 593 N -0.44 0.77 -1.98 7.52 3.38 -1.91 -2.92 115.31 119.73 2zuf h LEU 593 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2zuf h LEU 593 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2zuf h LEU 593 CO 0.00 0.86 0.00 0.29 0.09 0.00 0.00 178.44 179.68 2zuf n LYS 594 N -4.20 2.49 -1.92 1.13 4.76 -1.26 -4.94 118.16 114.22 2zuf n LYS 594 Ca 0.02 -1.77 -0.30 0.00 -2.87 0.00 0.00 58.31 53.39 2zuf n LYS 594 Cb 0.32 -1.55 0.05 0.00 -1.84 0.00 0.00 35.03 32.02 2zuf n LYS 594 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2zuf s ALA 595 N -1.59 2.89 0.64 7.82 0.00 -1.10 -5.02 121.76 125.40 2zuf s ALA 595 Ca 0.32 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2zuf s ALA 595 Cb 0.19 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 2zuf s ALA 595 CO 0.18 -1.19 1.11 -1.83 0.00 0.00 0.00 175.76 174.03 2zuf s GLU 596 N -5.37 2.89 0.60 0.00 -1.05 -1.26 -4.59 118.70 109.92 2zuf s GLU 596 Ca 0.58 1.43 -0.18 0.00 -0.15 0.00 0.00 54.97 56.65 2zuf s GLU 596 Cb -0.11 -1.96 -0.06 0.00 -0.44 0.00 0.00 34.13 31.56 2zuf s GLU 596 CO 0.51 -1.18 0.77 0.39 0.95 0.00 0.00 175.26 176.69 2zuf n GLU 597 N -2.24 0.68 0.00 -4.83 1.02 -1.26 -0.57 120.64 113.45 2zuf n GLU 597 Ca 0.11 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2zuf n GLU 597 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2zuf n GLU 597 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2zuf n GLY 598 N 1.50 2.05 0.22 0.62 0.00 -1.25 -4.44 105.19 103.90 2zuf n GLY 598 Ca 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.88 2zuf n GLY 598 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2zuf h VAL 599 N 0.00 1.23 -0.25 1.61 2.07 -1.78 0.84 116.25 119.96 2zuf h VAL 599 Ca 0.00 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2zuf h VAL 599 Cb 0.00 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2zuf h VAL 599 CO 0.00 0.32 0.11 -0.09 0.02 0.00 0.00 177.57 177.93 2zuf h ARG 600 N 0.17 0.38 -0.17 1.57 2.43 -1.05 -0.44 114.38 117.27 2zuf h ARG 600 Ca 0.03 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 2zuf h ARG 600 Cb 0.55 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2zuf h ARG 600 CO 0.04 0.40 -0.46 1.05 -1.51 0.00 0.00 179.97 179.49 2zuf h GLU 601 N 0.27 0.43 -0.35 0.20 9.09 -1.79 -0.93 114.58 121.50 2zuf h GLU 601 Ca 0.09 -0.24 -0.07 0.00 0.05 0.00 0.00 59.36 59.19 2zuf h GLU 601 Cb 0.16 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.26 2zuf h GLU 601 CO -0.01 0.81 -0.06 0.00 0.05 0.00 0.00 179.01 179.80 2zuf h ALA 602 N 1.16 1.25 0.00 1.06 0.00 -1.18 -0.46 119.26 121.08 2zuf h ALA 602 Ca 0.02 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2zuf h ALA 602 Cb 0.95 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2zuf h ALA 602 CO 0.08 0.49 -0.72 0.00 0.00 0.00 0.00 179.25 179.11 2zuf h ARG 603 N 0.53 0.00 -0.33 0.00 3.08 -0.74 -1.95 114.38 114.97 2zuf h ARG 603 Ca 0.11 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 2zuf h ARG 603 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2zuf h ARG 603 CO 0.02 0.72 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.09 2zuf h LEU 604 N 0.00 0.99 -0.39 3.04 3.38 -0.77 -0.24 115.31 121.32 2zuf h LEU 604 Ca -0.01 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2zuf h LEU 604 Cb 1.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2zuf h LEU 604 CO 0.09 1.30 0.24 -0.07 0.09 0.00 0.00 178.44 180.09 2zuf h LEU 605 N 0.71 0.46 -0.75 1.67 4.07 -1.04 -0.66 115.31 119.77 2zuf h LEU 605 Ca 0.03 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 2zuf h LEU 605 Cb 1.08 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 2zuf h LEU 605 CO 0.11 0.37 0.22 0.25 -1.08 0.00 0.00 178.44 178.32 2zuf h LEU 606 N 0.51 1.10 -1.45 1.67 5.85 -1.24 -0.93 115.31 120.82 2zuf h LEU 606 Ca 0.14 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2zuf h LEU 606 Cb -0.01 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2zuf h LEU 606 CO -0.03 1.02 -0.04 0.58 -0.34 0.00 0.00 178.44 179.64 2zuf h VAL 607 N 1.12 1.15 -0.32 1.05 2.07 -0.53 -0.56 116.25 120.24 2zuf h VAL 607 Ca 0.24 -0.63 -0.17 0.00 0.82 0.00 0.00 66.70 66.96 2zuf h VAL 607 Cb 0.32 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2zuf h VAL 607 CO -0.01 0.21 -0.48 0.24 0.02 0.00 0.00 177.57 177.55 2zuf h MET 608 N 0.31 0.87 -0.11 1.57 2.86 -0.20 -1.75 114.93 118.47 2zuf h MET 608 Ca 0.07 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 2zuf h MET 608 Cb 0.27 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2zuf h MET 608 CO 0.01 1.15 0.03 0.00 1.06 0.00 0.00 176.91 179.16 2zuf h ALA 609 N 0.76 0.14 -0.81 6.32 0.00 -0.51 -1.88 119.26 123.28 2zuf h ALA 609 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2zuf h ALA 609 Cb 1.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2zuf h ALA 609 CO 0.11 -0.24 0.47 0.28 0.00 0.00 0.00 179.25 179.87 2zuf h VAL 610 N -0.02 1.23 -0.19 0.00 2.07 -1.14 -1.22 116.25 116.98 2zuf h VAL 610 Ca 0.03 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2zuf h VAL 610 Cb 0.23 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2zuf h VAL 610 CO -0.00 0.25 0.12 -0.08 0.02 0.00 0.00 177.57 177.88 2zuf h GLU 611 N 1.12 0.24 -0.19 1.57 4.81 -1.17 0.12 114.58 121.07 2zuf h GLU 611 Ca 0.29 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2zuf h GLU 611 Cb -0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2zuf h GLU 611 CO -0.05 0.16 0.11 0.37 -0.73 0.00 0.00 179.01 178.87 2zuf h GLN 612 N 0.25 0.27 -0.46 1.92 5.75 -1.02 -0.98 115.11 120.84 2zuf h GLN 612 Ca 0.07 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 2zuf h GLN 612 Cb -0.02 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2zuf h GLN 612 CO -0.02 0.25 0.04 0.28 -2.65 0.00 0.00 178.83 176.73 2zuf h VAL 613 N 0.22 1.25 -0.89 2.39 2.07 -1.11 -0.63 116.25 119.56 2zuf h VAL 613 Ca 0.07 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2zuf h VAL 613 Cb 0.05 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2zuf h VAL 613 CO -0.01 0.34 0.55 -0.07 0.02 0.00 0.00 177.57 178.40 2zuf h LEU 614 N 0.63 1.05 -0.36 2.57 3.38 -0.89 0.59 115.31 122.28 2zuf h LEU 614 Ca 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2zuf h LEU 614 Cb 0.43 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2zuf h LEU 614 CO 0.01 0.79 0.14 0.50 0.09 0.00 0.00 178.44 179.98 2zuf h LYS 615 N 1.21 0.54 -0.46 1.13 3.64 -0.78 0.11 116.57 121.97 2zuf h LYS 615 Ca 0.32 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2zuf h LYS 615 Cb -0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2zuf h LYS 615 CO -0.06 0.54 0.08 -0.91 -2.27 0.00 0.00 179.45 176.83 2zuf h ASN 616 N 0.44 0.73 -0.26 4.20 4.21 -0.83 -0.10 115.58 123.96 2zuf h ASN 616 Ca 0.12 -0.25 0.03 0.00 1.21 0.00 0.00 56.30 57.41 2zuf h ASN 616 Cb 0.20 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 2zuf h ASN 616 CO -0.01 0.79 0.07 0.00 -1.29 0.00 0.00 177.43 176.99 2zuf h ALA 617 N 0.96 0.28 -0.80 -0.83 0.00 -0.65 -0.78 119.26 117.42 2zuf h ALA 617 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2zuf h ALA 617 Cb 0.37 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2zuf h ALA 617 CO 0.01 -0.35 0.46 -0.07 0.00 0.00 0.00 179.25 179.30 2zuf h LEU 618 N 0.18 0.99 -0.60 0.00 3.38 -0.54 -2.75 115.31 115.97 2zuf h LEU 618 Ca 0.12 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2zuf h LEU 618 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2zuf h LEU 618 CO -0.14 0.78 0.39 0.22 0.09 0.00 0.00 178.44 179.78 2zuf h TYR 619 N 1.11 0.74 -0.07 1.13 3.20 -0.29 0.48 116.97 123.27 2zuf h TYR 619 Ca 0.29 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2zuf h TYR 619 Cb -0.00 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 2zuf h TYR 619 CO -0.00 0.45 0.06 -0.07 -1.64 0.00 0.00 178.16 176.96 2zuf h LEU 620 N 0.79 0.00 -1.82 2.82 3.38 -0.88 0.21 115.31 119.82 2zuf h LEU 620 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2zuf h LEU 620 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2zuf h LEU 620 CO -0.06 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.70 2zuf n MET 621 N -4.11 2.16 -2.20 1.13 2.81 -0.45 -4.58 117.12 111.89 2zuf n MET 621 Ca -0.01 -1.79 -0.17 0.00 -1.81 0.00 0.00 57.70 53.92 2zuf n MET 621 Cb 0.16 -1.43 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 2zuf n MET 621 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2zuf n GLY 622 N 1.32 -0.03 3.52 3.03 0.00 0.75 -4.87 105.19 108.91 2zuf n GLY 622 Ca 0.18 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2zuf n GLY 622 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zuf s ILE 623 N -2.82 3.63 0.51 -0.61 1.01 0.03 -4.89 121.20 118.06 2zuf s ILE 623 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 2zuf s ILE 623 Cb 0.00 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 2zuf s ILE 623 CO 0.00 0.55 1.02 -1.61 0.00 0.00 0.00 174.94 174.91 2zuf s GLU 624 N -0.27 3.75 -0.63 2.79 2.02 -1.26 -3.66 118.70 121.45 2zuf s GLU 624 Ca 0.04 1.23 -0.02 0.00 0.02 0.00 0.00 54.97 56.24 2zuf s GLU 624 Cb -0.13 -2.10 0.16 0.00 0.10 0.00 0.00 34.13 32.17 2zuf s GLU 624 CO 0.03 -0.45 0.44 0.00 0.02 0.00 0.00 175.26 175.29 2zuf s ALA 625 N -2.21 3.58 0.28 5.21 0.00 -1.26 -4.92 121.76 122.43 2zuf s ALA 625 Ca 0.64 -3.29 -0.30 0.00 0.00 0.00 0.00 51.96 49.02 2zuf s ALA 625 Cb -0.14 -2.63 -0.12 0.00 0.00 0.00 0.00 23.12 20.22 2zuf s ALA 625 CO 0.25 -2.11 1.59 -2.30 0.00 0.00 0.00 175.76 173.19 2zuf n PRO 626 N 3.42 2.63 0.04 0.00 -0.02 -1.26 -4.89 135.00 134.93 2zuf n PRO 626 Ca 0.08 0.94 0.13 0.00 -2.02 0.00 0.00 63.50 62.63 2zuf n PRO 626 Cb 0.37 -2.71 0.40 0.00 -0.02 0.00 0.00 33.50 31.54 2zuf n PRO 626 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2zuf n GLU 627 N 2.33 0.13 -3.71 -0.52 1.02 -1.26 -3.51 120.64 115.13 2zuf n GLU 627 Ca 0.10 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 2zuf n GLU 627 Cb 0.36 -1.62 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 2zuf n GLU 627 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2zuf s ARG 628 N -3.06 0.27 0.00 3.49 3.52 -1.26 -4.22 118.95 117.69 2zuf s ARG 628 Ca 0.11 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 2zuf s ARG 628 Cb 0.16 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 2zuf s ARG 628 CO 0.62 -0.17 0.22 -1.33 -0.81 0.00 0.00 175.30 173.82