#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wo0 n MET 7 N 0.00 0.00 -3.45 -1.40 2.81 -1.26 -3.90 117.12 109.92 2wo0 n MET 7 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 2wo0 n MET 7 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 2wo0 n MET 7 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wo0 s VAL 8 N -1.99 0.00 -0.23 2.03 0.11 -0.83 -4.91 120.40 114.57 2wo0 s VAL 8 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2wo0 s VAL 8 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2wo0 s VAL 8 CO 0.00 0.00 1.57 -2.16 -3.33 0.00 0.00 175.10 171.18 2wo0 s PRO 9 N -3.12 3.82 0.11 1.54 0.04 -1.26 -0.63 135.00 135.50 2wo0 s PRO 9 Ca -0.01 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2wo0 s PRO 9 Cb -0.01 -4.01 -0.10 0.00 0.04 0.00 0.00 34.50 30.42 2wo0 s PRO 9 CO -0.08 -1.26 1.58 1.98 0.04 0.00 0.00 177.00 179.27 2wo0 h MET 10 N 10.49 -0.63 -0.57 4.56 4.05 -1.50 -2.13 114.93 129.20 2wo0 h MET 10 Ca -0.32 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.24 2wo0 h MET 10 Cb 1.14 0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 32.01 2wo0 h MET 10 CO 1.01 -0.42 0.15 0.22 0.23 0.00 0.00 176.91 178.10 2wo0 h ASP 11 N -0.65 0.07 0.00 1.39 3.58 -1.92 -2.28 116.42 116.61 2wo0 h ASP 11 Ca 0.02 0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.37 2wo0 h ASP 11 Cb 0.68 0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.87 2wo0 h ASP 11 CO -0.26 0.05 -0.78 0.50 -2.88 0.00 0.00 179.24 175.87 2wo0 h LYS 12 N 0.29 0.52 -0.86 0.28 3.64 -1.90 -2.68 116.57 115.87 2wo0 h LYS 12 Ca 0.29 -0.57 0.05 0.00 -1.27 0.00 0.00 60.65 59.16 2wo0 h LYS 12 Cb 0.41 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 2wo0 h LYS 12 CO -0.35 1.20 0.56 1.15 -2.27 0.00 0.00 179.45 179.73 2wo0 h THR 13 N 0.09 1.09 -0.07 1.00 2.02 -1.19 -1.81 112.91 114.03 2wo0 h THR 13 Ca -0.10 -0.34 -0.24 0.00 0.77 0.00 0.00 66.41 66.50 2wo0 h THR 13 Cb 1.47 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2wo0 h THR 13 CO 0.15 0.18 -0.89 -0.07 0.37 0.00 0.00 175.52 175.26 2wo0 h LEU 14 N 1.00 0.83 -0.15 2.58 3.38 -1.43 -1.06 115.31 120.46 2wo0 h LEU 14 Ca 0.36 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2wo0 h LEU 14 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wo0 h LEU 14 CO -0.12 1.40 0.01 0.11 0.09 0.00 0.00 178.44 179.92 2wo0 h LYS 15 N 0.42 0.06 -0.28 1.13 6.56 -1.31 0.15 116.57 123.30 2wo0 h LYS 15 Ca -0.08 -0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.57 2wo0 h LYS 15 Cb 1.52 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 33.10 2wo0 h LYS 15 CO 0.17 0.04 -0.24 0.93 -2.06 0.00 0.00 179.45 178.29 2wo0 h GLU 16 N 0.06 -0.22 0.00 3.15 4.39 -1.17 -1.40 114.58 119.39 2wo0 h GLU 16 Ca 0.07 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2wo0 h GLU 16 Cb 0.08 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2wo0 h GLU 16 CO -0.11 -0.15 -0.08 0.35 -1.16 0.00 0.00 179.01 177.86 2wo0 h PHE 17 N -0.23 0.00 0.00 4.33 3.57 -0.93 -3.46 116.94 120.21 2wo0 h PHE 17 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2wo0 h PHE 17 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2wo0 h PHE 17 CO -0.41 0.08 0.00 0.41 -2.23 0.00 0.00 178.31 176.16 2wo0 n GLY 18 N -1.15 1.29 3.87 2.40 0.00 0.32 -5.07 105.19 106.85 2wo0 n GLY 18 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2wo0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 19 N -2.00 3.76 0.25 4.61 0.00 -0.09 -4.87 121.76 123.41 2wo0 s ALA 19 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2wo0 s ALA 19 Cb 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 2wo0 s ALA 19 CO 0.00 0.58 1.10 0.34 0.00 0.00 0.00 175.76 177.79 2wo0 s ASP 20 N -1.69 7.26 -0.23 0.00 2.15 0.11 -4.29 116.67 119.98 2wo0 s ASP 20 Ca 0.31 2.22 0.01 0.00 0.43 0.00 0.00 52.55 55.51 2wo0 s ASP 20 Cb -0.14 -2.62 0.05 0.00 -0.30 0.00 0.00 42.92 39.92 2wo0 s ASP 20 CO 0.17 -0.17 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.23 2wo0 s VAL 21 N -0.84 1.67 -0.18 1.11 1.01 -1.26 -2.10 120.40 119.80 2wo0 s VAL 21 Ca 0.46 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2wo0 s VAL 21 Cb -0.31 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2wo0 s VAL 21 CO 0.39 -0.00 -0.01 -1.10 0.00 0.00 0.00 175.10 174.38 2wo0 s GLN 22 N 1.35 3.67 -0.17 2.72 1.11 -0.51 -4.99 119.66 122.84 2wo0 s GLN 22 Ca -0.05 -0.50 -0.06 0.00 0.01 0.00 0.00 55.36 54.75 2wo0 s GLN 22 Cb -0.18 -3.04 -0.04 0.00 -1.01 0.00 0.00 33.01 28.74 2wo0 s GLN 22 CO -0.07 0.11 0.04 -0.46 0.01 0.00 0.00 175.29 174.93 2wo0 s TRP 23 N 0.74 3.22 -0.30 0.91 -0.00 -1.26 -0.77 118.94 121.47 2wo0 s TRP 23 Ca -0.00 0.04 0.02 0.00 -0.00 0.00 0.00 56.10 56.15 2wo0 s TRP 23 Cb -0.14 -2.03 0.07 0.00 -0.00 0.00 0.00 33.47 31.37 2wo0 s TRP 23 CO 0.02 0.17 -0.01 0.34 -0.00 0.00 0.00 176.95 177.46 2wo0 s ASP 24 N 0.22 4.70 0.25 5.86 -1.08 -0.21 -4.98 116.67 121.43 2wo0 s ASP 24 Ca 0.03 -1.64 0.01 0.00 -0.52 0.00 0.00 52.55 50.42 2wo0 s ASP 24 Cb -0.13 -1.63 0.30 0.00 -1.46 0.00 0.00 42.92 40.01 2wo0 s ASP 24 CO 0.01 -0.29 1.64 -0.78 0.52 0.00 0.00 175.17 176.27 2wo0 h ASP 25 N 7.80 0.52 -0.04 -0.34 3.58 -1.96 0.96 116.42 126.94 2wo0 h ASP 25 Ca -0.15 -0.21 -0.15 0.00 0.42 0.00 0.00 57.03 56.94 2wo0 h ASP 25 Cb 1.04 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.96 2wo0 h ASP 25 CO 0.51 0.83 -0.56 0.22 -2.88 0.00 0.00 179.24 177.37 2wo0 h TYR 26 N 0.42 0.64 -0.00 0.28 3.20 -1.97 -3.14 116.97 116.40 2wo0 h TYR 26 Ca 0.05 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2wo0 h TYR 26 Cb 0.82 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2wo0 h TYR 26 CO 0.03 1.12 -0.24 0.00 -1.64 0.00 0.00 178.16 177.42 2wo0 n ALA 27 N -2.57 2.95 -3.54 1.82 0.00 -1.12 -4.96 120.51 113.09 2wo0 n ALA 27 Ca -0.09 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 2wo0 n ALA 27 Cb 0.64 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.85 2wo0 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wo0 n GLN 28 N -1.40 -1.52 -3.72 0.00 1.13 0.33 -4.96 117.38 107.24 2wo0 n GLN 28 Ca 0.08 0.61 -0.12 0.00 -1.94 0.00 0.00 57.00 55.63 2wo0 n GLN 28 Cb 0.33 -4.64 -0.12 0.00 0.11 0.00 0.00 30.24 25.92 2wo0 n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2wo0 s LEU 29 N -6.05 0.29 0.02 1.08 2.96 -0.71 -4.41 118.68 111.86 2wo0 s LEU 29 Ca 0.45 0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 54.91 2wo0 s LEU 29 Cb -0.13 1.07 -0.06 0.00 0.50 0.00 0.00 46.19 47.57 2wo0 s LEU 29 CO 0.82 -0.16 0.45 -0.36 -1.32 0.00 0.00 176.35 175.78 2wo0 s PHE 30 N 1.05 3.75 -0.19 5.38 0.08 0.12 -1.05 117.98 127.12 2wo0 s PHE 30 Ca -0.07 1.07 0.01 0.00 0.12 0.00 0.00 56.93 58.06 2wo0 s PHE 30 Cb -0.08 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 2wo0 s PHE 30 CO -0.08 0.63 -0.17 0.99 -0.10 0.00 0.00 175.22 176.49 2wo0 s THR 31 N -1.09 2.23 -0.04 0.64 2.01 0.05 -1.53 115.64 117.91 2wo0 s THR 31 Ca 0.25 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2wo0 s THR 31 Cb -0.17 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2wo0 s THR 31 CO 0.15 0.46 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.60 2wo0 s LEU 32 N 1.29 2.54 0.00 4.42 1.43 0.12 -1.42 118.68 127.07 2wo0 s LEU 32 Ca 0.04 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2wo0 s LEU 32 Cb -0.14 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2wo0 s LEU 32 CO -0.11 0.33 -0.07 -0.63 0.23 0.00 0.00 176.35 176.11 2wo0 s ILE 33 N -0.67 0.50 -0.30 -0.59 1.01 -0.89 -0.02 121.20 120.24 2wo0 s ILE 33 Ca 0.10 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2wo0 s ILE 33 Cb -0.11 -0.45 0.18 0.00 0.01 0.00 0.00 42.46 42.09 2wo0 s ILE 33 CO 0.00 0.05 0.95 -0.75 0.00 0.00 0.00 174.94 175.20 2wo0 s LYS 34 N -0.39 0.28 3.90 2.79 2.47 -0.61 -0.71 119.74 127.47 2wo0 s LYS 34 Ca 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 2wo0 s LYS 34 Cb -0.04 0.30 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 2wo0 s LYS 34 CO -0.00 -0.27 0.00 -0.25 0.16 0.00 0.00 175.35 174.99 2wo0 n ASP 35 N 5.39 0.00 0.00 1.43 8.00 -1.26 -1.35 116.55 128.76 2wo0 n ASP 35 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2wo0 n ASP 35 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 2wo0 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wo0 n GLY 36 N 0.00 -0.06 3.60 0.44 0.00 -1.26 -4.67 105.19 103.23 2wo0 n GLY 36 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2wo0 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 37 N -2.09 3.54 -0.28 4.61 0.00 -0.46 -4.51 121.76 122.58 2wo0 s ALA 37 Ca 0.01 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2wo0 s ALA 37 Cb 0.00 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.66 2wo0 s ALA 37 CO 0.01 -0.55 -0.07 -0.47 0.00 0.00 0.00 175.76 174.68 2wo0 s TYR 38 N 1.78 3.28 -0.06 0.00 6.14 -1.26 -1.58 117.35 125.64 2wo0 s TYR 38 Ca 0.09 -2.18 0.06 0.00 0.64 0.00 0.00 57.07 55.68 2wo0 s TYR 38 Cb -0.16 -2.01 -0.01 0.00 0.42 0.00 0.00 41.96 40.20 2wo0 s TYR 38 CO 0.10 -0.85 -0.24 0.08 0.64 0.00 0.00 175.55 175.28 2wo0 s VAL 39 N 1.15 2.14 -0.11 3.14 1.01 0.97 -1.54 120.40 127.17 2wo0 s VAL 39 Ca -0.07 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2wo0 s VAL 39 Cb -0.20 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2wo0 s VAL 39 CO -0.04 0.57 -0.18 -0.54 0.00 0.00 0.00 175.10 174.92 2wo0 s LYS 40 N -0.18 2.47 0.00 2.72 1.02 -0.17 0.16 119.74 125.76 2wo0 s LYS 40 Ca -0.03 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 2wo0 s LYS 40 Cb -0.14 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2wo0 s LYS 40 CO 0.04 0.00 0.01 0.54 -0.92 0.00 0.00 175.35 175.02 2wo0 s VAL 41 N 0.80 0.04 -0.12 3.17 0.11 -0.58 -0.79 120.40 123.02 2wo0 s VAL 41 Ca -0.10 -0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2wo0 s VAL 41 Cb -0.16 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 2wo0 s VAL 41 CO 0.01 -0.16 0.01 -0.54 -3.33 0.00 0.00 175.10 171.09 2wo0 s LYS 42 N -0.47 3.38 0.27 1.54 1.02 -1.26 0.13 119.74 124.35 2wo0 s LYS 42 Ca -0.05 -0.41 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 2wo0 s LYS 42 Cb -0.03 -2.93 -0.14 0.00 -0.52 0.00 0.00 37.83 34.21 2wo0 s LYS 42 CO -0.00 0.50 0.97 -2.30 -0.92 0.00 0.00 175.35 173.61 2wo0 n PRO 43 N 2.76 1.21 -0.74 -1.68 -0.02 -1.26 -0.70 135.00 134.57 2wo0 n PRO 43 Ca -0.18 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2wo0 n PRO 43 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2wo0 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wo0 n GLY 44 N 1.35 0.07 3.82 -1.23 0.00 0.53 -4.91 105.19 104.82 2wo0 n GLY 44 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2wo0 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 45 N -1.19 3.01 0.08 4.61 0.00 0.13 -4.93 121.76 123.46 2wo0 s ALA 45 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.41 2wo0 s ALA 45 Cb 0.00 -3.16 -0.23 0.00 0.00 0.00 0.00 23.12 19.73 2wo0 s ALA 45 CO 0.00 -0.00 1.12 1.96 0.00 0.00 0.00 175.76 178.84 2wo0 h GLN 46 N 1.70 0.07 -6.49 0.00 1.08 -1.88 -3.40 115.11 106.19 2wo0 h GLN 46 Ca -0.49 -0.12 -0.63 0.00 -1.45 0.00 0.00 58.65 55.96 2wo0 h GLN 46 Cb 1.19 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 28.51 2wo0 h GLN 46 CO 0.61 0.97 -0.75 0.95 -0.95 0.00 0.00 178.83 179.65 2wo0 s THR 47 N -2.67 2.94 0.45 -0.54 -4.23 -1.26 0.55 115.64 110.88 2wo0 s THR 47 Ca -0.02 -1.77 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 2wo0 s THR 47 Cb 0.09 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 2wo0 s THR 47 CO 0.83 -0.12 0.26 0.00 -0.54 0.00 0.00 174.62 175.05 2wo0 s ALA 48 N -1.71 3.90 -0.12 3.99 0.00 0.15 -4.65 121.76 123.32 2wo0 s ALA 48 Ca 0.24 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2wo0 s ALA 48 Cb -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2wo0 s ALA 48 CO 0.14 -0.23 -0.21 0.42 0.00 0.00 0.00 175.76 175.88 2wo0 s ILE 49 N -2.63 1.89 -0.18 0.00 -1.09 0.03 -0.49 121.20 118.72 2wo0 s ILE 49 Ca 0.39 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2wo0 s ILE 49 Cb 0.01 -1.67 0.03 0.00 -1.58 0.00 0.00 42.46 39.25 2wo0 s ILE 49 CO 0.22 0.52 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.60 2wo0 s VAL 50 N 0.72 1.84 -1.63 2.92 1.01 -0.42 -1.00 120.40 123.83 2wo0 s VAL 50 Ca -0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 2wo0 s VAL 50 Cb -0.16 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.59 2wo0 s VAL 50 CO 0.01 0.41 0.63 0.59 0.00 0.00 0.00 175.10 176.75 2wo0 n ASN 51 N 4.67 -2.21 0.00 3.32 4.13 -0.59 -0.35 115.26 124.22 2wo0 n ASN 51 Ca -0.18 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.04 2wo0 n ASN 51 Cb 0.49 -2.70 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 2wo0 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wo0 n GLY 52 N -1.61 1.82 3.56 7.41 0.00 -1.23 -4.64 105.19 110.50 2wo0 n GLY 52 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2wo0 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wo0 s GLN 53 N -0.35 3.63 0.48 1.61 -1.52 0.52 -5.08 119.66 118.94 2wo0 s GLN 53 Ca 0.00 -0.47 -0.22 0.00 -1.95 0.00 0.00 55.36 52.73 2wo0 s GLN 53 Cb 0.00 -2.96 -0.07 0.00 -0.22 0.00 0.00 33.01 29.76 2wo0 s GLN 53 CO 0.00 0.32 1.14 -1.25 -0.25 0.00 0.00 175.29 175.25 2wo0 s PRO 54 N 0.16 3.68 -0.04 2.91 0.04 -1.26 -1.31 135.00 139.19 2wo0 s PRO 54 Ca 0.00 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2wo0 s PRO 54 Cb -0.13 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.14 2wo0 s PRO 54 CO 0.02 -0.60 -0.05 -1.17 0.04 0.00 0.00 177.00 175.25 2wo0 s LEU 55 N -3.23 1.46 0.07 -3.56 2.96 0.35 -4.88 118.68 111.84 2wo0 s LEU 55 Ca 0.66 -0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 54.14 2wo0 s LEU 55 Cb -0.26 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.95 2wo0 s LEU 55 CO 0.31 -0.03 1.09 0.00 -1.32 0.00 0.00 176.35 176.40 2wo0 s ALA 56 N 0.71 3.30 -0.16 5.97 0.00 -1.26 0.29 121.76 130.61 2wo0 s ALA 56 Ca -0.09 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2wo0 s ALA 56 Cb -0.12 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2wo0 s ALA 56 CO 0.00 -0.29 -0.04 -0.51 0.00 0.00 0.00 175.76 174.92 2wo0 s LEU 57 N 0.70 3.20 -0.01 0.00 1.43 0.19 -4.88 118.68 119.31 2wo0 s LEU 57 Ca 0.54 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 53.24 2wo0 s LEU 57 Cb -0.26 -1.77 -0.19 0.00 0.03 0.00 0.00 46.19 44.00 2wo0 s LEU 57 CO 0.30 0.16 1.26 -0.61 0.23 0.00 0.00 176.35 177.69 2wo0 h GLN 58 N 6.76 -0.11 -4.57 1.70 4.15 -1.97 -3.42 115.11 117.66 2wo0 h GLN 58 Ca -0.31 0.01 -0.71 0.00 0.77 0.00 0.00 58.65 58.41 2wo0 h GLN 58 Cb 1.19 0.02 -0.24 0.00 0.21 0.00 0.00 27.48 28.66 2wo0 h GLN 58 CO 0.62 0.30 -0.50 0.08 -1.93 0.00 0.00 178.83 177.40 2wo0 s VAL 59 N -4.43 4.61 0.63 2.39 1.01 -1.26 -5.07 120.40 118.27 2wo0 s VAL 59 Ca -0.15 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2wo0 s VAL 59 Cb 0.02 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2wo0 s VAL 59 CO 0.63 -0.27 1.04 -2.16 0.00 0.00 0.00 175.10 174.33 2wo0 s PRO 60 N 1.55 3.42 0.29 2.72 0.05 -1.26 -4.71 135.00 137.06 2wo0 s PRO 60 Ca 0.02 0.87 -0.29 0.00 0.05 0.00 0.00 61.00 61.65 2wo0 s PRO 60 Cb -0.19 -2.06 -0.11 0.00 0.05 0.00 0.00 34.50 32.19 2wo0 s PRO 60 CO 0.07 -0.71 1.46 0.08 0.05 0.00 0.00 177.00 177.95 2wo0 s VAL 61 N -3.02 2.42 -0.15 -0.36 1.01 -1.26 -4.70 120.40 114.34 2wo0 s VAL 61 Ca 0.57 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 2wo0 s VAL 61 Cb -0.12 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2wo0 s VAL 61 CO 0.50 0.07 -0.08 -0.69 0.00 0.00 0.00 175.10 174.91 2wo0 s VAL 62 N -0.37 3.49 -0.22 2.92 1.01 -0.35 0.20 120.40 127.08 2wo0 s VAL 62 Ca 0.58 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2wo0 s VAL 62 Cb -0.44 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2wo0 s VAL 62 CO 0.49 0.50 0.13 -0.32 0.00 0.00 0.00 175.10 175.90 2wo0 s MET 63 N 0.44 4.05 -0.35 2.72 1.75 -1.26 0.38 119.30 127.03 2wo0 s MET 63 Ca -0.06 -0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 54.09 2wo0 s MET 63 Cb -0.15 -3.43 0.14 0.00 2.84 0.00 0.00 34.83 34.23 2wo0 s MET 63 CO 0.04 0.14 0.22 0.21 -0.65 0.00 0.00 175.02 174.97 2wo0 s LYS 64 N 0.80 0.53 -0.75 4.11 2.20 0.34 -4.87 119.74 122.10 2wo0 s LYS 64 Ca 0.07 -1.25 -0.04 0.00 -0.36 0.00 0.00 55.97 54.39 2wo0 s LYS 64 Cb -0.13 -1.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 2wo0 s LYS 64 CO 0.02 -1.20 0.66 -0.25 -0.36 0.00 0.00 175.35 174.22 2wo0 n ASP 65 N 4.13 -4.92 -1.06 1.43 8.00 -1.26 -3.11 116.55 119.77 2wo0 n ASP 65 Ca 0.11 -0.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.98 2wo0 n ASP 65 Cb 0.38 -3.82 -0.06 0.00 -0.02 0.00 0.00 41.12 37.60 2wo0 n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wo0 n ASN 66 N -2.70 -5.58 -4.06 -2.24 3.02 -1.26 -4.96 115.26 97.49 2wo0 n ASN 66 Ca -0.07 0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.53 2wo0 n ASN 66 Cb 0.59 -4.29 -0.17 0.00 -0.61 0.00 0.00 39.78 35.30 2wo0 n ASN 66 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wo0 s LYS 67 N -3.14 2.31 0.11 3.52 1.02 -1.18 -5.12 119.74 117.25 2wo0 s LYS 67 Ca 0.00 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.14 2wo0 s LYS 67 Cb 0.00 -2.00 -0.07 0.00 -0.52 0.00 0.00 37.83 35.24 2wo0 s LYS 67 CO 0.00 -0.11 0.81 0.00 -0.92 0.00 0.00 175.35 175.13 2wo0 s ALA 68 N 1.12 3.38 -0.03 5.17 0.00 -1.26 -0.50 121.76 129.65 2wo0 s ALA 68 Ca -0.03 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2wo0 s ALA 68 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.95 2wo0 s ALA 68 CO -0.04 0.14 -0.08 -1.58 0.00 0.00 0.00 175.76 174.21 2wo0 s TRP 69 N -0.51 0.84 0.19 0.00 0.52 0.16 -1.27 118.94 118.87 2wo0 s TRP 69 Ca 0.39 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.37 2wo0 s TRP 69 Cb -0.22 -0.62 -0.05 0.00 -1.15 0.00 0.00 33.47 31.43 2wo0 s TRP 69 CO 0.26 -0.11 -0.14 0.14 0.02 0.00 0.00 176.95 177.12 2wo0 s VAL 70 N 0.30 1.61 0.67 4.03 -7.23 0.20 -1.21 120.40 118.77 2wo0 s VAL 70 Ca -0.04 -2.15 -0.17 0.00 -1.81 0.00 0.00 61.98 57.80 2wo0 s VAL 70 Cb -0.09 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 2wo0 s VAL 70 CO 0.00 -0.61 1.24 -0.24 -0.31 0.00 0.00 175.10 175.18 2wo0 n SER 71 N -0.28 1.77 0.00 4.85 2.88 -1.26 -1.97 113.62 119.61 2wo0 n SER 71 Ca -0.09 0.79 0.03 0.00 -1.33 0.00 0.00 58.87 58.27 2wo0 n SER 71 Cb 0.60 -1.53 0.14 0.00 -0.75 0.00 0.00 64.21 62.67 2wo0 n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wo0 n ASP 72 N -1.95 0.00 -0.49 -3.46 5.75 -1.25 -1.64 116.55 113.50 2wo0 n ASP 72 Ca 0.15 0.42 0.05 0.00 -0.01 0.00 0.00 54.79 55.40 2wo0 n ASP 72 Cb 0.48 -0.44 0.09 0.00 -1.03 0.00 0.00 41.12 40.22 2wo0 n ASP 72 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wo0 n THR 73 N -1.44 0.57 -0.16 2.12 -2.24 -1.26 -4.69 114.28 107.17 2wo0 n THR 73 Ca 0.02 -0.78 -0.05 0.00 -2.27 0.00 0.00 64.05 60.97 2wo0 n THR 73 Cb 0.07 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.12 2wo0 n THR 73 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2wo0 h PHE 74 N 1.84 -0.66 -0.85 4.78 3.04 -1.66 0.16 116.94 123.60 2wo0 h PHE 74 Ca 0.00 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2wo0 h PHE 74 Cb 0.58 0.37 -0.04 0.00 2.56 0.00 0.00 35.95 39.41 2wo0 h PHE 74 CO 0.12 -0.33 0.48 0.82 -2.02 0.00 0.00 178.31 177.38 2wo0 h ILE 75 N -0.13 1.24 -0.17 1.41 2.04 -1.84 0.13 117.51 120.19 2wo0 h ILE 75 Ca 0.23 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2wo0 h ILE 75 Cb 0.50 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2wo0 h ILE 75 CO -0.59 0.27 -0.02 0.78 0.00 0.00 0.00 178.15 178.58 2wo0 h ASN 76 N 1.18 0.32 -0.82 1.72 2.35 -1.75 -1.87 115.58 116.71 2wo0 h ASN 76 Ca 0.30 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2wo0 h ASN 76 Cb -0.00 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 2wo0 h ASN 76 CO -0.05 0.58 0.54 0.44 -1.65 0.00 0.00 177.43 177.29 2wo0 h ASP 77 N 0.05 0.85 0.00 5.81 3.32 0.32 -1.48 116.42 125.29 2wo0 h ASP 77 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2wo0 h ASP 77 Cb 0.43 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2wo0 h ASP 77 CO 0.01 0.58 -0.11 0.58 -1.72 0.00 0.00 179.24 178.57 2wo0 h VAL 78 N 0.98 0.00 -0.16 -1.35 2.07 -0.80 -3.26 116.25 113.73 2wo0 h VAL 78 Ca 0.34 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2wo0 h VAL 78 Cb 0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2wo0 h VAL 78 CO -0.11 0.00 -0.21 -0.26 0.02 0.00 0.00 177.57 177.01 2wo0 h PHE 79 N -0.56 0.53 0.00 1.57 0.04 -1.42 -1.17 116.94 115.93 2wo0 h PHE 79 Ca 0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2wo0 h PHE 79 Cb 0.11 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2wo0 h PHE 79 CO -0.05 0.84 0.00 1.04 -0.60 0.00 0.00 178.31 179.54 2wo0 n GLN 80 N -4.46 0.10 -0.18 1.51 3.00 -0.56 -4.20 117.38 112.58 2wo0 n GLN 80 Ca -0.06 0.09 -0.02 0.00 -0.01 0.00 0.00 57.00 57.00 2wo0 n GLN 80 Cb 0.41 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 29.24 2wo0 n GLN 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2wo0 h SER 81 N 0.00 0.20 0.00 1.08 4.64 -1.22 -3.47 113.55 114.78 2wo0 h SER 81 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2wo0 h SER 81 Cb 0.01 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2wo0 h SER 81 CO 0.00 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 2wo0 n GLY 82 N -1.28 2.37 0.26 -0.77 0.00 -1.26 -4.94 105.19 99.57 2wo0 n GLY 82 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 2wo0 n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wo0 h LEU 83 N 0.00 0.00 -8.34 0.99 3.38 -1.89 -3.35 115.31 106.09 2wo0 h LEU 83 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2wo0 h LEU 83 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 2wo0 h LEU 83 CO 0.00 0.00 0.64 -0.62 0.09 0.00 0.00 178.44 178.55 2wo0 s ASP 84 N -5.76 6.22 -0.03 -0.43 2.15 -1.26 -4.73 116.67 112.83 2wo0 s ASP 84 Ca 0.03 -0.70 0.17 0.00 0.43 0.00 0.00 52.55 52.47 2wo0 s ASP 84 Cb 0.08 -2.45 0.55 0.00 -0.30 0.00 0.00 42.92 40.80 2wo0 s ASP 84 CO 0.57 -1.45 1.45 0.00 -0.17 0.00 0.00 175.17 175.56 2wo0 n GLN 85 N 7.94 2.66 -0.20 4.34 6.02 -1.26 -4.45 117.38 132.44 2wo0 n GLN 85 Ca -0.01 -2.20 -0.03 0.00 -0.01 0.00 0.00 57.00 54.75 2wo0 n GLN 85 Cb 0.47 -1.57 0.07 0.00 1.02 0.00 0.00 30.24 30.23 2wo0 n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2wo0 h THR 86 N 3.42 0.97 -3.31 5.09 2.02 -1.90 -3.39 112.91 115.81 2wo0 h THR 86 Ca 0.00 -0.20 -0.61 0.00 0.77 0.00 0.00 66.41 66.37 2wo0 h THR 86 Cb 0.94 0.33 -0.15 0.00 -1.74 0.00 0.00 68.15 67.53 2wo0 h THR 86 CO 0.06 0.11 -0.54 -0.36 0.37 0.00 0.00 175.52 175.16 2wo0 s PHE 87 N -6.12 3.30 0.11 3.16 0.08 -1.26 0.27 117.98 117.52 2wo0 s PHE 87 Ca -0.13 0.15 0.10 0.00 0.12 0.00 0.00 56.93 57.17 2wo0 s PHE 87 Cb 0.15 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2wo0 s PHE 87 CO 0.75 0.18 -0.25 -0.65 -0.10 0.00 0.00 175.22 175.14 2wo0 s GLN 88 N 0.45 1.37 0.32 0.44 -1.52 -0.51 -4.96 119.66 115.25 2wo0 s GLN 88 Ca 0.05 -1.24 -0.17 0.00 -1.95 0.00 0.00 55.36 52.05 2wo0 s GLN 88 Cb -0.12 -1.74 -0.09 0.00 -0.22 0.00 0.00 33.01 30.84 2wo0 s GLN 88 CO -0.00 0.42 0.77 0.14 -0.25 0.00 0.00 175.29 176.37 2wo0 s VAL 89 N -1.04 4.60 -0.16 1.09 -7.23 -1.26 -2.43 120.40 113.97 2wo0 s VAL 89 Ca 0.11 1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 61.13 2wo0 s VAL 89 Cb -0.10 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2wo0 s VAL 89 CO 0.05 -0.12 0.88 -0.70 -0.31 0.00 0.00 175.10 174.89 2wo0 s GLU 90 N -2.80 4.32 0.00 4.82 2.12 -1.26 -4.82 118.70 121.08 2wo0 s GLU 90 Ca 0.53 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.98 2wo0 s GLU 90 Cb -0.11 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2wo0 s GLU 90 CO 0.18 -0.34 0.94 1.63 -0.54 0.00 0.00 175.26 177.13 2wo0 n LYS 91 N 5.23 0.00 -3.73 4.30 4.01 -1.26 -4.66 118.16 122.06 2wo0 n LYS 91 Ca 0.06 0.48 -0.37 0.00 -0.51 0.00 0.00 58.31 57.96 2wo0 n LYS 91 Cb 0.49 -1.44 -0.12 0.00 -0.51 0.00 0.00 35.03 33.44 2wo0 n LYS 91 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wo0 s ARG 92 N -2.75 3.58 -0.07 1.97 0.52 -1.26 -5.04 118.95 115.91 2wo0 s ARG 92 Ca 0.00 -0.53 -0.35 0.00 -0.52 0.00 0.00 55.73 54.33 2wo0 s ARG 92 Cb 0.00 -3.39 -0.12 0.00 0.52 0.00 0.00 34.95 31.95 2wo0 s ARG 92 CO 0.00 -0.24 1.82 -0.35 0.02 0.00 0.00 175.30 176.55 2wo0 n PRO 93 N 4.94 2.08 -1.59 3.54 -0.04 -1.26 -4.90 135.00 137.77 2wo0 n PRO 93 Ca -0.15 0.76 -0.40 0.00 -0.04 0.00 0.00 63.50 63.67 2wo0 n PRO 93 Cb 0.51 -2.58 0.02 0.00 -0.04 0.00 0.00 33.50 31.41 2wo0 n PRO 93 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2wo0 n HIS 94 N 6.05 0.86 0.66 0.54 -0.00 -1.26 -4.90 115.22 117.17 2wo0 n HIS 94 Ca 0.22 0.51 0.12 0.00 0.46 0.00 0.00 57.72 59.03 2wo0 n HIS 94 Cb 0.28 -2.17 0.47 0.00 -0.12 0.00 0.00 29.99 28.44 2wo0 n HIS 94 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2wo0 n PRO 95 N -0.16 0.13 -0.17 1.57 -0.04 -1.26 -2.82 135.00 132.24 2wo0 n PRO 95 Ca 0.11 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2wo0 n PRO 95 Cb 0.42 -1.68 0.20 0.00 -0.04 0.00 0.00 33.50 32.40 2wo0 n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wo0 n LEU 96 N -1.91 3.41 -4.66 1.53 4.77 -1.26 -4.79 117.00 114.09 2wo0 n LEU 96 Ca 0.05 -1.43 -0.41 0.00 -0.03 0.00 0.00 56.01 54.19 2wo0 n LEU 96 Cb 0.31 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2wo0 n LEU 96 CO 0.24 0.71 0.76 0.59 -1.33 0.00 0.00 177.39 178.36 2wo0 n ASN 97 N 1.48 2.00 -4.66 -1.43 3.02 -1.13 -4.93 115.26 109.62 2wo0 n ASN 97 Ca 0.19 1.08 -0.29 0.00 -0.03 0.00 0.00 54.58 55.52 2wo0 n ASN 97 Cb 0.61 -1.44 0.17 0.00 -0.61 0.00 0.00 39.78 38.51 2wo0 n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wo0 s ALA 98 N -1.23 1.03 0.22 5.41 0.00 -1.26 -4.92 121.76 121.01 2wo0 s ALA 98 Ca 0.62 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 52.23 2wo0 s ALA 98 Cb -0.53 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 2wo0 s ALA 98 CO 0.57 -2.79 1.55 1.28 0.00 0.00 0.00 175.76 176.37 2wo0 n LEU 99 N -4.19 3.48 -4.91 0.00 4.77 -1.26 -4.99 117.00 109.91 2wo0 n LEU 99 Ca 0.06 1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 56.87 2wo0 n LEU 99 Cb 0.55 -1.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.24 2wo0 n LEU 99 CO 0.55 -0.20 0.75 0.42 -1.33 0.00 0.00 177.39 177.58 2wo0 s THR 100 N 0.44 2.17 0.26 -5.08 -4.23 -1.26 -4.82 115.64 103.13 2wo0 s THR 100 Ca 0.72 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 2wo0 s THR 100 Cb -0.61 -3.03 0.24 0.00 1.34 0.00 0.00 72.50 70.44 2wo0 s THR 100 CO 0.43 -0.04 1.78 0.00 -0.54 0.00 0.00 174.62 176.25 2wo0 h ALA 101 N -0.92 1.29 -0.13 3.99 0.00 -1.94 0.10 119.26 121.64 2wo0 h ALA 101 Ca -0.46 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2wo0 h ALA 101 Cb 1.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2wo0 h ALA 101 CO 0.65 -0.00 0.02 -0.44 0.00 0.00 0.00 179.25 179.47 2wo0 h ASP 102 N 0.71 0.22 -0.80 0.00 3.32 -1.98 0.16 116.42 118.05 2wo0 h ASP 102 Ca 0.45 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.30 2wo0 h ASP 102 Cb 0.56 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 2wo0 h ASP 102 CO -0.32 0.44 0.47 -0.33 -1.72 0.00 0.00 179.24 177.78 2wo0 h GLU 103 N -0.01 0.82 -0.74 3.56 5.08 -1.80 0.35 114.58 121.85 2wo0 h GLU 103 Ca 0.04 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2wo0 h GLU 103 Cb 0.31 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2wo0 h GLU 103 CO 0.00 0.54 0.48 0.82 -1.00 0.00 0.00 179.01 179.86 2wo0 h ILE 104 N 0.85 1.13 -0.00 3.13 2.04 -0.46 -1.38 117.51 122.82 2wo0 h ILE 104 Ca 0.36 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 2wo0 h ILE 104 Cb 0.22 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2wo0 h ILE 104 CO -0.19 0.17 -0.45 0.11 0.00 0.00 0.00 178.15 177.78 2wo0 h LYS 105 N 0.95 0.01 0.02 2.37 1.57 0.16 -2.38 116.57 119.26 2wo0 h LYS 105 Ca 0.29 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.83 2wo0 h LYS 105 Cb -0.03 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.29 2wo0 h LYS 105 CO -0.09 0.46 -0.99 0.37 -0.57 0.00 0.00 179.45 178.62 2wo0 h GLN 106 N 0.01 0.43 -0.43 3.15 4.15 0.07 -2.46 115.11 120.03 2wo0 h GLN 106 Ca -0.00 -0.49 -0.10 0.00 0.77 0.00 0.00 58.65 58.83 2wo0 h GLN 106 Cb 0.81 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 2wo0 h GLN 106 CO 0.06 1.15 -0.13 0.00 -1.93 0.00 0.00 178.83 177.98 2wo0 h ALA 107 N 0.68 0.97 -0.28 3.38 0.00 -1.13 -1.60 119.26 121.28 2wo0 h ALA 107 Ca -0.09 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 2wo0 h ALA 107 Cb 1.64 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2wo0 h ALA 107 CO 0.17 0.61 -0.48 0.28 0.00 0.00 0.00 179.25 179.83 2wo0 h VAL 108 N 0.70 1.29 -0.49 0.00 2.07 -1.31 -2.64 116.25 115.87 2wo0 h VAL 108 Ca 0.12 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2wo0 h VAL 108 Cb 0.61 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2wo0 h VAL 108 CO 0.04 0.54 0.24 -0.33 0.02 0.00 0.00 177.57 178.08 2wo0 h GLU 109 N 0.61 0.70 -0.25 1.57 5.08 -1.29 -1.40 114.58 119.61 2wo0 h GLU 109 Ca 0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wo0 h GLU 109 Cb 1.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2wo0 h GLU 109 CO 0.10 0.58 0.12 0.82 -1.00 0.00 0.00 179.01 179.63 2wo0 h ILE 110 N 0.64 1.14 0.00 3.13 2.04 -1.18 -1.13 117.51 122.15 2wo0 h ILE 110 Ca 0.17 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2wo0 h ILE 110 Cb 0.11 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2wo0 h ILE 110 CO -0.02 0.14 -0.39 -0.37 0.00 0.00 0.00 178.15 177.52 2wo0 h VAL 111 N 0.26 1.20 0.00 1.67 -1.51 -1.47 -2.46 116.25 113.94 2wo0 h VAL 111 Ca 0.08 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 2wo0 h VAL 111 Cb 0.12 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2wo0 h VAL 111 CO -0.01 0.38 0.00 0.11 -1.23 0.00 0.00 177.57 176.82 2wo0 h LYS 112 N 0.00 0.00 -0.38 5.19 1.57 -0.55 -2.68 116.57 119.72 2wo0 h LYS 112 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wo0 h LYS 112 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2wo0 h LYS 112 CO 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 2wo0 n ALA 113 N -1.85 2.45 -2.04 3.86 0.00 -0.49 -4.81 120.51 117.63 2wo0 n ALA 113 Ca 0.02 -0.79 -0.31 0.00 0.00 0.00 0.00 53.44 52.36 2wo0 n ALA 113 Cb 0.26 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2wo0 n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wo0 s SER 114 N -1.26 6.57 0.00 0.00 0.15 -1.01 -4.95 113.70 113.20 2wo0 s SER 114 Ca 0.34 1.32 0.19 0.00 0.70 0.00 0.00 55.95 58.50 2wo0 s SER 114 Cb 0.18 -2.40 0.85 0.00 -1.71 0.00 0.00 66.02 62.94 2wo0 s SER 114 CO 0.25 -0.48 1.60 0.00 1.20 0.00 0.00 173.24 175.81 2wo0 n ALA 115 N -1.41 1.91 1.13 5.45 0.00 -1.26 -3.10 120.51 123.23 2wo0 n ALA 115 Ca 0.04 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2wo0 n ALA 115 Cb 0.54 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.92 2wo0 n ALA 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wo0 n ASP 116 N -1.44 1.14 -4.70 0.00 8.00 -1.26 -4.91 116.55 113.39 2wo0 n ASP 116 Ca 0.06 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 2wo0 n ASP 116 Cb 0.20 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2wo0 n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wo0 s PHE 117 N -2.62 2.94 -0.12 1.24 5.36 -1.18 -5.01 117.98 118.59 2wo0 s PHE 117 Ca 0.20 0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 56.97 2wo0 s PHE 117 Cb 0.18 -3.70 -0.02 0.00 -0.34 0.00 0.00 43.02 39.14 2wo0 s PHE 117 CO 0.59 -2.57 -0.09 0.15 -1.46 0.00 0.00 175.22 171.84 2wo0 s LYS 118 N 1.99 3.25 0.62 10.12 1.02 -1.26 -5.02 119.74 130.45 2wo0 s LYS 118 Ca 0.65 -0.61 0.38 0.00 0.02 0.00 0.00 55.97 56.41 2wo0 s LYS 118 Cb -0.34 -2.68 2.06 0.00 -0.52 0.00 0.00 37.83 36.35 2wo0 s LYS 118 CO 0.28 0.36 2.16 -1.00 -0.92 0.00 0.00 175.35 176.23 2wo0 h PRO 119 N 6.26 0.00 0.00 -1.68 0.13 -2.02 1.01 132.00 135.70 2wo0 h PRO 119 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2wo0 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wo0 h PRO 119 CO 0.57 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.61 2wo0 n ASN 120 N -2.91 0.00 -4.72 1.44 6.94 -1.26 -4.91 115.26 109.85 2wo0 n ASN 120 Ca -0.03 0.02 -0.37 0.00 -0.02 0.00 0.00 54.58 54.18 2wo0 n ASN 120 Cb 0.14 -0.33 0.07 0.00 -2.36 0.00 0.00 39.78 37.30 2wo0 n ASN 120 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2wo0 n THR 121 N -1.33 4.84 -4.19 5.53 -1.04 0.35 -4.63 114.28 113.81 2wo0 n THR 121 Ca 0.12 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.51 2wo0 n THR 121 Cb 0.23 -1.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.19 2wo0 n THR 121 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wo0 s ARG 122 N -3.32 0.92 -0.27 -2.82 0.52 -0.70 -4.96 118.95 108.32 2wo0 s ARG 122 Ca 0.82 -1.39 -0.07 0.00 -0.52 0.00 0.00 55.73 54.58 2wo0 s ARG 122 Cb -0.38 -0.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.79 2wo0 s ARG 122 CO 0.41 -0.02 0.07 -0.06 0.02 0.00 0.00 175.30 175.72 2wo0 s PHE 123 N -3.58 3.10 0.13 -0.53 0.08 0.48 -0.25 117.98 117.40 2wo0 s PHE 123 Ca 0.15 -0.72 0.05 0.00 0.12 0.00 0.00 56.93 56.53 2wo0 s PHE 123 Cb 0.05 -2.24 -0.17 0.00 -0.57 0.00 0.00 43.02 40.09 2wo0 s PHE 123 CO -0.02 -0.48 1.29 1.79 -0.10 0.00 0.00 175.22 177.69 2wo0 h THR 124 N 5.70 1.64 -1.79 0.64 1.35 -1.31 -3.37 112.91 115.77 2wo0 h THR 124 Ca -0.36 -3.20 0.01 0.00 -0.55 0.00 0.00 66.41 62.32 2wo0 h THR 124 Cb 1.15 2.78 -0.23 0.00 -1.73 0.00 0.00 68.15 70.13 2wo0 h THR 124 CO 0.59 0.92 0.32 -0.70 -0.25 0.00 0.00 175.52 176.41 2wo0 s GLU 125 N -2.81 0.71 -0.11 4.72 2.12 -1.20 -4.93 118.70 117.20 2wo0 s GLU 125 Ca -0.00 0.60 -0.03 0.00 0.36 0.00 0.00 54.97 55.90 2wo0 s GLU 125 Cb 0.10 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.87 2wo0 s GLU 125 CO 0.83 -0.14 0.04 0.42 -0.54 0.00 0.00 175.26 175.87 2wo0 s ILE 126 N -0.16 0.21 -0.06 -3.70 1.01 -1.26 -1.51 121.20 115.73 2wo0 s ILE 126 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 2wo0 s ILE 126 Cb -0.03 -0.56 0.04 0.00 0.01 0.00 0.00 42.46 41.91 2wo0 s ILE 126 CO -0.00 0.04 0.46 -0.44 0.00 0.00 0.00 174.94 175.00 2wo0 s SER 127 N 2.02 -0.40 0.04 3.58 0.01 -0.66 -4.65 113.70 113.65 2wo0 s SER 127 Ca 0.03 0.45 -0.37 0.00 1.31 0.00 0.00 55.95 57.37 2wo0 s SER 127 Cb -0.14 0.51 -0.17 0.00 0.21 0.00 0.00 66.02 66.43 2wo0 s SER 127 CO -0.06 -0.45 1.36 -0.11 0.41 0.00 0.00 173.24 174.40 2wo0 n LEU 128 N 1.44 1.62 -4.66 2.44 7.94 -1.26 -0.19 117.00 124.32 2wo0 n LEU 128 Ca -0.19 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.40 2wo0 n LEU 128 Cb 0.56 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.32 2wo0 n LEU 128 CO 0.20 -1.04 0.84 -0.22 -1.11 0.00 0.00 177.39 176.07 2wo0 s LEU 129 N 0.75 4.14 -0.04 -1.96 2.96 0.01 -4.58 118.68 119.96 2wo0 s LEU 129 Ca 0.86 1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 55.83 2wo0 s LEU 129 Cb -0.99 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 42.17 2wo0 s LEU 129 CO 0.49 -0.58 1.43 -2.16 -1.32 0.00 0.00 176.35 174.21 2wo0 s PRO 130 N 2.82 4.25 1.30 0.98 0.04 -1.26 -4.50 135.00 138.63 2wo0 s PRO 130 Ca 0.44 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 63.22 2wo0 s PRO 130 Cb -0.16 -3.69 0.34 0.00 0.04 0.00 0.00 34.50 31.03 2wo0 s PRO 130 CO 0.09 -0.65 0.80 -2.30 0.04 0.00 0.00 177.00 174.98 2wo0 n PRO 131 N 5.95 -4.44 -3.09 0.56 -0.02 -1.26 -4.87 135.00 127.83 2wo0 n PRO 131 Ca 0.14 -1.34 -0.39 0.00 -2.02 0.00 0.00 63.50 59.89 2wo0 n PRO 131 Cb 0.44 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 2wo0 n PRO 131 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2wo0 s ASP 132 N -3.11 7.00 0.11 2.55 -4.77 -1.26 -4.89 116.67 112.30 2wo0 s ASP 132 Ca 0.60 1.20 0.01 0.00 -3.30 0.00 0.00 52.55 51.07 2wo0 s ASP 132 Cb -0.10 -2.40 0.29 0.00 -1.09 0.00 0.00 42.92 39.62 2wo0 s ASP 132 CO 0.50 -0.03 0.56 1.17 0.70 0.00 0.00 175.17 178.07 2wo0 n LYS 133 N 3.35 -0.03 -0.02 2.11 4.81 -1.26 -1.36 118.16 125.76 2wo0 n LYS 133 Ca -0.03 0.54 -0.17 0.00 -0.87 0.00 0.00 58.31 57.78 2wo0 n LYS 133 Cb 0.51 -0.86 -0.09 0.00 0.02 0.00 0.00 35.03 34.61 2wo0 n LYS 133 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2wo0 h GLU 134 N 0.00 0.56 -0.05 1.64 4.81 -1.99 0.35 114.58 119.91 2wo0 h GLU 134 Ca 0.22 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2wo0 h GLU 134 Cb 0.48 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2wo0 h GLU 134 CO -0.33 1.11 0.02 0.00 -0.73 0.00 0.00 179.01 179.07 2wo0 h ALA 135 N 0.46 0.06 -0.33 2.92 0.00 -1.62 -0.60 119.26 120.16 2wo0 h ALA 135 Ca -0.05 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2wo0 h ALA 135 Cb 1.24 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2wo0 h ALA 135 CO 0.12 -0.35 -0.55 0.28 0.00 0.00 0.00 179.25 178.75 2wo0 h VAL 136 N -0.09 0.01 -0.93 0.00 2.07 -1.33 0.60 116.25 116.57 2wo0 h VAL 136 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.66 2wo0 h VAL 136 Cb 0.18 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 29.87 2wo0 h VAL 136 CO -0.00 0.00 0.55 -0.50 0.02 0.00 0.00 177.57 177.64 2wo0 h TRP 137 N -0.45 0.99 -0.02 1.57 -0.00 -0.85 0.38 115.95 117.57 2wo0 h TRP 137 Ca 0.07 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.92 2wo0 h TRP 137 Cb 0.62 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 2wo0 h TRP 137 CO -0.68 0.35 -0.29 0.00 -0.00 0.00 0.00 178.44 177.82 2wo0 h ALA 138 N 1.54 1.48 0.01 1.49 0.00 0.57 0.41 119.26 124.76 2wo0 h ALA 138 Ca 0.48 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wo0 h ALA 138 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wo0 h ALA 138 CO -0.30 0.39 -0.01 0.35 0.00 0.00 0.00 179.25 179.69 2wo0 h PHE 139 N 0.04 -0.02 -0.67 0.00 3.04 0.21 -0.24 116.94 119.30 2wo0 h PHE 139 Ca 0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 2wo0 h PHE 139 Cb 0.53 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 2wo0 h PHE 139 CO 0.00 0.33 0.16 0.00 -2.02 0.00 0.00 178.31 176.78 2wo0 h ALA 140 N 0.62 0.89 0.01 2.41 0.00 -0.05 -0.64 119.26 122.49 2wo0 h ALA 140 Ca -0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 54.32 2wo0 h ALA 140 Cb 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2wo0 h ALA 140 CO 0.00 0.61 -2.17 1.28 0.00 0.00 0.00 179.25 178.97 2wo0 n LEU 141 N -4.28 0.59 0.00 0.00 4.77 0.04 -4.54 117.00 113.59 2wo0 n LEU 141 Ca 0.04 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2wo0 n LEU 141 Cb 0.26 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wo0 n LEU 141 CO 0.42 0.51 0.04 -0.62 -1.33 0.00 0.00 177.39 176.41 2wo0 n GLU 142 N -2.91 4.84 -1.18 3.23 1.02 -0.26 -5.01 120.64 120.37 2wo0 n GLU 142 Ca -0.29 -0.08 -0.06 0.00 -0.02 0.00 0.00 57.16 56.71 2wo0 n GLU 142 Cb 1.11 -0.52 -0.03 0.00 -0.02 0.00 0.00 31.44 31.98 2wo0 n GLU 142 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wo0 n ASN 143 N -0.71 -4.46 -4.63 1.62 2.85 -0.25 -4.93 115.26 104.74 2wo0 n ASN 143 Ca 0.00 0.16 -0.43 0.00 -0.11 0.00 0.00 54.58 54.20 2wo0 n ASN 143 Cb 0.01 -2.52 -0.03 0.00 1.24 0.00 0.00 39.78 38.48 2wo0 n ASN 143 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2wo0 s LYS 144 N -2.12 3.72 0.26 1.20 2.36 -0.93 -4.89 119.74 119.34 2wo0 s LYS 144 Ca 0.00 1.72 -0.31 0.00 -2.55 0.00 0.00 55.97 54.83 2wo0 s LYS 144 Cb 0.00 -4.09 -0.12 0.00 -1.05 0.00 0.00 37.83 32.57 2wo0 s LYS 144 CO 0.00 -1.39 1.56 -0.35 1.55 0.00 0.00 175.35 176.72 2wo0 n PRO 145 N 7.82 2.49 -2.36 4.03 -0.04 -1.26 -3.71 135.00 141.97 2wo0 n PRO 145 Ca 0.20 0.89 -0.43 0.00 -0.04 0.00 0.00 63.50 64.12 2wo0 n PRO 145 Cb 0.45 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.24 2wo0 n PRO 145 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wo0 s VAL 146 N 0.23 4.15 -1.99 0.52 1.01 -1.26 -4.92 120.40 118.13 2wo0 s VAL 146 Ca 0.68 1.37 0.17 0.00 0.00 0.00 0.00 61.98 64.20 2wo0 s VAL 146 Cb -0.55 -3.94 0.22 0.00 0.00 0.00 0.00 36.38 32.11 2wo0 s VAL 146 CO 0.45 -0.19 1.14 -0.90 0.00 0.00 0.00 175.10 175.61 2wo0 n ASP 147 N 6.92 2.70 -4.81 3.32 5.68 -1.26 -4.86 116.55 124.25 2wo0 n ASP 147 Ca 0.15 -1.79 -0.36 0.00 -0.50 0.00 0.00 54.79 52.28 2wo0 n ASP 147 Cb 0.45 -0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 2wo0 n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wo0 s GLN 148 N -1.34 4.32 0.20 0.11 -2.07 -1.26 -5.05 119.66 114.57 2wo0 s GLN 148 Ca 0.24 0.98 -0.09 0.00 -1.82 0.00 0.00 55.36 54.67 2wo0 s GLN 148 Cb 0.16 -2.82 -0.07 0.00 -1.09 0.00 0.00 33.01 29.19 2wo0 s GLN 148 CO 0.22 0.34 0.51 -1.25 -1.32 0.00 0.00 175.29 173.80 2wo0 s PRO 149 N -2.07 3.79 -0.16 9.60 0.04 -1.26 -4.99 135.00 139.94 2wo0 s PRO 149 Ca 0.46 0.24 -0.38 0.00 0.04 0.00 0.00 61.00 61.36 2wo0 s PRO 149 Cb -0.17 -2.73 -0.15 0.00 0.04 0.00 0.00 34.50 31.50 2wo0 s PRO 149 CO 0.21 0.37 1.71 0.54 0.04 0.00 0.00 177.00 179.87 2wo0 n ARG 150 N 0.06 1.43 -4.33 4.56 5.12 -1.26 -4.87 116.66 117.37 2wo0 n ARG 150 Ca -0.01 0.52 -0.26 0.00 -1.93 0.00 0.00 57.85 56.18 2wo0 n ARG 150 Cb 0.52 -2.24 -0.13 0.00 -1.16 0.00 0.00 32.46 29.46 2wo0 n ARG 150 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wo0 s LYS 151 N 3.10 1.25 0.04 5.56 1.02 -1.26 -0.40 119.74 129.05 2wo0 s LYS 151 Ca 0.94 -1.26 0.08 0.00 0.02 0.00 0.00 55.97 55.75 2wo0 s LYS 151 Cb -0.95 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 2wo0 s LYS 151 CO 0.59 0.36 -0.23 0.00 -0.92 0.00 0.00 175.35 175.15 2wo0 s ALA 152 N -1.22 2.39 -0.08 5.17 0.00 -0.10 -0.81 121.76 127.10 2wo0 s ALA 152 Ca 0.10 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 2wo0 s ALA 152 Cb -0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2wo0 s ALA 152 CO 0.05 0.55 0.84 -0.51 0.00 0.00 0.00 175.76 176.69 2wo0 s ASP 153 N -1.26 7.10 -0.26 0.00 1.01 0.73 -1.64 116.67 122.34 2wo0 s ASP 153 Ca 0.13 1.33 0.02 0.00 0.71 0.00 0.00 52.55 54.74 2wo0 s ASP 153 Cb -0.10 -2.48 0.07 0.00 1.01 0.00 0.00 42.92 41.42 2wo0 s ASP 153 CO 0.03 -0.26 -0.07 -0.69 0.21 0.00 0.00 175.17 174.39 2wo0 s VAL 154 N 1.36 1.92 -0.33 -1.27 1.01 0.16 -1.66 120.40 121.58 2wo0 s VAL 154 Ca 0.42 -1.56 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 2wo0 s VAL 154 Cb -0.18 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.08 2wo0 s VAL 154 CO 0.19 -0.13 0.15 -0.63 0.00 0.00 0.00 175.10 174.67 2wo0 s ILE 155 N 1.20 4.33 0.02 2.22 1.01 -0.57 0.03 121.20 129.44 2wo0 s ILE 155 Ca -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2wo0 s ILE 155 Cb -0.19 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2wo0 s ILE 155 CO -0.06 -0.07 0.01 -0.04 0.00 0.00 0.00 174.94 174.78 2wo0 s MET 156 N 1.54 2.76 -0.40 2.79 -1.94 0.11 -0.93 119.30 123.21 2wo0 s MET 156 Ca 0.02 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.30 2wo0 s MET 156 Cb -0.18 -2.66 0.10 0.00 2.01 0.00 0.00 34.83 34.10 2wo0 s MET 156 CO 0.05 0.60 0.20 -1.17 -0.01 0.00 0.00 175.02 174.70 2wo0 s LEU 157 N -1.79 5.13 -0.96 -0.03 2.96 0.65 -1.63 118.68 123.02 2wo0 s LEU 157 Ca 0.22 -1.85 -0.17 0.00 -0.22 0.00 0.00 54.13 52.11 2wo0 s LEU 157 Cb -0.12 -1.86 0.16 0.00 0.50 0.00 0.00 46.19 44.87 2wo0 s LEU 157 CO 0.13 -0.53 1.10 -0.62 -1.32 0.00 0.00 176.35 175.11 2wo0 s ASP 158 N 1.90 6.75 0.19 3.68 2.15 0.15 -1.72 116.67 129.77 2wo0 s ASP 158 Ca 0.06 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 50.65 2wo0 s ASP 158 Cb -0.23 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2wo0 s ASP 158 CO -0.03 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 2wo0 n GLY 159 N 4.87 1.58 0.00 2.66 0.00 -1.26 -1.99 105.19 111.05 2wo0 n GLY 159 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2wo0 n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wo0 n LYS 160 N 0.00 -0.06 -3.67 1.61 2.85 -1.26 -4.95 118.16 112.68 2wo0 n LYS 160 Ca 0.00 -0.42 -0.37 0.00 -1.05 0.00 0.00 58.31 56.47 2wo0 n LYS 160 Cb 0.00 -0.92 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 2wo0 n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wo0 s HIS 161 N -0.11 3.64 -0.22 5.58 3.76 -0.84 -4.46 115.29 122.65 2wo0 s HIS 161 Ca 0.00 0.75 -0.11 0.00 -0.15 0.00 0.00 55.06 55.55 2wo0 s HIS 161 Cb 0.00 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 2wo0 s HIS 161 CO 0.00 0.65 0.19 0.42 -0.85 0.00 0.00 174.74 175.15 2wo0 s ILE 162 N -1.15 5.35 -0.09 0.60 -1.09 -1.26 -0.68 121.20 122.88 2wo0 s ILE 162 Ca 0.23 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 2wo0 s ILE 162 Cb -0.14 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2wo0 s ILE 162 CO 0.12 0.36 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.40 2wo0 s ILE 163 N 0.86 2.85 -0.39 2.92 1.01 -0.64 0.16 121.20 127.96 2wo0 s ILE 163 Ca 0.10 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 2wo0 s ILE 163 Cb -0.13 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.23 2wo0 s ILE 163 CO 0.03 0.56 0.24 -1.61 0.00 0.00 0.00 174.94 174.16 2wo0 s GLU 164 N -0.08 2.85 0.00 2.79 2.02 0.14 -0.72 118.70 125.72 2wo0 s GLU 164 Ca -0.03 -1.09 -0.00 0.00 0.02 0.00 0.00 54.97 53.87 2wo0 s GLU 164 Cb -0.14 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 2wo0 s GLU 164 CO 0.04 -0.74 0.10 0.00 0.02 0.00 0.00 175.26 174.68 2wo0 s ALA 165 N 1.59 3.65 -0.06 5.21 0.00 0.10 -2.30 121.76 129.96 2wo0 s ALA 165 Ca 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2wo0 s ALA 165 Cb -0.19 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2wo0 s ALA 165 CO 0.08 0.71 -0.19 0.08 0.00 0.00 0.00 175.76 176.44 2wo0 s VAL 166 N -1.24 2.65 0.05 0.00 1.01 0.14 0.36 120.40 123.36 2wo0 s VAL 166 Ca 0.24 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2wo0 s VAL 166 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2wo0 s VAL 166 CO 0.16 0.58 -0.20 0.68 0.00 0.00 0.00 175.10 176.31 2wo0 s VAL 167 N -0.44 1.64 -0.29 2.92 -7.23 -0.65 -0.52 120.40 115.84 2wo0 s VAL 167 Ca 0.05 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.91 2wo0 s VAL 167 Cb -0.12 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2wo0 s VAL 167 CO 0.02 0.17 0.11 -0.62 -0.31 0.00 0.00 175.10 174.47 2wo0 s ASP 168 N -1.24 5.35 0.01 4.85 -1.08 0.13 -0.93 116.67 123.76 2wo0 s ASP 168 Ca 0.07 -0.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.78 2wo0 s ASP 168 Cb -0.09 -1.96 -0.19 0.00 -1.46 0.00 0.00 42.92 39.23 2wo0 s ASP 168 CO 0.02 -0.14 0.78 -0.07 0.52 0.00 0.00 175.17 176.27 2wo0 h LEU 169 N 8.29 0.00 -0.79 -1.34 3.38 -1.01 -0.79 115.31 123.06 2wo0 h LEU 169 Ca -0.34 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2wo0 h LEU 169 Cb 1.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2wo0 h LEU 169 CO 0.60 0.85 0.46 -0.61 0.09 0.00 0.00 178.44 179.83 2wo0 h GLN 170 N 0.00 0.80 -0.43 1.13 4.15 -1.89 -3.10 115.11 115.78 2wo0 h GLN 170 Ca -0.22 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2wo0 h GLN 170 Cb 1.84 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.35 2wo0 h GLN 170 CO 0.07 0.53 0.00 0.09 -1.93 0.00 0.00 178.83 177.59 2wo0 n ASN 171 N -4.71 3.18 -4.10 -0.69 3.02 -1.21 -4.98 115.26 105.77 2wo0 n ASN 171 Ca 0.12 -1.95 -0.33 0.00 -0.03 0.00 0.00 54.58 52.39 2wo0 n ASN 171 Cb 0.21 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 2wo0 n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wo0 n ASN 172 N 0.95 -3.07 -4.22 6.41 5.15 -0.42 -4.98 115.26 115.09 2wo0 n ASN 172 Ca 0.16 -0.96 -0.13 0.00 -0.60 0.00 0.00 54.58 53.05 2wo0 n ASN 172 Cb 0.49 -3.08 -0.10 0.00 -0.53 0.00 0.00 39.78 36.55 2wo0 n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2wo0 s LYS 173 N -6.78 0.97 -0.47 1.20 -2.85 -0.52 -4.97 119.74 106.31 2wo0 s LYS 173 Ca 0.58 -1.41 -0.24 0.00 -1.00 0.00 0.00 55.97 53.90 2wo0 s LYS 173 Cb -0.31 -0.42 0.03 0.00 -2.06 0.00 0.00 37.83 35.07 2wo0 s LYS 173 CO 0.90 0.02 0.86 -1.17 0.10 0.00 0.00 175.35 176.06 2wo0 s LEU 174 N -3.12 4.15 0.07 2.77 2.96 -1.26 0.18 118.68 124.43 2wo0 s LEU 174 Ca 0.15 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2wo0 s LEU 174 Cb 0.04 -3.02 -0.27 0.00 0.50 0.00 0.00 46.19 43.44 2wo0 s LEU 174 CO -0.01 -1.02 1.12 -0.07 -1.32 0.00 0.00 176.35 175.04 2wo0 h LEU 175 N 10.43 0.33 -7.10 -0.68 3.38 -1.14 -3.48 115.31 117.05 2wo0 h LEU 175 Ca -0.25 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.30 2wo0 h LEU 175 Cb 1.08 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 2wo0 h LEU 175 CO 1.01 1.29 0.12 -0.94 0.09 0.00 0.00 178.44 180.01 2wo0 s SER 176 N -7.02 -0.53 -0.17 -0.43 1.04 -1.06 -4.93 113.70 100.59 2wo0 s SER 176 Ca -0.04 0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.65 2wo0 s SER 176 Cb 0.08 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.81 2wo0 s SER 176 CO 0.87 -0.74 0.24 0.86 0.98 0.00 0.00 173.24 175.45 2wo0 s TRP 177 N -2.34 -0.35 -0.21 5.02 -0.11 -1.26 -0.69 118.94 119.00 2wo0 s TRP 177 Ca -0.06 0.51 -0.04 0.00 1.22 0.00 0.00 56.10 57.74 2wo0 s TRP 177 Cb -0.01 -0.23 0.09 0.00 -1.50 0.00 0.00 33.47 31.82 2wo0 s TRP 177 CO -0.01 -0.51 0.20 -1.14 -4.62 0.00 0.00 176.95 170.87 2wo0 s GLN 178 N 2.37 0.18 0.32 5.86 2.00 -0.97 -4.99 119.66 124.42 2wo0 s GLN 178 Ca 0.05 0.05 -0.29 0.00 -2.00 0.00 0.00 55.36 53.18 2wo0 s GLN 178 Cb -0.14 -1.27 -0.10 0.00 0.80 0.00 0.00 33.01 32.30 2wo0 s GLN 178 CO -0.11 -0.73 1.35 -2.14 -0.50 0.00 0.00 175.29 173.16 2wo0 s PRO 179 N 2.28 4.32 -0.36 1.67 0.02 -1.26 0.27 135.00 141.94 2wo0 s PRO 179 Ca 0.06 2.26 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 2wo0 s PRO 179 Cb -0.16 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.36 2wo0 s PRO 179 CO -0.16 -0.26 0.13 0.42 -0.33 0.00 0.00 177.00 176.80 2wo0 s ILE 180 N -0.92 3.59 0.35 2.83 -1.09 0.12 -4.89 121.20 121.19 2wo0 s ILE 180 Ca 0.51 -1.42 -0.28 0.00 -2.23 0.00 0.00 60.65 57.23 2wo0 s ILE 180 Cb -0.41 -3.15 -0.11 0.00 -1.58 0.00 0.00 42.46 37.21 2wo0 s ILE 180 CO 0.52 -0.33 1.45 -1.59 -1.23 0.00 0.00 174.94 173.77 2wo0 s LYS 181 N 1.32 4.18 0.00 2.79 0.00 -1.26 -3.35 119.74 123.42 2wo0 s LYS 181 Ca 0.00 2.47 0.00 0.00 0.00 0.00 0.00 55.97 58.45 2wo0 s LYS 181 Cb -0.21 -3.00 0.00 0.00 0.00 0.00 0.00 37.83 34.62 2wo0 s LYS 181 CO 0.00 -0.45 0.00 -0.25 0.00 0.00 0.00 175.35 174.65 2wo0 n ASP 182 N 0.77 0.00 -4.68 0.03 8.00 -1.26 -4.97 116.55 114.44 2wo0 n ASP 182 Ca 0.02 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.07 2wo0 n ASP 182 Cb 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 2wo0 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wo0 n ALA 183 N 0.00 1.71 -2.64 2.24 0.00 -1.21 -5.03 120.51 115.57 2wo0 n ALA 183 Ca 0.00 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 2wo0 n ALA 183 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.01 2wo0 n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wo0 s HIS 184 N 0.87 3.51 0.69 0.00 3.76 -1.26 -4.37 115.29 118.49 2wo0 s HIS 184 Ca 0.77 0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 56.21 2wo0 s HIS 184 Cb -0.63 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.00 2wo0 s HIS 184 CO 0.38 0.47 1.07 0.20 -0.85 0.00 0.00 174.74 176.01 2wo0 s GLY 185 N -2.16 1.63 1.10 -2.22 0.00 -1.26 -4.56 107.32 99.85 2wo0 s GLY 185 Ca 0.38 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.58 2wo0 s GLY 185 CO 0.22 -0.01 1.11 -3.16 0.00 0.00 0.00 173.10 171.26 2wo0 s MET 186 N -5.31 -0.43 0.11 2.90 0.23 -1.26 -4.85 119.30 110.70 2wo0 s MET 186 Ca 0.57 0.16 -0.30 0.00 -1.03 0.00 0.00 55.69 55.10 2wo0 s MET 186 Cb -0.11 -1.67 -0.06 0.00 -1.53 0.00 0.00 34.83 31.46 2wo0 s MET 186 CO 0.51 -3.23 1.00 0.08 -2.03 0.00 0.00 175.02 171.36 2wo0 s VAL 187 N -3.03 4.37 0.24 5.16 1.01 0.35 -5.03 120.40 123.47 2wo0 s VAL 187 Ca 0.68 1.94 0.10 0.00 0.00 0.00 0.00 61.98 64.71 2wo0 s VAL 187 Cb -0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2wo0 s VAL 187 CO 0.56 0.29 -0.11 -0.76 0.00 0.00 0.00 175.10 175.08 2wo0 s LEU 188 N 0.05 2.87 0.24 3.92 1.43 -1.26 -4.61 118.68 121.32 2wo0 s LEU 188 Ca 0.48 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2wo0 s LEU 188 Cb -0.25 -1.46 0.44 0.00 0.03 0.00 0.00 46.19 44.95 2wo0 s LEU 188 CO 0.31 0.06 1.67 0.25 0.23 0.00 0.00 176.35 178.87 2wo0 h LEU 189 N 2.44 -0.08 0.00 1.79 5.85 -1.96 0.39 115.31 123.75 2wo0 h LEU 189 Ca -0.44 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2wo0 h LEU 189 Cb 1.23 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2wo0 h LEU 189 CO 0.57 -0.07 0.00 -0.90 -0.34 0.00 0.00 178.44 177.70 2wo0 n ASP 190 N -5.20 0.00 -0.04 1.25 5.75 -1.26 -1.31 116.55 115.74 2wo0 n ASP 190 Ca 0.13 0.48 -0.12 0.00 -0.01 0.00 0.00 54.79 55.28 2wo0 n ASP 190 Cb 0.45 -0.49 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 2wo0 n ASP 190 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wo0 h ASP 191 N 0.00 0.77 -0.79 -1.12 3.32 -0.61 -1.90 116.42 116.10 2wo0 h ASP 191 Ca 0.00 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.71 2wo0 h ASP 191 Cb 0.22 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2wo0 h ASP 191 CO 0.00 1.15 0.47 -0.26 -1.72 0.00 0.00 179.24 178.88 2wo0 h PHE 192 N 0.54 0.86 -0.02 4.55 -1.00 -1.25 -1.28 116.94 119.34 2wo0 h PHE 192 Ca 0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 2wo0 h PHE 192 Cb 1.10 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.39 2wo0 h PHE 192 CO 0.06 0.41 -0.04 0.00 -1.61 0.00 0.00 178.31 177.13 2wo0 h ALA 193 N 1.40 0.04 -0.74 2.45 0.00 -1.57 -2.61 119.26 118.22 2wo0 h ALA 193 Ca 0.36 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2wo0 h ALA 193 Cb 0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 2wo0 h ALA 193 CO -0.19 -0.16 -0.47 0.77 0.00 0.00 0.00 179.25 179.20 2wo0 h SER 194 N -0.46 -1.66 -0.12 0.00 0.02 -1.21 0.09 113.55 110.21 2wo0 h SER 194 Ca 0.00 0.28 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2wo0 h SER 194 Cb 0.59 0.76 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2wo0 h SER 194 CO 0.01 -0.31 -0.06 0.58 -1.14 0.00 0.00 176.83 175.91 2wo0 h VAL 195 N -0.15 0.81 -0.52 2.27 2.07 -1.21 0.22 116.25 119.74 2wo0 h VAL 195 Ca 0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 2wo0 h VAL 195 Cb 0.54 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2wo0 h VAL 195 CO -0.80 0.00 0.35 -0.61 0.02 0.00 0.00 177.57 176.54 2wo0 h GLN 196 N -0.05 0.26 0.02 1.57 5.75 -1.04 -1.52 115.11 120.10 2wo0 h GLN 196 Ca 0.07 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 2wo0 h GLN 196 Cb 0.15 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.65 2wo0 h GLN 196 CO -0.15 0.17 -0.43 -0.97 -2.65 0.00 0.00 178.83 174.81 2wo0 h ASN 197 N 0.27 0.34 -0.43 -0.69 -1.24 0.58 -1.61 115.58 112.80 2wo0 h ASN 197 Ca 0.24 -0.81 -0.07 0.00 0.71 0.00 0.00 56.30 56.37 2wo0 h ASN 197 Cb 0.60 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 2wo0 h ASN 197 CO -0.05 1.11 0.00 0.40 -1.29 0.00 0.00 177.43 177.61 2wo0 h ILE 198 N -0.39 1.26 -0.64 2.57 2.04 -0.35 0.05 117.51 122.04 2wo0 h ILE 198 Ca -0.06 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2wo0 h ILE 198 Cb 1.20 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2wo0 h ILE 198 CO 0.08 0.35 0.43 0.40 0.00 0.00 0.00 178.15 179.41 2wo0 h ILE 199 N 0.60 1.14 -0.35 -0.67 5.03 -1.33 -2.36 117.51 119.57 2wo0 h ILE 199 Ca 0.12 -0.29 -0.11 0.00 -0.12 0.00 0.00 64.86 64.47 2wo0 h ILE 199 Cb 0.48 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.49 2wo0 h ILE 199 CO 0.02 0.15 -0.22 0.78 -0.68 0.00 0.00 178.15 178.20 2wo0 h ASN 200 N 0.84 0.68 -0.18 1.72 2.35 -0.19 -2.68 115.58 118.12 2wo0 h ASN 200 Ca 0.24 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2wo0 h ASN 200 Cb -0.04 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2wo0 h ASN 200 CO -0.06 0.89 0.00 0.59 -1.65 0.00 0.00 177.43 177.20 2wo0 n ASN 201 N -4.12 1.30 -4.48 5.81 3.02 -0.12 -4.81 115.26 111.86 2wo0 n ASN 201 Ca 0.00 -1.79 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 2wo0 n ASN 201 Cb 0.42 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.39 2wo0 n ASN 201 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wo0 s SER 202 N -1.32 6.24 0.30 6.41 0.15 -0.96 -4.91 113.70 119.61 2wo0 s SER 202 Ca 0.25 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 56.20 2wo0 s SER 202 Cb 0.13 -2.27 0.46 0.00 -1.71 0.00 0.00 66.02 62.63 2wo0 s SER 202 CO 0.19 -0.73 1.96 1.05 1.20 0.00 0.00 173.24 176.91 2wo0 h GLU 203 N 8.85 1.07 0.16 5.44 9.09 -1.88 -0.49 114.58 136.82 2wo0 h GLU 203 Ca -0.27 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.07 2wo0 h GLU 203 Cb 1.10 -0.24 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 2wo0 h GLU 203 CO 0.88 0.71 -0.08 1.49 0.05 0.00 0.00 179.01 182.05 2wo0 h GLU 204 N 1.10 -0.21 -0.76 1.06 4.81 -1.96 -2.74 114.58 115.87 2wo0 h GLU 204 Ca 0.31 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.69 2wo0 h GLU 204 Cb -0.09 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.25 2wo0 h GLU 204 CO -0.07 0.22 0.32 0.35 -0.73 0.00 0.00 179.01 179.10 2wo0 h PHE 205 N -0.81 0.56 -0.47 0.92 3.04 -1.89 0.62 116.94 118.90 2wo0 h PHE 205 Ca -0.02 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.06 2wo0 h PHE 205 Cb 0.53 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 2wo0 h PHE 205 CO 0.08 0.09 0.33 0.00 -2.02 0.00 0.00 178.31 176.79 2wo0 h ALA 206 N 1.53 2.16 -0.01 2.41 0.00 -1.02 -0.91 119.26 123.43 2wo0 h ALA 206 Ca 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 2wo0 h ALA 206 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wo0 h ALA 206 CO -0.38 -0.28 -0.22 0.00 0.00 0.00 0.00 179.25 178.36 2wo0 h ALA 207 N 1.76 0.04 -0.91 0.00 0.00 -0.63 0.02 119.26 119.54 2wo0 h ALA 207 Ca 0.22 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.81 2wo0 h ALA 207 Cb 0.59 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2wo0 h ALA 207 CO -0.04 0.06 0.53 0.00 0.00 0.00 0.00 179.25 179.81 2wo0 h ALA 208 N 0.28 1.36 -0.30 0.00 0.00 -0.89 -2.08 119.26 117.63 2wo0 h ALA 208 Ca -0.03 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2wo0 h ALA 208 Cb 0.96 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wo0 h ALA 208 CO 0.04 0.09 -0.50 0.28 0.00 0.00 0.00 179.25 179.16 2wo0 h VAL 209 N 0.82 1.28 -0.23 0.00 2.07 -1.14 -3.09 116.25 115.97 2wo0 h VAL 209 Ca 0.46 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 2wo0 h VAL 209 Cb 0.52 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2wo0 h VAL 209 CO -0.29 0.55 -0.17 0.50 0.02 0.00 0.00 177.57 178.17 2wo0 h LYS 210 N 0.66 0.40 -0.10 1.57 3.64 -0.33 -2.11 116.57 120.29 2wo0 h LYS 210 Ca 0.03 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wo0 h LYS 210 Cb 1.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2wo0 h LYS 210 CO 0.11 0.57 0.00 0.36 -2.27 0.00 0.00 179.45 178.22 2wo0 n LYS 211 N -4.19 1.38 -1.56 1.90 2.85 -0.86 -2.44 118.16 115.24 2wo0 n LYS 211 Ca -0.00 -0.57 -0.27 0.00 -1.05 0.00 0.00 58.31 56.42 2wo0 n LYS 211 Cb 0.34 -1.30 0.07 0.00 -0.65 0.00 0.00 35.03 33.48 2wo0 n LYS 211 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2wo0 n ARG 212 N -0.18 2.97 0.00 -1.58 1.74 -0.83 -4.93 116.66 113.85 2wo0 n ARG 212 Ca 0.13 -3.63 0.00 0.00 -0.77 0.00 0.00 57.85 53.58 2wo0 n ARG 212 Cb 0.19 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2wo0 n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wo0 n GLY 213 N -0.86 2.74 3.63 -0.13 0.00 -1.02 -4.65 105.19 104.90 2wo0 n GLY 213 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 2wo0 n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wo0 s ILE 214 N -2.83 4.71 -0.09 -0.61 1.09 -1.02 -4.91 121.20 117.55 2wo0 s ILE 214 Ca 0.00 1.45 0.02 0.00 -1.10 0.00 0.00 60.65 61.02 2wo0 s ILE 214 Cb 0.00 -4.23 -0.25 0.00 -1.06 0.00 0.00 42.46 36.92 2wo0 s ILE 214 CO 0.00 -0.29 0.48 0.35 -0.10 0.00 0.00 174.94 175.38 2wo0 n THR 215 N 5.58 1.70 -3.67 2.92 -2.24 -1.26 -3.84 114.28 113.46 2wo0 n THR 215 Ca 0.07 -0.72 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 2wo0 n THR 215 Cb 0.48 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.19 2wo0 n THR 215 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wo0 s ASP 216 N -6.60 5.46 0.40 3.42 -1.08 -1.26 -4.96 116.67 112.05 2wo0 s ASP 216 Ca -0.15 -1.95 0.10 0.00 -0.52 0.00 0.00 52.55 50.03 2wo0 s ASP 216 Cb 0.07 -1.91 0.83 0.00 -1.46 0.00 0.00 42.92 40.45 2wo0 s ASP 216 CO 0.79 -0.61 1.95 0.00 0.52 0.00 0.00 175.17 177.83 2wo0 h ALA 217 N 8.24 1.57 0.00 3.66 0.00 -1.94 -0.76 119.26 130.02 2wo0 h ALA 217 Ca -0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wo0 h ALA 217 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2wo0 h ALA 217 CO 0.77 0.31 0.31 0.87 0.00 0.00 0.00 179.25 181.51 2wo0 h LYS 218 N 0.26 0.00 -0.15 0.00 1.79 -1.98 -0.15 116.57 116.34 2wo0 h LYS 218 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2wo0 h LYS 218 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2wo0 h LYS 218 CO 0.01 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.01 2wo0 n LYS 219 N -2.69 1.51 -3.34 3.15 4.76 -0.29 -4.86 118.16 116.39 2wo0 n LYS 219 Ca -0.02 -0.78 -0.39 0.00 -2.87 0.00 0.00 58.31 54.25 2wo0 n LYS 219 Cb 0.35 -1.31 -0.08 0.00 -1.84 0.00 0.00 35.03 32.15 2wo0 n LYS 219 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wo0 s VAL 220 N -1.81 5.15 -0.27 -0.18 1.01 -0.07 -0.31 120.40 123.93 2wo0 s VAL 220 Ca 0.27 0.72 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 2wo0 s VAL 220 Cb 0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2wo0 s VAL 220 CO 0.21 0.18 0.16 -0.63 0.00 0.00 0.00 175.10 175.01 2wo0 s ILE 221 N 1.79 5.05 0.46 2.22 1.09 0.19 -4.95 121.20 127.05 2wo0 s ILE 221 Ca 0.19 0.08 0.01 0.00 -1.10 0.00 0.00 60.65 59.82 2wo0 s ILE 221 Cb -0.15 -3.39 0.00 0.00 -1.06 0.00 0.00 42.46 37.86 2wo0 s ILE 221 CO 0.09 0.28 0.67 0.42 -0.10 0.00 0.00 174.94 176.30 2wo0 s THR 222 N 1.67 3.86 -0.16 2.92 -4.23 -1.26 -0.82 115.64 117.62 2wo0 s THR 222 Ca 0.07 -0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 2wo0 s THR 222 Cb -0.16 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.31 2wo0 s THR 222 CO 0.09 -0.29 0.39 0.28 -0.54 0.00 0.00 174.62 174.54 2wo0 s THR 223 N -2.56 -0.02 -0.11 3.99 -1.32 -0.80 -4.96 115.64 109.85 2wo0 s THR 223 Ca 0.49 0.08 -0.20 0.00 -1.21 0.00 0.00 61.69 60.85 2wo0 s THR 223 Cb -0.10 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.28 2wo0 s THR 223 CO 0.38 0.03 0.56 -2.16 -2.21 0.00 0.00 174.62 171.22 2wo0 s PRO 224 N 1.12 4.36 0.20 7.08 0.04 -1.26 -2.22 135.00 144.32 2wo0 s PRO 224 Ca -0.07 0.60 0.11 0.00 0.04 0.00 0.00 61.00 61.68 2wo0 s PRO 224 Cb -0.07 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2wo0 s PRO 224 CO -0.09 0.08 -0.24 -0.51 0.04 0.00 0.00 177.00 176.28 2wo0 s LEU 225 N 0.82 2.44 0.58 -3.56 1.43 0.44 -4.97 118.68 115.87 2wo0 s LEU 225 Ca 0.30 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2wo0 s LEU 225 Cb -0.16 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2wo0 s LEU 225 CO 0.13 0.11 0.91 0.42 0.23 0.00 0.00 176.35 178.14 2wo0 s THR 226 N -1.74 4.10 -0.71 5.49 -4.23 -1.26 -0.85 115.64 116.44 2wo0 s THR 226 Ca 0.21 0.21 0.22 0.00 -1.18 0.00 0.00 61.69 61.15 2wo0 s THR 226 Cb -0.08 -3.62 -0.22 0.00 1.34 0.00 0.00 72.50 69.93 2wo0 s THR 226 CO 0.10 -0.67 0.86 1.33 -0.54 0.00 0.00 174.62 175.70 2wo0 n VAL 227 N -2.56 0.03 -4.43 2.29 0.24 -1.26 -4.70 118.33 107.93 2wo0 n VAL 227 Ca 0.04 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2wo0 n VAL 227 Cb 0.56 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 2wo0 n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wo0 n GLY 228 N 1.42 -0.11 3.17 7.63 0.00 -1.26 -4.86 105.19 111.17 2wo0 n GLY 228 Ca 0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2wo0 n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wo0 s TYR 229 N 0.00 -0.48 -0.03 1.61 5.04 -1.26 -4.33 117.35 117.90 2wo0 s TYR 229 Ca 0.00 1.06 0.25 0.00 -2.44 0.00 0.00 57.07 55.94 2wo0 s TYR 229 Cb 0.00 0.16 0.43 0.00 0.35 0.00 0.00 41.96 42.91 2wo0 s TYR 229 CO 0.00 -0.30 1.17 1.19 -1.34 0.00 0.00 175.55 176.27 2wo0 n PHE 230 N 4.31 0.08 -4.31 4.97 3.72 -1.26 -4.64 117.46 120.34 2wo0 n PHE 230 Ca -0.23 -0.67 -0.35 0.00 -0.05 0.00 0.00 57.45 56.15 2wo0 n PHE 230 Cb 0.54 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.85 2wo0 n PHE 230 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wo0 n ASP 231 N 0.32 -1.05 0.00 4.37 2.03 -1.26 -0.65 116.55 120.31 2wo0 n ASP 231 Ca 0.07 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.22 2wo0 n ASP 231 Cb 1.10 -2.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 2wo0 n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wo0 n GLY 232 N -1.76 3.14 0.35 0.27 0.00 -1.26 -4.91 105.19 101.02 2wo0 n GLY 232 Ca -0.10 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.10 2wo0 n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wo0 h LYS 233 N 1.54 0.00 -0.00 1.61 1.57 -1.28 0.53 116.57 120.54 2wo0 h LYS 233 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wo0 h LYS 233 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wo0 h LYS 233 CO 0.00 0.00 -0.18 -0.40 -0.57 0.00 0.00 179.45 178.30 2wo0 n ASP 234 N -3.82 0.40 -1.09 0.86 5.68 -1.26 -4.94 116.55 112.37 2wo0 n ASP 234 Ca 0.04 -0.28 -0.07 0.00 -0.50 0.00 0.00 54.79 53.98 2wo0 n ASP 234 Cb 0.42 -0.09 0.01 0.00 -1.14 0.00 0.00 41.12 40.32 2wo0 n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wo0 n GLY 235 N 1.38 0.35 3.17 6.12 0.00 0.19 -5.04 105.19 111.35 2wo0 n GLY 235 Ca 0.11 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2wo0 n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wo0 s LEU 236 N -2.36 1.95 0.19 0.99 1.43 -1.26 -5.09 118.68 114.53 2wo0 s LEU 236 Ca 0.10 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2wo0 s LEU 236 Cb -0.04 -1.12 -0.09 0.00 0.03 0.00 0.00 46.19 44.97 2wo0 s LEU 236 CO 0.12 0.16 1.32 -0.75 0.23 0.00 0.00 176.35 177.43 2wo0 s LYS 237 N 0.10 4.38 0.55 1.70 2.20 -1.26 -4.73 119.74 122.68 2wo0 s LYS 237 Ca -0.07 2.06 0.37 0.00 -0.36 0.00 0.00 55.97 57.97 2wo0 s LYS 237 Cb -0.14 -3.20 1.88 0.00 -1.51 0.00 0.00 37.83 34.86 2wo0 s LYS 237 CO 0.04 -0.27 2.12 0.37 -0.36 0.00 0.00 175.35 177.24 2wo0 h GLN 238 N 5.47 0.00 -0.17 4.03 5.75 -2.00 -3.20 115.11 124.99 2wo0 h GLN 238 Ca -0.45 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 57.93 2wo0 h GLN 238 Cb 1.21 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.65 2wo0 h GLN 238 CO 0.78 0.00 -0.60 -0.40 -2.65 0.00 0.00 178.83 175.96 2wo0 n ASP 239 N -2.87 2.38 -4.35 -0.69 5.75 -1.26 -4.97 116.55 110.54 2wo0 n ASP 239 Ca -0.02 -3.79 -0.28 0.00 -0.01 0.00 0.00 54.79 50.69 2wo0 n ASP 239 Cb 0.13 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 39.60 2wo0 n ASP 239 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wo0 s ALA 240 N -3.21 2.23 -0.72 2.12 0.00 -1.21 -5.08 121.76 115.88 2wo0 s ALA 240 Ca 0.41 -1.36 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 2wo0 s ALA 240 Cb 0.38 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2wo0 s ALA 240 CO -0.05 0.51 1.40 0.50 0.00 0.00 0.00 175.76 178.12 2wo0 s ARG 241 N -1.75 3.08 0.16 0.00 3.52 -1.26 -4.99 118.95 117.72 2wo0 s ARG 241 Ca 0.12 -0.09 0.11 0.00 -0.13 0.00 0.00 55.73 55.74 2wo0 s ARG 241 Cb -0.10 -4.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.00 2wo0 s ARG 241 CO 0.04 -2.27 -0.23 -0.51 -0.81 0.00 0.00 175.30 171.52 2wo0 s LEU 242 N 6.40 2.48 -0.01 -0.88 1.43 -1.26 -1.23 118.68 125.62 2wo0 s LEU 242 Ca 0.42 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2wo0 s LEU 242 Cb -0.09 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2wo0 s LEU 242 CO 0.16 0.15 0.13 -0.76 0.23 0.00 0.00 176.35 176.25 2wo0 s LEU 243 N -2.40 1.59 0.08 1.79 1.43 -0.85 -4.58 118.68 115.75 2wo0 s LEU 243 Ca 0.18 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2wo0 s LEU 243 Cb -0.09 0.59 -0.05 0.00 0.03 0.00 0.00 46.19 46.68 2wo0 s LEU 243 CO 0.09 -0.30 0.29 -0.54 0.23 0.00 0.00 176.35 176.11 2wo0 s LYS 244 N -1.12 3.54 -0.17 1.70 1.02 -0.03 -0.74 119.74 123.95 2wo0 s LYS 244 Ca -0.12 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.65 2wo0 s LYS 244 Cb -0.07 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2wo0 s LYS 244 CO 0.01 0.56 -0.18 0.08 -0.92 0.00 0.00 175.35 174.90 2wo0 s VAL 245 N -1.52 1.88 -0.01 3.17 1.01 0.04 -0.42 120.40 124.56 2wo0 s VAL 245 Ca 0.36 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2wo0 s VAL 245 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2wo0 s VAL 245 CO 0.24 0.51 0.07 -0.63 0.00 0.00 0.00 175.10 175.29 2wo0 s ILE 246 N 1.32 4.65 0.07 2.22 -1.09 -0.94 -2.73 121.20 124.70 2wo0 s ILE 246 Ca 0.04 -0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.11 2wo0 s ILE 246 Cb -0.13 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 2wo0 s ILE 246 CO -0.11 0.36 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.31 2wo0 s SER 247 N -1.69 2.50 0.14 3.58 0.01 -1.26 -1.90 113.70 115.07 2wo0 s SER 247 Ca 0.22 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.96 2wo0 s SER 247 Cb -0.12 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 2wo0 s SER 247 CO 0.13 0.12 -0.14 -0.31 0.41 0.00 0.00 173.24 173.45 2wo0 s TYR 248 N -0.94 1.45 -0.19 2.43 1.51 -0.00 -0.75 117.35 120.86 2wo0 s TYR 248 Ca 0.07 -0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 55.44 2wo0 s TYR 248 Cb -0.09 -0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 2wo0 s TYR 248 CO 0.03 0.17 0.21 -1.17 -1.11 0.00 0.00 175.55 173.68 2wo0 s LEU 249 N -2.62 4.20 -0.22 -1.29 2.96 -0.26 -0.63 118.68 120.82 2wo0 s LEU 249 Ca 0.11 0.33 -0.23 0.00 -0.22 0.00 0.00 54.13 54.13 2wo0 s LEU 249 Cb -0.04 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2wo0 s LEU 249 CO 0.03 0.12 0.73 -0.62 -1.32 0.00 0.00 176.35 175.29 2wo0 s ASP 250 N 0.55 6.76 0.00 3.68 2.15 0.58 -4.66 116.67 125.73 2wo0 s ASP 250 Ca 0.12 0.94 0.06 0.00 0.43 0.00 0.00 52.55 54.10 2wo0 s ASP 250 Cb -0.12 -2.39 0.09 0.00 -0.30 0.00 0.00 42.92 40.19 2wo0 s ASP 250 CO 0.02 -0.39 0.83 0.52 -0.17 0.00 0.00 175.17 175.98 2wo0 n VAL 251 N 4.98 0.32 -0.71 1.11 0.31 -1.26 -4.95 118.33 118.13 2wo0 n VAL 251 Ca 0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2wo0 n VAL 251 Cb 0.49 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.34 2wo0 n VAL 251 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wo0 n GLY 252 N 0.25 0.69 1.23 2.92 0.00 -1.26 -4.95 105.19 104.08 2wo0 n GLY 252 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2wo0 n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wo0 n ASP 253 N 0.00 3.62 -0.02 1.61 5.75 -1.26 -4.93 116.55 121.32 2wo0 n ASP 253 Ca 0.00 -1.99 -0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2wo0 n ASP 253 Cb 0.00 -0.38 -0.00 0.00 -1.03 0.00 0.00 41.12 39.71 2wo0 n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wo0 n GLY 254 N 1.57 0.33 2.25 6.12 0.00 -1.26 -4.05 105.19 110.15 2wo0 n GLY 254 Ca 0.22 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2wo0 n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wo0 n ASN 255 N -0.35 0.94 0.33 1.61 5.15 -1.26 -4.88 115.26 116.79 2wo0 n ASN 255 Ca -0.00 -2.92 0.21 0.00 -0.60 0.00 0.00 54.58 51.26 2wo0 n ASN 255 Cb 0.19 -0.63 1.13 0.00 -0.53 0.00 0.00 39.78 39.95 2wo0 n ASN 255 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2wo0 h TYR 256 N 3.60 0.00 0.00 1.20 -0.00 -1.91 0.40 116.97 120.25 2wo0 h TYR 256 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.82 2wo0 h TYR 256 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.60 2wo0 h TYR 256 CO 0.46 0.00 -0.00 -1.49 -0.00 0.00 0.00 178.16 177.13 2wo0 h TRP 257 N 0.00 0.00 -0.33 0.10 4.06 -1.91 -0.27 115.95 117.61 2wo0 h TRP 257 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wo0 h TRP 257 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 2wo0 h TRP 257 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2wo0 n ALA 258 N -2.11 2.94 -3.15 1.49 0.00 0.13 -4.38 120.51 115.44 2wo0 n ALA 258 Ca -0.03 -0.87 -0.17 0.00 0.00 0.00 0.00 53.44 52.37 2wo0 n ALA 258 Cb 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 2wo0 n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wo0 n HIS 259 N 0.43 -0.12 -1.77 0.00 8.25 -0.11 -4.74 115.22 117.16 2wo0 n HIS 259 Ca 0.14 -3.66 -0.42 0.00 -0.26 0.00 0.00 57.72 53.52 2wo0 n HIS 259 Cb 0.59 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 2wo0 n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wo0 s PRO 260 N -2.15 4.13 -0.81 -0.41 0.04 -1.26 -1.10 135.00 133.43 2wo0 s PRO 260 Ca 0.38 2.58 -0.18 0.00 0.04 0.00 0.00 61.00 63.82 2wo0 s PRO 260 Cb 0.34 -3.05 0.14 0.00 0.04 0.00 0.00 34.50 31.97 2wo0 s PRO 260 CO -0.08 -0.67 0.94 0.42 0.04 0.00 0.00 177.00 177.65 2wo0 s ILE 261 N 0.47 4.91 0.33 0.56 1.01 0.07 -4.36 121.20 124.19 2wo0 s ILE 261 Ca 0.68 -1.55 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 2wo0 s ILE 261 Cb -0.48 -4.64 -0.09 0.00 0.01 0.00 0.00 42.46 37.25 2wo0 s ILE 261 CO 0.41 -1.32 1.08 -0.70 0.00 0.00 0.00 174.94 174.42 2wo0 s GLU 262 N 2.24 4.42 0.00 2.79 2.56 -1.26 -3.88 118.70 125.56 2wo0 s GLU 262 Ca 0.24 1.69 0.00 0.00 0.00 0.00 0.00 54.97 56.90 2wo0 s GLU 262 Cb -0.11 -2.90 0.00 0.00 2.00 0.00 0.00 34.13 33.12 2wo0 s GLU 262 CO -0.04 0.04 0.00 0.09 -0.56 0.00 0.00 175.26 174.79 2wo0 n ASN 263 N 0.63 -2.91 -4.09 -1.70 3.02 -1.26 -4.48 115.26 104.45 2wo0 n ASN 263 Ca 0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.25 2wo0 n ASN 263 Cb 0.47 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 38.99 2wo0 n ASN 263 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wo0 s LEU 264 N 0.00 1.94 0.06 3.41 2.96 -1.25 -0.46 118.68 125.34 2wo0 s LEU 264 Ca 0.00 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2wo0 s LEU 264 Cb 0.00 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 2wo0 s LEU 264 CO 0.00 0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.19 2wo0 s VAL 265 N 1.19 1.24 -0.02 1.68 1.01 -0.65 -4.47 120.40 120.38 2wo0 s VAL 265 Ca 0.01 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.84 2wo0 s VAL 265 Cb -0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2wo0 s VAL 265 CO -0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 175.10 174.81 2wo0 s ALA 266 N -1.03 1.27 -0.16 5.51 0.00 -1.11 -1.74 121.76 124.50 2wo0 s ALA 266 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2wo0 s ALA 266 Cb -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2wo0 s ALA 266 CO 0.02 0.27 -0.02 0.08 0.00 0.00 0.00 175.76 176.11 2wo0 s VAL 267 N -0.16 4.00 -0.09 0.00 1.01 -0.22 -0.78 120.40 124.17 2wo0 s VAL 267 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2wo0 s VAL 267 Cb -0.08 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2wo0 s VAL 267 CO 0.00 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 2wo0 s VAL 268 N 0.37 2.62 -0.48 2.92 1.01 0.09 -0.70 120.40 126.22 2wo0 s VAL 268 Ca -0.03 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2wo0 s VAL 268 Cb -0.14 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2wo0 s VAL 268 CO 0.03 0.56 0.52 -0.62 0.00 0.00 0.00 175.10 175.58 2wo0 s ASP 269 N -0.03 6.19 0.35 3.32 -1.08 0.09 -2.00 116.67 123.51 2wo0 s ASP 269 Ca -0.05 -1.05 0.05 0.00 -0.52 0.00 0.00 52.55 50.98 2wo0 s ASP 269 Cb -0.14 -2.24 0.65 0.00 -1.46 0.00 0.00 42.92 39.72 2wo0 s ASP 269 CO 0.04 -0.76 1.89 -0.07 0.52 0.00 0.00 175.17 176.79 2wo0 h LEU 270 N 9.27 0.45 0.75 -1.34 3.38 -1.46 0.51 115.31 126.87 2wo0 h LEU 270 Ca -0.28 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2wo0 h LEU 270 Cb 1.10 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.74 2wo0 h LEU 270 CO 0.91 0.52 -0.36 -0.33 0.09 0.00 0.00 178.44 179.27 2wo0 h GLU 271 N 0.46 -0.97 0.00 1.13 4.39 -1.93 -2.98 114.58 114.68 2wo0 h GLU 271 Ca 0.10 0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2wo0 h GLU 271 Cb 0.31 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2wo0 h GLU 271 CO 0.01 -0.65 -0.09 1.96 -1.16 0.00 0.00 179.01 179.08 2wo0 h GLN 272 N -1.20 0.00 -5.51 2.33 4.20 -1.91 -3.47 115.11 109.56 2wo0 h GLN 272 Ca -0.10 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.29 2wo0 h GLN 272 Cb 0.77 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.72 2wo0 h GLN 272 CO 0.17 0.09 -0.73 1.63 -0.67 0.00 0.00 178.83 179.31 2wo0 n LYS 273 N -4.08 -6.43 -3.98 1.46 5.02 0.18 -5.04 118.16 105.29 2wo0 n LYS 273 Ca -0.03 0.81 -0.08 0.00 -2.02 0.00 0.00 58.31 56.99 2wo0 n LYS 273 Cb 0.17 -5.73 -0.09 0.00 -0.02 0.00 0.00 35.03 29.36 2wo0 n LYS 273 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wo0 s LYS 274 N -5.36 0.60 -0.44 1.97 1.02 -1.12 -4.96 119.74 111.46 2wo0 s LYS 274 Ca 0.03 -0.93 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 2wo0 s LYS 274 Cb -0.01 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.55 2wo0 s LYS 274 CO 0.70 -0.14 1.08 0.42 -0.92 0.00 0.00 175.35 176.49 2wo0 s ILE 275 N -3.13 4.33 -2.31 2.17 1.01 -1.26 -0.73 121.20 121.28 2wo0 s ILE 275 Ca -0.00 1.26 0.28 0.00 0.00 0.00 0.00 60.65 62.19 2wo0 s ILE 275 Cb 0.02 -4.53 0.54 0.00 0.01 0.00 0.00 42.46 38.51 2wo0 s ILE 275 CO -0.07 -0.85 1.77 1.33 0.00 0.00 0.00 174.94 177.13 2wo0 n VAL 276 N 6.53 0.00 -3.63 2.92 0.24 0.13 -4.93 118.33 119.59 2wo0 n VAL 276 Ca 0.11 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 2wo0 n VAL 276 Cb 0.48 0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 33.15 2wo0 n VAL 276 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wo0 s LYS 277 N -2.09 0.31 -0.48 7.34 2.20 -1.23 -4.96 119.74 120.83 2wo0 s LYS 277 Ca 0.37 0.29 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 2wo0 s LYS 277 Cb 0.21 0.15 0.14 0.00 -1.51 0.00 0.00 37.83 36.82 2wo0 s LYS 277 CO 0.37 -0.06 0.28 0.42 -0.36 0.00 0.00 175.35 176.00 2wo0 s ILE 278 N -0.17 1.70 0.30 5.43 1.01 -1.26 -1.06 121.20 127.15 2wo0 s ILE 278 Ca 0.05 -2.87 -0.30 0.00 0.00 0.00 0.00 60.65 57.52 2wo0 s ILE 278 Cb -0.04 -2.17 -0.11 0.00 0.01 0.00 0.00 42.46 40.14 2wo0 s ILE 278 CO -0.09 -0.91 1.60 -1.61 0.00 0.00 0.00 174.94 173.93 2wo0 s GLU 279 N 0.03 4.11 -0.01 2.79 2.02 -0.71 -4.89 118.70 122.04 2wo0 s GLU 279 Ca 0.19 2.60 0.01 0.00 0.02 0.00 0.00 54.97 57.78 2wo0 s GLU 279 Cb -0.21 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.02 2wo0 s GLU 279 CO -0.03 -0.64 -0.01 -1.21 0.02 0.00 0.00 175.26 173.39 2wo0 s GLU 280 N -0.58 0.23 0.00 1.61 2.02 -1.26 -1.64 118.70 119.08 2wo0 s GLU 280 Ca 0.63 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2wo0 s GLU 280 Cb -0.48 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.44 2wo0 s GLU 280 CO 0.49 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.15 2wo0 n GLY 281 N 3.49 4.93 3.53 -1.39 0.00 0.39 -5.02 105.19 111.10 2wo0 n GLY 281 Ca -0.19 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 2wo0 n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wo0 n PRO 282 N 0.00 0.95 -2.58 1.61 -0.02 -1.26 -4.90 135.00 128.80 2wo0 n PRO 282 Ca 0.00 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2wo0 n PRO 282 Cb 0.00 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2wo0 n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wo0 s VAL 283 N -1.26 4.52 -0.16 -1.45 1.01 -1.26 -4.70 120.40 117.10 2wo0 s VAL 283 Ca 0.62 1.82 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2wo0 s VAL 283 Cb -0.65 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.50 2wo0 s VAL 283 CO 0.58 -0.22 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 2wo0 s VAL 284 N 3.40 2.60 0.26 2.92 1.01 -1.26 -5.08 120.40 124.24 2wo0 s VAL 284 Ca 0.48 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2wo0 s VAL 284 Cb -0.17 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.00 2wo0 s VAL 284 CO 0.10 0.51 1.66 -2.65 0.00 0.00 0.00 175.10 174.73 2wo0 n PRO 285 N 4.16 2.77 -1.69 2.72 -0.02 -1.26 -4.60 135.00 137.09 2wo0 n PRO 285 Ca -0.19 0.99 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 2wo0 n PRO 285 Cb 0.51 -2.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 2wo0 n PRO 285 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wo0 n VAL 286 N 2.99 0.23 -1.74 -1.45 0.31 -1.26 -4.80 118.33 112.61 2wo0 n VAL 286 Ca 0.12 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.99 2wo0 n VAL 286 Cb 0.36 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 2wo0 n VAL 286 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2wo0 s PRO 287 N 2.14 4.14 -0.00 5.55 0.02 -1.26 -4.92 135.00 140.67 2wo0 s PRO 287 Ca 0.82 2.58 0.01 0.00 0.02 0.00 0.00 61.00 64.42 2wo0 s PRO 287 Cb -0.58 -3.26 -0.01 0.00 0.02 0.00 0.00 34.50 30.68 2wo0 s PRO 287 CO 0.39 -0.77 0.02 -1.33 -0.33 0.00 0.00 177.00 174.97 2wo0 n MET 288 N 4.57 2.69 -1.76 5.54 2.81 -1.26 -4.50 117.12 125.20 2wo0 n MET 288 Ca 0.16 -0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.64 2wo0 n MET 288 Cb 0.36 -0.82 -0.00 0.00 -0.71 0.00 0.00 33.22 32.05 2wo0 n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2wo0 n THR 289 N -1.32 1.85 -2.24 2.03 -1.04 -1.26 -4.93 114.28 107.37 2wo0 n THR 289 Ca -0.00 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.13 2wo0 n THR 289 Cb 0.01 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 2wo0 n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wo0 s ALA 290 N -0.95 3.50 -0.41 2.41 0.00 -1.26 -4.98 121.76 120.07 2wo0 s ALA 290 Ca 0.55 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.68 2wo0 s ALA 290 Cb -0.49 -3.46 0.26 0.00 0.00 0.00 0.00 23.12 19.43 2wo0 s ALA 290 CO 0.61 -0.50 0.64 0.54 0.00 0.00 0.00 175.76 177.05 2wo0 n ARG 291 N 2.27 0.77 -2.41 0.00 5.12 -1.26 -5.12 116.66 116.03 2wo0 n ARG 291 Ca 0.05 -2.91 -0.40 0.00 -1.93 0.00 0.00 57.85 52.66 2wo0 n ARG 291 Cb 0.43 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 30.38 2wo0 n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2wo0 s PRO 292 N -0.92 4.48 0.00 5.56 0.04 -1.26 -4.69 135.00 138.21 2wo0 s PRO 292 Ca 0.35 1.84 0.16 0.00 0.04 0.00 0.00 61.00 63.38 2wo0 s PRO 292 Cb 0.21 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.76 2wo0 s PRO 292 CO -0.13 0.05 0.90 1.97 0.04 0.00 0.00 177.00 179.84 2wo0 n PHE 293 N 0.86 0.00 1.68 0.56 1.16 -1.26 -4.63 117.46 115.83 2wo0 n PHE 293 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.73 2wo0 n PHE 293 Cb 0.45 0.00 0.80 0.00 -1.61 0.00 0.00 39.48 39.12 2wo0 n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2wo0 n ASP 294 N 0.30 0.18 0.00 5.98 5.68 -1.26 -4.88 116.55 122.55 2wo0 n ASP 294 Ca 0.08 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 2wo0 n ASP 294 Cb 0.36 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 2wo0 n ASP 294 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wo0 n GLY 295 N 1.15 0.40 0.48 6.12 0.00 -1.26 -4.97 105.19 107.11 2wo0 n GLY 295 Ca 0.19 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.53 2wo0 n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wo0 h ARG 296 N 3.81 0.17 -0.49 1.61 0.11 -1.91 0.23 114.38 117.91 2wo0 h ARG 296 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2wo0 h ARG 296 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2wo0 h ARG 296 CO 0.00 0.11 0.00 -0.40 0.10 0.00 0.00 179.97 179.78 2wo0 n ASP 297 N -4.46 4.47 -4.45 0.08 5.75 -1.26 -5.01 116.55 111.67 2wo0 n ASP 297 Ca 0.29 -2.62 -0.29 0.00 -0.01 0.00 0.00 54.79 52.16 2wo0 n ASP 297 Cb 1.19 -0.54 -0.12 0.00 -1.03 0.00 0.00 41.12 40.62 2wo0 n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2wo0 s ARG 298 N -2.15 1.72 0.01 0.11 1.81 0.81 -5.10 118.95 116.17 2wo0 s ARG 298 Ca 0.46 -1.20 -0.30 0.00 -1.72 0.00 0.00 55.73 52.97 2wo0 s ARG 298 Cb 0.32 -2.06 -0.05 0.00 -0.45 0.00 0.00 34.95 32.71 2wo0 s ARG 298 CO 0.18 0.48 1.22 0.08 -0.68 0.00 0.00 175.30 176.58 2wo0 s VAL 299 N -1.07 4.08 -0.46 3.52 1.01 -1.26 -5.00 120.40 121.21 2wo0 s VAL 299 Ca 0.16 1.47 -0.27 0.00 0.00 0.00 0.00 61.98 63.34 2wo0 s VAL 299 Cb -0.10 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2wo0 s VAL 299 CO 0.08 0.06 1.02 0.00 0.00 0.00 0.00 175.10 176.26 2wo0 s ALA 300 N 1.60 3.21 0.90 5.51 0.00 -1.26 -5.04 121.76 126.68 2wo0 s ALA 300 Ca 0.58 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 2wo0 s ALA 300 Cb -0.28 -3.75 0.13 0.00 0.00 0.00 0.00 23.12 19.22 2wo0 s ALA 300 CO 0.26 -2.13 1.16 -1.25 0.00 0.00 0.00 175.76 173.80 2wo0 s PRO 301 N 4.05 1.24 0.20 0.00 0.04 -1.26 -5.03 135.00 134.24 2wo0 s PRO 301 Ca 0.42 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 2wo0 s PRO 301 Cb -0.09 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2wo0 s PRO 301 CO 0.28 -2.11 1.16 0.00 0.04 0.00 0.00 177.00 176.37 2wo0 s ALA 302 N -3.37 3.41 -0.09 8.56 0.00 -1.26 -5.05 121.76 123.96 2wo0 s ALA 302 Ca 0.64 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2wo0 s ALA 302 Cb -0.13 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2wo0 s ALA 302 CO 0.52 -0.30 -0.10 0.08 0.00 0.00 0.00 175.76 175.96 2wo0 s VAL 303 N -0.26 1.08 0.43 0.00 1.01 -1.26 -5.13 120.40 116.28 2wo0 s VAL 303 Ca 0.51 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 2wo0 s VAL 303 Cb -0.32 -1.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 2wo0 s VAL 303 CO 0.37 0.36 1.39 0.29 0.00 0.00 0.00 175.10 177.51 2wo0 n LYS 304 N 4.34 2.20 -2.12 2.72 4.01 -1.26 -4.95 118.16 123.11 2wo0 n LYS 304 Ca -0.18 0.78 -0.38 0.00 -0.51 0.00 0.00 58.31 58.02 2wo0 n LYS 304 Cb 0.51 -2.56 0.00 0.00 -0.51 0.00 0.00 35.03 32.47 2wo0 n LYS 304 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2wo0 s PRO 305 N -2.33 3.68 -0.08 1.97 0.04 -1.26 -5.04 135.00 131.98 2wo0 s PRO 305 Ca 0.60 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.60 2wo0 s PRO 305 Cb -0.47 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.63 2wo0 s PRO 305 CO 0.58 -0.67 -0.09 1.41 0.04 0.00 0.00 177.00 178.28 2wo0 s MET 306 N -2.63 1.46 -0.03 4.56 1.75 -1.26 -5.14 119.30 118.01 2wo0 s MET 306 Ca 0.64 -0.30 0.07 0.00 -1.25 0.00 0.00 55.69 54.85 2wo0 s MET 306 Cb -0.33 -1.35 -0.02 0.00 2.84 0.00 0.00 34.83 35.98 2wo0 s MET 306 CO 0.40 -0.09 -0.24 -0.65 -0.65 0.00 0.00 175.02 173.80 2wo0 s GLN 307 N 1.05 2.07 -0.29 4.11 -0.21 -1.26 -4.98 119.66 120.15 2wo0 s GLN 307 Ca -0.08 -0.85 -0.13 0.00 0.02 0.00 0.00 55.36 54.32 2wo0 s GLN 307 Cb -0.14 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 2wo0 s GLN 307 CO -0.01 0.46 0.30 0.42 -2.12 0.00 0.00 175.29 174.35 2wo0 s ILE 308 N -0.42 5.23 0.06 1.08 1.01 -1.26 -5.08 121.20 121.81 2wo0 s ILE 308 Ca 0.05 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.10 2wo0 s ILE 308 Cb -0.10 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2wo0 s ILE 308 CO 0.00 0.14 -0.23 0.27 0.00 0.00 0.00 174.94 175.12 2wo0 s ILE 309 N 1.94 1.89 -0.48 2.92 -4.36 -1.26 -3.73 121.20 118.11 2wo0 s ILE 309 Ca 0.11 -1.34 0.03 0.00 -0.26 0.00 0.00 60.65 59.19 2wo0 s ILE 309 Cb -0.16 -1.64 0.15 0.00 1.25 0.00 0.00 42.46 42.06 2wo0 s ILE 309 CO 0.11 0.23 0.31 -1.61 0.24 0.00 0.00 174.94 174.21 2wo0 s GLU 310 N -1.34 1.42 0.00 0.37 2.02 -1.26 -5.00 118.70 114.90 2wo0 s GLU 310 Ca 0.09 -2.27 0.21 0.00 0.02 0.00 0.00 54.97 53.02 2wo0 s GLU 310 Cb -0.09 -2.33 0.88 0.00 0.10 0.00 0.00 34.13 32.69 2wo0 s GLU 310 CO 0.02 -1.23 1.66 -0.35 0.02 0.00 0.00 175.26 175.38 2wo0 n PRO 311 N 3.11 0.00 -0.53 0.39 -0.04 -1.26 -2.17 135.00 134.50 2wo0 n PRO 311 Ca 0.15 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2wo0 n PRO 311 Cb 0.37 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.61 2wo0 n PRO 311 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wo0 n GLU 312 N -1.50 3.17 0.00 0.54 1.02 -1.26 -3.47 120.64 119.13 2wo0 n GLU 312 Ca 0.05 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 2wo0 n GLU 312 Cb 0.24 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2wo0 n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wo0 n GLY 313 N -0.38 -1.92 3.95 0.62 0.00 -0.92 -4.88 105.19 101.66 2wo0 n GLY 313 Ca 0.23 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 2wo0 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wo0 s LYS 314 N 0.00 3.39 0.07 1.61 -0.14 -1.26 -4.82 119.74 118.58 2wo0 s LYS 314 Ca 0.00 -0.49 0.25 0.00 -1.36 0.00 0.00 55.97 54.37 2wo0 s LYS 314 Cb 0.00 -2.70 0.49 0.00 -1.68 0.00 0.00 37.83 33.93 2wo0 s LYS 314 CO 0.00 0.13 1.41 0.09 -0.76 0.00 0.00 175.35 176.23 2wo0 n ASN 315 N -1.75 0.57 -4.96 2.83 3.02 -1.26 -4.91 115.26 108.81 2wo0 n ASN 315 Ca -0.04 0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.31 2wo0 n ASN 315 Cb 0.57 0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.84 2wo0 n ASN 315 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2wo0 s TYR 316 N -3.09 3.47 -0.04 3.10 1.13 -1.26 -4.48 117.35 116.18 2wo0 s TYR 316 Ca 0.09 0.14 0.04 0.00 -1.41 0.00 0.00 57.07 55.93 2wo0 s TYR 316 Cb 0.15 -1.71 -0.00 0.00 -1.10 0.00 0.00 41.96 39.30 2wo0 s TYR 316 CO 0.70 0.32 -0.16 0.99 -2.51 0.00 0.00 175.55 174.89 2wo0 s THR 317 N -2.08 1.37 -0.35 -3.49 2.01 -0.26 -4.80 115.64 108.03 2wo0 s THR 317 Ca 0.36 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 2wo0 s THR 317 Cb -0.09 -1.18 0.05 0.00 0.01 0.00 0.00 72.50 71.29 2wo0 s THR 317 CO 0.31 0.40 0.12 -0.63 -0.69 0.00 0.00 174.62 174.13 2wo0 s ILE 318 N 0.00 3.77 -0.48 1.82 1.01 0.14 -1.41 121.20 126.06 2wo0 s ILE 318 Ca -0.03 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.31 2wo0 s ILE 318 Cb -0.11 -3.17 0.11 0.00 0.01 0.00 0.00 42.46 39.31 2wo0 s ILE 318 CO 0.02 -0.22 0.37 -0.89 0.00 0.00 0.00 174.94 174.22 2wo0 s THR 319 N 1.39 4.55 0.00 2.92 2.01 0.23 -1.42 115.64 125.31 2wo0 s THR 319 Ca -0.01 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.41 2wo0 s THR 319 Cb -0.20 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2wo0 s THR 319 CO 0.02 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 173.83 2wo0 n GLY 320 N 5.02 3.31 0.67 4.40 0.00 -1.02 -0.83 105.19 116.74 2wo0 n GLY 320 Ca -0.10 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2wo0 n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wo0 n ASP 321 N 9.60 2.39 -4.75 1.61 8.00 -1.26 -4.96 116.55 127.17 2wo0 n ASP 321 Ca 0.00 -1.69 -0.40 0.00 0.71 0.00 0.00 54.79 53.40 2wo0 n ASP 321 Cb 0.00 0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 2wo0 n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wo0 s MET 322 N -2.25 4.71 -0.07 -1.24 -1.94 -0.01 -2.42 119.30 116.07 2wo0 s MET 322 Ca 0.22 1.36 0.05 0.00 -1.71 0.00 0.00 55.69 55.61 2wo0 s MET 322 Cb 0.18 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.70 2wo0 s MET 322 CO 0.46 0.40 -0.23 0.42 -0.01 0.00 0.00 175.02 176.05 2wo0 s ILE 323 N -0.63 1.96 -0.08 2.53 1.01 0.66 0.74 121.20 127.40 2wo0 s ILE 323 Ca 0.42 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2wo0 s ILE 323 Cb -0.24 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 2wo0 s ILE 323 CO 0.29 0.54 -0.21 -2.28 0.00 0.00 0.00 174.94 173.28 2wo0 s HIS 324 N 0.08 2.19 -0.28 3.97 5.65 -0.50 -1.79 115.29 124.62 2wo0 s HIS 324 Ca -0.10 -0.79 0.00 0.00 0.25 0.00 0.00 55.06 54.42 2wo0 s HIS 324 Cb -0.15 -1.48 0.17 0.00 -1.18 0.00 0.00 32.58 29.94 2wo0 s HIS 324 CO 0.06 -0.31 0.49 -0.46 -0.65 0.00 0.00 174.74 173.87 2wo0 s TRP 325 N 0.24 -1.31 0.00 3.88 -0.00 -0.53 -1.11 118.94 120.12 2wo0 s TRP 325 Ca -0.12 1.06 0.00 0.00 -0.00 0.00 0.00 56.10 57.04 2wo0 s TRP 325 Cb -0.16 0.22 0.00 0.00 -0.00 0.00 0.00 33.47 33.53 2wo0 s TRP 325 CO 0.06 -0.89 0.00 0.54 -0.00 0.00 0.00 176.95 176.65 2wo0 n ARG 326 N 5.39 0.00 0.00 5.86 1.74 -1.26 -0.90 116.66 127.49 2wo0 n ARG 326 Ca -0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2wo0 n ARG 326 Cb 0.51 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.25 2wo0 n ARG 326 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wo0 n ASN 327 N 9.00 2.13 -4.84 0.55 3.02 -1.26 -4.93 115.26 118.93 2wo0 n ASN 327 Ca 0.00 -1.66 -0.37 0.00 -0.03 0.00 0.00 54.58 52.52 2wo0 n ASN 327 Cb 0.00 0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 2wo0 n ASN 327 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2wo0 s TRP 328 N -2.08 3.71 -0.02 3.10 0.52 -0.08 -0.04 118.94 124.06 2wo0 s TRP 328 Ca 0.31 1.05 0.01 0.00 0.02 0.00 0.00 56.10 57.50 2wo0 s TRP 328 Cb 0.20 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 30.19 2wo0 s TRP 328 CO 0.35 0.58 -0.04 -0.51 0.02 0.00 0.00 176.95 177.35 2wo0 s ASP 329 N -1.28 0.61 0.26 2.95 1.01 -0.96 -1.45 116.67 117.82 2wo0 s ASP 329 Ca 0.29 -0.08 -0.19 0.00 0.71 0.00 0.00 52.55 53.27 2wo0 s ASP 329 Cb -0.17 -0.17 0.02 0.00 1.01 0.00 0.00 42.92 43.61 2wo0 s ASP 329 CO 0.16 0.01 0.65 0.72 0.21 0.00 0.00 175.17 176.92 2wo0 s PHE 330 N 0.31 -0.09 -0.08 4.23 -0.12 -0.74 -0.79 117.98 120.71 2wo0 s PHE 330 Ca -0.03 -0.32 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 2wo0 s PHE 330 Cb -0.07 0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 42.89 2wo0 s PHE 330 CO -0.00 -1.15 -0.23 -1.58 -0.05 0.00 0.00 175.22 172.21 2wo0 s HIS 331 N -3.93 2.34 -0.12 3.49 5.65 -0.57 -0.24 115.29 121.90 2wo0 s HIS 331 Ca 0.13 -0.83 0.02 0.00 0.25 0.00 0.00 55.06 54.62 2wo0 s HIS 331 Cb -0.04 -1.56 0.02 0.00 -1.18 0.00 0.00 32.58 29.81 2wo0 s HIS 331 CO 0.06 -0.31 -0.17 -1.17 -0.65 0.00 0.00 174.74 172.50 2wo0 s LEU 332 N 0.14 1.81 0.00 8.88 2.96 -1.02 0.37 118.68 131.83 2wo0 s LEU 332 Ca -0.11 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2wo0 s LEU 332 Cb -0.16 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.34 2wo0 s LEU 332 CO 0.06 0.02 0.26 -1.54 -1.32 0.00 0.00 176.35 173.83 2wo0 n SER 333 N 4.28 -0.71 -3.85 3.68 3.41 -0.30 -4.82 113.62 115.30 2wo0 n SER 333 Ca -0.19 -2.32 -0.21 0.00 -0.26 0.00 0.00 58.87 55.89 2wo0 n SER 333 Cb 0.51 1.43 -0.17 0.00 -0.26 0.00 0.00 64.21 65.72 2wo0 n SER 333 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2wo0 s MET 334 N -2.67 0.81 -0.03 4.33 1.75 -1.26 0.41 119.30 122.64 2wo0 s MET 334 Ca 0.22 -0.05 0.02 0.00 -1.25 0.00 0.00 55.69 54.63 2wo0 s MET 334 Cb 0.00 -0.93 -0.03 0.00 2.84 0.00 0.00 34.83 36.71 2wo0 s MET 334 CO 0.16 -0.16 -0.05 1.21 -0.65 0.00 0.00 175.02 175.52 2wo0 s ASN 335 N 1.31 4.75 0.44 1.11 3.84 0.11 -4.95 114.94 121.55 2wo0 s ASN 335 Ca -0.05 -0.06 0.18 0.00 0.21 0.00 0.00 52.86 53.14 2wo0 s ASN 335 Cb -0.14 -1.18 1.01 0.00 -0.55 0.00 0.00 41.25 40.40 2wo0 s ASN 335 CO -0.02 0.32 1.94 0.77 -2.79 0.00 0.00 177.10 177.31 2wo0 h SER 336 N 4.78 0.00 0.00 -4.21 4.64 -1.90 -0.83 113.55 116.02 2wo0 h SER 336 Ca -0.49 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 2wo0 h SER 336 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2wo0 h SER 336 CO 0.54 0.24 -0.84 -0.09 -0.87 0.00 0.00 176.83 175.81 2wo0 h ARG 337 N 0.00 0.00 -0.07 4.77 2.43 -1.89 0.51 114.38 120.13 2wo0 h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wo0 h ARG 337 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wo0 h ARG 337 CO 0.03 0.88 0.00 1.33 -1.51 0.00 0.00 179.97 180.70 2wo0 n VAL 338 N -4.50 0.09 -4.08 0.20 0.24 -1.24 -0.98 118.33 108.07 2wo0 n VAL 338 Ca -0.23 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 2wo0 n VAL 338 Cb 0.57 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 2wo0 n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wo0 n GLY 339 N 0.92 0.49 3.76 7.63 0.00 -0.32 -4.44 105.19 113.23 2wo0 n GLY 339 Ca 0.10 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2wo0 n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wo0 s PRO 340 N 0.00 3.51 -0.06 1.61 0.04 -1.26 -0.71 135.00 138.12 2wo0 s PRO 340 Ca 0.00 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2wo0 s PRO 340 Cb 0.00 -2.51 0.02 0.00 0.04 0.00 0.00 34.50 32.05 2wo0 s PRO 340 CO 0.00 -0.93 -0.06 -1.64 0.04 0.00 0.00 177.00 174.41 2wo0 s MET 341 N -2.61 1.10 -0.25 4.56 -1.94 0.17 -4.36 119.30 115.97 2wo0 s MET 341 Ca 0.65 -0.18 -0.05 0.00 -1.71 0.00 0.00 55.69 54.40 2wo0 s MET 341 Cb -0.42 -1.07 -0.00 0.00 2.01 0.00 0.00 34.83 35.35 2wo0 s MET 341 CO 0.52 -0.09 0.00 0.42 -0.01 0.00 0.00 175.02 175.86 2wo0 s ILE 342 N 1.03 3.63 0.23 2.53 -1.09 -0.17 -1.15 121.20 126.21 2wo0 s ILE 342 Ca -0.09 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 57.85 2wo0 s ILE 342 Cb -0.14 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 2wo0 s ILE 342 CO -0.00 0.31 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.53 2wo0 s SER 343 N 1.49 2.12 -1.28 3.58 0.01 0.16 -0.59 113.70 119.20 2wo0 s SER 343 Ca 0.05 -1.17 -0.24 0.00 1.31 0.00 0.00 55.95 55.90 2wo0 s SER 343 Cb -0.15 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2wo0 s SER 343 CO -0.01 -0.42 0.56 0.35 0.41 0.00 0.00 173.24 174.13 2wo0 n THR 344 N -0.43 -3.00 -3.11 1.44 -2.24 0.13 -1.52 114.28 105.54 2wo0 n THR 344 Ca -0.06 -0.64 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 2wo0 n THR 344 Cb 0.63 -2.46 -0.05 0.00 -2.10 0.00 0.00 70.33 66.35 2wo0 n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wo0 s VAL 345 N -3.70 5.04 0.14 2.28 1.01 0.05 -4.35 120.40 120.87 2wo0 s VAL 345 Ca 0.37 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.65 2wo0 s VAL 345 Cb -0.19 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2wo0 s VAL 345 CO 0.95 0.16 -0.14 0.42 0.00 0.00 0.00 175.10 176.49 2wo0 s THR 346 N 1.52 1.45 -0.18 3.92 -4.23 0.03 -1.58 115.64 116.57 2wo0 s THR 346 Ca 0.31 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2wo0 s THR 346 Cb -0.16 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2wo0 s THR 346 CO 0.12 -0.46 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.13 2wo0 s TYR 347 N -2.38 2.83 -0.64 3.99 6.14 0.23 -2.26 117.35 125.26 2wo0 s TYR 347 Ca 0.13 -1.24 -0.27 0.00 0.64 0.00 0.00 57.07 56.33 2wo0 s TYR 347 Cb -0.04 -1.96 0.02 0.00 0.42 0.00 0.00 41.96 40.41 2wo0 s TYR 347 CO 0.04 -0.62 1.38 1.21 0.64 0.00 0.00 175.55 178.20 2wo0 s ASN 348 N 1.16 6.09 -0.46 4.32 3.84 0.95 -0.19 114.94 130.64 2wo0 s ASN 348 Ca 0.01 -0.03 -0.16 0.00 0.21 0.00 0.00 52.86 52.90 2wo0 s ASN 348 Cb -0.14 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.06 2wo0 s ASN 348 CO -0.06 -1.81 0.40 -0.62 -2.79 0.00 0.00 177.10 172.23 2wo0 s ASP 349 N 4.37 6.15 -1.28 -4.21 -1.08 -0.28 -4.63 116.67 115.71 2wo0 s ASP 349 Ca 0.46 -1.11 -0.05 0.00 -0.52 0.00 0.00 52.55 51.32 2wo0 s ASP 349 Cb -0.09 -2.19 0.05 0.00 -1.46 0.00 0.00 42.92 39.23 2wo0 s ASP 349 CO 0.21 -0.62 0.13 0.59 0.52 0.00 0.00 175.17 176.00 2wo0 n ASN 350 N 5.34 0.13 0.00 -0.34 3.02 -1.26 -0.81 115.26 121.34 2wo0 n ASN 350 Ca -0.11 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2wo0 n ASN 350 Cb 0.45 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 2wo0 n ASN 350 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wo0 n GLY 351 N -1.87 2.74 3.63 7.41 0.00 -1.26 -5.06 105.19 110.77 2wo0 n GLY 351 Ca -0.16 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2wo0 n GLY 351 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wo0 s THR 352 N -0.56 4.95 -0.13 2.61 -4.23 0.01 -5.05 115.64 113.24 2wo0 s THR 352 Ca 0.00 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 2wo0 s THR 352 Cb 0.00 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 2wo0 s THR 352 CO 0.00 0.41 1.37 -0.54 -0.54 0.00 0.00 174.62 175.31 2wo0 s LYS 353 N 0.73 4.23 -0.12 3.99 1.02 -1.26 -1.13 119.74 127.20 2wo0 s LYS 353 Ca 0.05 1.81 -0.05 0.00 0.02 0.00 0.00 55.97 57.80 2wo0 s LYS 353 Cb -0.13 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 2wo0 s LYS 353 CO 0.02 -0.73 0.06 1.03 -0.92 0.00 0.00 175.35 174.81 2wo0 s ARG 354 N 3.53 3.41 0.35 1.68 0.52 0.73 -4.87 118.95 124.31 2wo0 s ARG 354 Ca 0.60 -0.30 -0.28 0.00 -0.52 0.00 0.00 55.73 55.23 2wo0 s ARG 354 Cb -0.25 -3.04 -0.10 0.00 0.52 0.00 0.00 34.95 32.08 2wo0 s ARG 354 CO 0.19 0.60 1.30 0.15 0.02 0.00 0.00 175.30 177.56 2wo0 s LYS 355 N -0.57 4.24 0.00 3.54 1.02 -1.26 0.76 119.74 127.47 2wo0 s LYS 355 Ca 0.11 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.28 2wo0 s LYS 355 Cb -0.12 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2wo0 s LYS 355 CO 0.02 -0.27 0.00 0.28 -0.92 0.00 0.00 175.35 174.46 2wo0 n VAL 356 N 0.59 0.00 -3.69 3.17 0.31 -0.62 -0.87 118.33 117.23 2wo0 n VAL 356 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2wo0 n VAL 356 Cb 0.42 -1.06 -0.15 0.00 -0.91 0.00 0.00 33.84 32.15 2wo0 n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2wo0 s MET 357 N -1.97 0.07 0.13 5.55 -2.45 -1.14 -1.41 119.30 118.08 2wo0 s MET 357 Ca 0.00 0.53 -0.09 0.00 -1.25 0.00 0.00 55.69 54.88 2wo0 s MET 357 Cb 0.00 -0.22 -0.07 0.00 1.25 0.00 0.00 34.83 35.80 2wo0 s MET 357 CO 0.00 -0.26 1.37 -0.92 1.05 0.00 0.00 175.02 176.26 2wo0 h TYR 358 N 7.99 0.90 -1.42 4.11 3.20 -0.77 0.20 116.97 131.18 2wo0 h TYR 358 Ca -0.23 -0.38 0.13 0.00 3.14 0.00 0.00 58.73 61.39 2wo0 h TYR 358 Cb 1.12 -0.15 -0.23 0.00 1.54 0.00 0.00 36.73 39.01 2wo0 h TYR 358 CO 0.42 1.19 0.16 -2.00 -1.64 0.00 0.00 178.16 176.29 2wo0 s GLU 359 N -3.78 0.41 0.05 1.82 2.12 -1.16 -0.70 118.70 117.46 2wo0 s GLU 359 Ca -0.09 0.92 0.07 0.00 0.36 0.00 0.00 54.97 56.24 2wo0 s GLU 359 Cb 0.09 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.90 2wo0 s GLU 359 CO 0.88 -0.12 -0.20 0.20 -0.54 0.00 0.00 175.26 175.48 2wo0 s GLY 360 N 2.26 1.09 0.14 -1.50 0.00 0.25 -0.72 107.32 108.84 2wo0 s GLY 360 Ca -0.05 -1.05 -0.25 0.00 0.00 0.00 0.00 44.72 43.38 2wo0 s GLY 360 CO -0.18 -0.99 1.04 -1.35 0.00 0.00 0.00 173.10 171.63 2wo0 s SER 361 N -1.24 -0.09 0.37 1.64 1.04 -0.89 -1.00 113.70 113.53 2wo0 s SER 361 Ca 0.07 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 55.74 2wo0 s SER 361 Cb -0.09 0.45 -0.11 0.00 0.10 0.00 0.00 66.02 66.37 2wo0 s SER 361 CO 0.02 -0.85 1.41 -0.22 0.98 0.00 0.00 173.24 174.58 2wo0 s LEU 362 N -3.15 4.34 -0.18 2.42 2.96 -1.26 -2.01 118.68 121.80 2wo0 s LEU 362 Ca 0.17 2.90 -0.22 0.00 -0.22 0.00 0.00 54.13 56.76 2wo0 s LEU 362 Cb -0.01 -3.68 -0.19 0.00 0.50 0.00 0.00 46.19 42.80 2wo0 s LEU 362 CO 0.03 -0.77 0.34 1.23 -1.32 0.00 0.00 176.35 175.86 2wo0 h GLY 363 N 3.09 0.00 0.00 7.98 0.00 -0.69 -3.42 103.07 110.03 2wo0 h GLY 363 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2wo0 h GLY 363 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 2wo0 n GLY 364 N 1.51 1.13 3.34 4.60 0.00 -1.13 -4.14 105.19 110.50 2wo0 n GLY 364 Ca -0.23 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2wo0 n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wo0 s MET 365 N -2.00 1.21 -0.13 1.61 0.23 -1.26 -1.56 119.30 117.40 2wo0 s MET 365 Ca 0.00 -1.29 -0.13 0.00 -1.03 0.00 0.00 55.69 53.24 2wo0 s MET 365 Cb 0.00 0.36 0.03 0.00 -1.53 0.00 0.00 34.83 33.70 2wo0 s MET 365 CO 0.00 -0.44 0.36 -1.50 -2.03 0.00 0.00 175.02 171.41 2wo0 s ILE 366 N -4.02 0.00 -0.47 3.16 2.07 0.05 -3.60 121.20 118.40 2wo0 s ILE 366 Ca 0.22 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.47 2wo0 s ILE 366 Cb 0.04 -0.52 0.14 0.00 0.13 0.00 0.00 42.46 42.25 2wo0 s ILE 366 CO 0.04 -0.01 0.25 -0.69 -1.91 0.00 0.00 174.94 172.62 2wo0 s VAL 367 N 0.12 1.68 -0.14 4.00 1.01 0.51 -0.82 120.40 126.76 2wo0 s VAL 367 Ca -0.01 -2.78 -0.11 0.00 0.00 0.00 0.00 61.98 59.08 2wo0 s VAL 367 Cb -0.03 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2wo0 s VAL 367 CO 0.01 -0.89 0.23 -2.16 0.00 0.00 0.00 175.10 172.29 2wo0 s PRO 368 N 0.14 4.01 0.50 2.72 0.04 -1.23 -2.14 135.00 139.05 2wo0 s PRO 368 Ca 0.18 0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.29 2wo0 s PRO 368 Cb -0.23 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.00 2wo0 s PRO 368 CO -0.01 0.43 0.68 0.71 0.04 0.00 0.00 177.00 178.86 2wo0 s TYR 369 N -0.09 2.56 -0.05 0.56 1.51 -0.98 -1.93 117.35 118.93 2wo0 s TYR 369 Ca 0.15 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.95 2wo0 s TYR 369 Cb -0.13 -2.50 0.11 0.00 -0.11 0.00 0.00 41.96 39.33 2wo0 s TYR 369 CO 0.04 -0.73 1.02 0.41 -1.11 0.00 0.00 175.55 175.17 2wo0 n GLY 370 N -2.11 3.07 3.75 0.71 0.00 -1.00 -4.94 105.19 104.68 2wo0 n GLY 370 Ca 0.09 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2wo0 n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wo0 s ASP 371 N -1.61 5.96 0.02 1.61 -1.08 -1.26 -4.96 116.67 115.35 2wo0 s ASP 371 Ca 0.12 0.27 0.25 0.00 -0.52 0.00 0.00 52.55 52.66 2wo0 s ASP 371 Cb 0.10 -1.95 0.43 0.00 -1.46 0.00 0.00 42.92 40.05 2wo0 s ASP 371 CO 0.01 0.30 1.36 -0.81 0.52 0.00 0.00 175.17 176.55 2wo0 n PRO 372 N 2.71 0.06 -0.81 4.34 -0.04 -1.26 -2.95 135.00 137.05 2wo0 n PRO 372 Ca -0.18 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 2wo0 n PRO 372 Cb 0.53 -1.53 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 2wo0 n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wo0 s ASP 373 N -3.22 2.60 0.42 3.54 1.11 -1.26 -4.20 116.67 115.66 2wo0 s ASP 373 Ca 0.10 1.82 0.12 0.00 0.18 0.00 0.00 52.55 54.76 2wo0 s ASP 373 Cb 0.17 -2.40 0.97 0.00 1.07 0.00 0.00 42.92 42.72 2wo0 s ASP 373 CO 0.72 -3.24 1.99 0.16 1.18 0.00 0.00 175.17 175.97 2wo0 h ILE 374 N -1.96 0.94 -0.04 0.77 3.07 -1.97 0.45 117.51 118.75 2wo0 h ILE 374 Ca -0.50 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.75 2wo0 h ILE 374 Cb 1.29 0.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 2wo0 h ILE 374 CO 0.48 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 178.27 2wo0 n GLY 375 N -1.50 -0.56 0.00 0.16 0.00 -1.26 -4.39 105.19 97.64 2wo0 n GLY 375 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2wo0 n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wo0 n TRP 376 N -0.44 0.00 0.15 1.61 7.02 0.01 -4.73 117.44 121.07 2wo0 n TRP 376 Ca 0.17 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.82 2wo0 n TRP 376 Cb 0.17 0.00 0.75 0.00 -2.42 0.00 0.00 31.31 29.82 2wo0 n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wo0 h TYR 377 N 0.00 0.00 0.00 -5.99 -0.00 -1.07 0.25 116.97 110.16 2wo0 h TYR 377 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wo0 h TYR 377 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 2wo0 h TYR 377 CO 0.00 0.00 -1.69 1.97 -0.00 0.00 0.00 178.16 178.44 2wo0 n PHE 378 N -4.09 0.22 -1.49 0.10 -1.74 -1.26 -4.95 117.46 104.25 2wo0 n PHE 378 Ca 0.04 0.06 -0.43 0.00 -0.56 0.00 0.00 57.45 56.56 2wo0 n PHE 378 Cb 0.38 -0.57 -0.09 0.00 1.52 0.00 0.00 39.48 40.72 2wo0 n PHE 378 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2wo0 n LYS 379 N -2.30 0.59 -3.41 3.97 4.76 0.89 -4.78 118.16 117.89 2wo0 n LYS 379 Ca -0.02 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.32 2wo0 n LYS 379 Cb 0.55 -2.35 -0.10 0.00 -1.84 0.00 0.00 35.03 31.29 2wo0 n LYS 379 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wo0 s ALA 380 N 9.48 -0.55 -0.08 7.82 0.00 -1.26 -2.31 121.76 134.86 2wo0 s ALA 380 Ca 1.17 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 2wo0 s ALA 380 Cb -0.83 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2wo0 s ALA 380 CO 0.43 -1.57 1.40 0.71 0.00 0.00 0.00 175.76 176.72 2wo0 s TYR 381 N 2.39 2.66 -1.01 0.00 1.51 -0.91 -4.83 117.35 117.15 2wo0 s TYR 381 Ca 0.09 0.76 -0.13 0.00 -1.01 0.00 0.00 57.07 56.79 2wo0 s TYR 381 Cb -0.14 -3.65 0.22 0.00 -0.11 0.00 0.00 41.96 38.28 2wo0 s TYR 381 CO -0.27 -2.44 1.06 -0.51 -1.11 0.00 0.00 175.55 172.28 2wo0 s LEU 382 N 3.17 6.09 0.12 -1.29 1.02 -1.26 -0.37 118.68 126.17 2wo0 s LEU 382 Ca 0.62 -3.00 -0.25 0.00 0.02 0.00 0.00 54.13 51.52 2wo0 s LEU 382 Cb -0.28 -2.27 -0.05 0.00 0.02 0.00 0.00 46.19 43.61 2wo0 s LEU 382 CO 0.23 -0.56 1.64 0.44 0.02 0.00 0.00 176.35 178.12 2wo0 h ASP 383 N 7.39 -0.72 0.19 2.29 3.32 -1.94 0.66 116.42 127.63 2wo0 h ASP 383 Ca 0.18 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2wo0 h ASP 383 Cb 0.95 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2wo0 h ASP 383 CO 0.98 -0.31 -0.09 0.77 -1.72 0.00 0.00 179.24 178.87 2wo0 h SER 384 N -0.38 -0.22 -0.33 6.45 4.64 -1.82 -0.06 113.55 121.83 2wo0 h SER 384 Ca 0.06 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2wo0 h SER 384 Cb 0.46 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2wo0 h SER 384 CO -0.22 0.17 0.04 1.23 -0.87 0.00 0.00 176.83 177.19 2wo0 h GLY 385 N -0.65 0.60 1.50 -0.77 0.00 -1.78 0.25 103.07 102.21 2wo0 h GLY 385 Ca -0.03 -0.40 -0.25 0.00 0.00 0.00 0.00 47.33 46.65 2wo0 h GLY 385 CO 0.04 0.37 -1.34 -0.55 0.00 0.00 0.00 176.54 175.07 2wo0 h ASP 386 N 0.38 0.00 0.00 0.19 3.32 0.24 -3.41 116.42 117.14 2wo0 h ASP 386 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wo0 h ASP 386 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2wo0 h ASP 386 CO 0.01 0.98 -0.62 -1.22 -1.72 0.00 0.00 179.24 176.67 2wo0 n TYR 387 N -3.19 0.00 -1.57 4.55 4.02 -0.08 -0.49 117.16 120.39 2wo0 n TYR 387 Ca -0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2wo0 n TYR 387 Cb 0.99 -0.04 -0.00 0.00 -0.02 0.00 0.00 39.34 40.26 2wo0 n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wo0 n GLY 388 N 1.59 -2.96 0.12 2.72 0.00 0.86 -4.81 105.19 102.71 2wo0 n GLY 388 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 2wo0 n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wo0 h MET 389 N 0.21 0.31 -0.31 1.61 2.86 -0.98 -2.76 114.93 115.86 2wo0 h MET 389 Ca -0.01 -0.46 0.07 0.00 -2.06 0.00 0.00 59.70 57.24 2wo0 h MET 389 Cb 0.02 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 2wo0 h MET 389 CO 0.00 1.18 -0.17 0.78 1.06 0.00 0.00 176.91 179.77 2wo0 h GLY 390 N 1.48 0.06 1.13 8.32 0.00 -0.92 -1.71 103.07 111.43 2wo0 h GLY 390 Ca -0.12 0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.51 2wo0 h GLY 390 CO 0.19 -0.18 0.39 -0.84 0.00 0.00 0.00 176.54 176.11 2wo0 h THR 391 N -0.13 0.94 -0.62 4.70 2.02 -1.13 -0.35 112.91 118.34 2wo0 h THR 391 Ca 0.16 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wo0 h THR 391 Cb 0.38 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2wo0 h THR 391 CO -0.40 0.09 0.00 0.18 0.37 0.00 0.00 175.52 175.76 2wo0 n LEU 392 N -4.47 4.45 -4.48 2.58 4.77 -0.81 -4.96 117.00 114.07 2wo0 n LEU 392 Ca 0.09 -2.24 -0.52 0.00 -0.03 0.00 0.00 56.01 53.31 2wo0 n LEU 392 Cb 0.30 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 2wo0 n LEU 392 CO 0.34 0.77 0.35 0.41 -1.33 0.00 0.00 177.39 177.93 2wo0 n THR 393 N 1.08 1.12 -3.56 -5.08 -1.04 -0.15 -2.81 114.28 103.85 2wo0 n THR 393 Ca 0.24 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 61.60 2wo0 n THR 393 Cb 0.83 -0.21 -0.09 0.00 -1.82 0.00 0.00 70.33 69.03 2wo0 n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2wo0 s SER 394 N -0.45 6.20 0.41 8.00 0.01 0.68 -4.85 113.70 123.69 2wo0 s SER 394 Ca 0.74 0.21 -0.27 0.00 1.31 0.00 0.00 55.95 57.95 2wo0 s SER 394 Cb -1.02 -2.15 -0.10 0.00 0.21 0.00 0.00 66.02 62.97 2wo0 s SER 394 CO 0.56 -0.01 1.46 -2.84 0.41 0.00 0.00 173.24 172.81 2wo0 s PRO 395 N 1.31 3.90 0.27 12.44 0.02 -1.26 -4.62 135.00 147.07 2wo0 s PRO 395 Ca 0.11 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.33 2wo0 s PRO 395 Cb -0.14 -2.82 -0.10 0.00 0.02 0.00 0.00 34.50 31.46 2wo0 s PRO 395 CO 0.07 -0.67 1.43 0.42 -0.33 0.00 0.00 177.00 177.91 2wo0 s ILE 396 N -1.16 2.62 -0.46 2.83 -1.09 0.16 -4.96 121.20 119.14 2wo0 s ILE 396 Ca 0.57 0.54 -0.23 0.00 -2.23 0.00 0.00 60.65 59.29 2wo0 s ILE 396 Cb -0.45 -3.34 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2wo0 s ILE 396 CO 0.60 0.10 0.82 0.00 -1.23 0.00 0.00 174.94 175.22 2wo0 s ALA 397 N -0.24 3.27 0.20 9.38 0.00 -1.26 -4.93 121.76 128.17 2wo0 s ALA 397 Ca 0.57 -1.01 -0.33 0.00 0.00 0.00 0.00 51.96 51.19 2wo0 s ALA 397 Cb -0.42 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.05 2wo0 s ALA 397 CO 0.46 -2.00 1.62 -2.13 0.00 0.00 0.00 175.76 173.71 2wo0 n ARG 398 N 6.85 2.42 0.00 0.00 0.63 -1.26 -0.79 116.66 124.51 2wo0 n ARG 398 Ca 0.03 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 2wo0 n ARG 398 Cb 0.48 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.73 2wo0 n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wo0 n GLY 399 N 3.38 3.16 0.94 5.14 0.00 -1.03 -4.74 105.19 112.04 2wo0 n GLY 399 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2wo0 n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wo0 n LYS 400 N -2.00 0.05 0.16 1.61 5.02 -0.55 -4.37 118.16 118.08 2wo0 n LYS 400 Ca 0.00 0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.32 2wo0 n LYS 400 Cb 0.00 -0.58 0.32 0.00 -0.02 0.00 0.00 35.03 34.74 2wo0 n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wo0 h ASP 401 N -0.08 0.06 -5.07 4.39 3.32 -1.25 -3.44 116.42 114.34 2wo0 h ASP 401 Ca -0.04 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 2wo0 h ASP 401 Cb 0.76 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.14 2wo0 h ASP 401 CO -0.03 0.45 -0.68 0.00 -1.72 0.00 0.00 179.24 177.26 2wo0 s ALA 402 N -4.16 0.67 0.80 3.45 0.00 -1.25 -4.94 121.76 116.33 2wo0 s ALA 402 Ca -0.03 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.53 2wo0 s ALA 402 Cb 0.14 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.62 2wo0 s ALA 402 CO 0.74 -0.34 1.18 -1.25 0.00 0.00 0.00 175.76 176.09 2wo0 s PRO 403 N -3.90 1.75 0.00 0.00 0.04 -1.26 -2.45 135.00 129.17 2wo0 s PRO 403 Ca 0.10 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.84 2wo0 s PRO 403 Cb 0.07 -1.80 0.25 0.00 0.04 0.00 0.00 34.50 33.06 2wo0 s PRO 403 CO -0.08 -2.10 1.19 -1.13 0.04 0.00 0.00 177.00 174.92 2wo0 n SER 404 N -3.32 0.00 -1.65 6.66 3.41 -1.26 -1.35 113.62 116.11 2wo0 n SER 404 Ca 0.13 0.50 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 2wo0 n SER 404 Cb 0.51 -0.50 0.36 0.00 -0.26 0.00 0.00 64.21 64.32 2wo0 n SER 404 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wo0 n ASN 405 N -1.50 5.20 -4.87 4.04 6.94 -1.24 -4.86 115.26 118.96 2wo0 n ASN 405 Ca 0.01 -2.99 -0.31 0.00 -0.02 0.00 0.00 54.58 51.27 2wo0 n ASN 405 Cb 0.07 -0.66 0.01 0.00 -2.36 0.00 0.00 39.78 36.84 2wo0 n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wo0 s ALA 406 N -2.82 3.10 -0.11 -2.53 0.00 -0.45 -4.65 121.76 114.29 2wo0 s ALA 406 Ca 0.52 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2wo0 s ALA 406 Cb 0.40 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 2wo0 s ALA 406 CO 0.14 -0.66 -0.18 0.08 0.00 0.00 0.00 175.76 175.14 2wo0 s VAL 407 N -3.14 2.65 -0.19 0.00 1.01 0.13 -4.26 120.40 116.60 2wo0 s VAL 407 Ca 0.55 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 2wo0 s VAL 407 Cb -0.11 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2wo0 s VAL 407 CO 0.53 0.54 -0.06 -0.76 0.00 0.00 0.00 175.10 175.35 2wo0 s LEU 408 N 0.27 2.92 0.05 3.92 1.43 -1.26 -0.59 118.68 125.42 2wo0 s LEU 408 Ca -0.12 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2wo0 s LEU 408 Cb -0.16 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2wo0 s LEU 408 CO 0.07 0.06 0.36 -0.76 0.23 0.00 0.00 176.35 176.31 2wo0 s LEU 409 N 1.01 4.36 0.42 1.79 1.43 0.36 -4.72 118.68 123.34 2wo0 s LEU 409 Ca 0.00 0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 53.79 2wo0 s LEU 409 Cb -0.15 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2wo0 s LEU 409 CO -0.00 0.21 0.71 0.20 0.23 0.00 0.00 176.35 177.70 2wo0 s ASN 410 N -1.70 6.33 0.01 2.29 0.01 -1.26 0.69 114.94 121.31 2wo0 s ASN 410 Ca 0.31 0.84 -0.10 0.00 -0.71 0.00 0.00 52.86 53.21 2wo0 s ASN 410 Cb -0.14 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.32 2wo0 s ASN 410 CO 0.17 -0.46 0.19 -1.61 -1.51 0.00 0.00 177.10 173.89 2wo0 s GLU 411 N -4.39 0.57 -0.19 -0.60 0.41 -0.59 -4.86 118.70 109.05 2wo0 s GLU 411 Ca 0.46 -0.40 0.01 0.00 -0.41 0.00 0.00 54.97 54.64 2wo0 s GLU 411 Cb -0.10 0.24 0.03 0.00 -1.78 0.00 0.00 34.13 32.52 2wo0 s GLU 411 CO 0.40 -0.15 -0.17 0.99 -0.49 0.00 0.00 175.26 175.83 2wo0 s THR 412 N -1.61 2.00 0.39 3.63 2.01 -1.26 0.18 115.64 120.98 2wo0 s THR 412 Ca -0.13 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 60.88 2wo0 s THR 412 Cb -0.06 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2wo0 s THR 412 CO 0.01 0.42 0.07 0.27 -0.69 0.00 0.00 174.62 174.70 2wo0 s ILE 413 N 1.28 1.08 0.17 1.82 -4.36 -0.59 -4.89 121.20 115.70 2wo0 s ILE 413 Ca 0.02 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.19 2wo0 s ILE 413 Cb -0.14 -2.57 -0.08 0.00 1.25 0.00 0.00 42.46 40.92 2wo0 s ILE 413 CO -0.11 0.00 0.71 0.00 0.24 0.00 0.00 174.94 175.78 2wo0 s ALA 414 N -3.14 3.47 0.57 2.27 0.00 -1.26 -0.02 121.76 123.65 2wo0 s ALA 414 Ca 0.27 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2wo0 s ALA 414 Cb 0.06 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2wo0 s ALA 414 CO 0.13 0.33 0.00 -0.40 0.00 0.00 0.00 175.76 175.82 2wo0 n ASP 415 N 1.29 0.00 0.13 0.00 5.68 0.10 -4.84 116.55 118.91 2wo0 n ASP 415 Ca -0.05 -0.91 0.13 0.00 -0.50 0.00 0.00 54.79 53.45 2wo0 n ASP 415 Cb 0.50 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.79 2wo0 n ASP 415 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2wo0 h TYR 416 N -0.52 0.00 -0.66 2.11 -0.00 -1.87 -1.97 116.97 114.06 2wo0 h TYR 416 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2wo0 h TYR 416 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2wo0 h TYR 416 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 2wo0 n THR 417 N -2.47 1.05 -0.99 -0.90 -2.24 -1.26 0.18 114.28 107.65 2wo0 n THR 417 Ca 0.05 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2wo0 n THR 417 Cb 0.46 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2wo0 n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wo0 n GLY 418 N 1.42 0.44 3.85 3.38 0.00 -0.74 -4.91 105.19 108.62 2wo0 n GLY 418 Ca 0.22 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2wo0 n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wo0 s VAL 419 N -2.00 5.07 0.52 1.61 1.01 -1.26 -4.72 120.40 120.63 2wo0 s VAL 419 Ca 0.00 0.70 -0.22 0.00 0.00 0.00 0.00 61.98 62.46 2wo0 s VAL 419 Cb 0.00 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 2wo0 s VAL 419 CO 0.00 0.49 1.27 -2.84 0.00 0.00 0.00 175.10 174.02 2wo0 s PRO 420 N -1.35 3.34 -0.07 2.72 0.02 -1.26 -0.72 135.00 137.67 2wo0 s PRO 420 Ca 0.26 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.32 2wo0 s PRO 420 Cb -0.16 -2.27 0.02 0.00 0.02 0.00 0.00 34.50 32.11 2wo0 s PRO 420 CO 0.14 -0.97 -0.11 0.00 -0.33 0.00 0.00 177.00 175.74 2wo0 s MET 421 N -2.88 1.58 -0.24 5.54 0.23 0.98 -4.79 119.30 119.72 2wo0 s MET 421 Ca 0.69 -0.36 -0.18 0.00 -1.03 0.00 0.00 55.69 54.82 2wo0 s MET 421 Cb -0.35 -1.37 -0.03 0.00 -1.53 0.00 0.00 34.83 31.55 2wo0 s MET 421 CO 0.41 -0.03 0.50 -2.00 -2.03 0.00 0.00 175.02 171.88 2wo0 s GLU 422 N 0.84 4.10 -0.34 3.16 2.12 -1.26 -1.55 118.70 125.76 2wo0 s GLU 422 Ca -0.11 0.32 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 2wo0 s GLU 422 Cb -0.15 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 2wo0 s GLU 422 CO 0.02 -0.28 0.44 0.42 -0.54 0.00 0.00 175.26 175.31 2wo0 s ILE 423 N 2.09 5.09 0.36 -3.70 1.01 0.48 -4.93 121.20 121.60 2wo0 s ILE 423 Ca 0.21 0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.82 2wo0 s ILE 423 Cb -0.16 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2wo0 s ILE 423 CO 0.09 -0.14 1.04 -2.16 0.00 0.00 0.00 174.94 173.77 2wo0 s PRO 424 N 2.20 4.35 -1.48 2.79 0.04 -1.26 -1.54 135.00 140.09 2wo0 s PRO 424 Ca 0.15 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 2wo0 s PRO 424 Cb -0.16 -2.73 0.07 0.00 0.04 0.00 0.00 34.50 31.71 2wo0 s PRO 424 CO 0.12 0.02 0.92 0.54 0.04 0.00 0.00 177.00 178.64 2wo0 n ARG 425 N 0.33 -5.58 0.07 4.56 1.74 -1.20 -4.43 116.66 112.14 2wo0 n ARG 425 Ca 0.03 0.65 -0.10 0.00 -0.77 0.00 0.00 57.85 57.66 2wo0 n ARG 425 Cb 0.49 -5.55 0.01 0.00 -1.02 0.00 0.00 32.46 26.38 2wo0 n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wo0 h ALA 426 N 0.98 0.53 -3.88 7.54 0.00 0.19 0.47 119.26 125.11 2wo0 h ALA 426 Ca -0.56 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.36 2wo0 h ALA 426 Cb 1.36 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.81 2wo0 h ALA 426 CO 0.63 0.83 -0.75 0.42 0.00 0.00 0.00 179.25 180.38 2wo0 s ILE 427 N -3.38 0.41 -0.09 0.00 1.01 -1.08 -4.45 121.20 113.61 2wo0 s ILE 427 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 2wo0 s ILE 427 Cb 0.10 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2wo0 s ILE 427 CO 0.84 0.12 -0.01 0.00 0.00 0.00 0.00 174.94 175.89 2wo0 s ALA 428 N -0.04 3.22 -0.11 9.38 0.00 0.10 -0.48 121.76 133.82 2wo0 s ALA 428 Ca 0.01 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2wo0 s ALA 428 Cb -0.03 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2wo0 s ALA 428 CO -0.00 0.55 -0.23 0.08 0.00 0.00 0.00 175.76 176.16 2wo0 s VAL 429 N -0.76 2.01 -0.13 0.00 1.01 0.25 0.19 120.40 122.96 2wo0 s VAL 429 Ca 0.12 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 2wo0 s VAL 429 Cb -0.11 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.56 2wo0 s VAL 429 CO 0.02 0.55 0.53 0.72 0.00 0.00 0.00 175.10 176.91 2wo0 s PHE 430 N 0.54 -0.52 0.16 5.22 -0.71 -0.26 0.22 117.98 122.62 2wo0 s PHE 430 Ca -0.14 1.13 -0.13 0.00 -1.04 0.00 0.00 56.93 56.75 2wo0 s PHE 430 Cb -0.17 0.23 -0.07 0.00 -1.21 0.00 0.00 43.02 41.80 2wo0 s PHE 430 CO 0.05 -0.38 0.54 -2.00 -1.34 0.00 0.00 175.22 172.08 2wo0 s GLU 431 N -0.39 3.93 0.02 1.99 2.12 -1.26 -0.13 118.70 124.98 2wo0 s GLU 431 Ca -0.05 0.43 -0.05 0.00 0.36 0.00 0.00 54.97 55.65 2wo0 s GLU 431 Cb -0.03 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 2wo0 s GLU 431 CO 0.04 0.45 0.09 -0.98 -0.54 0.00 0.00 175.26 174.31 2wo0 s ARG 432 N -2.12 0.51 0.04 4.30 1.70 0.27 -4.96 118.95 118.70 2wo0 s ARG 432 Ca 0.39 -0.63 -0.28 0.00 -0.47 0.00 0.00 55.73 54.74 2wo0 s ARG 432 Cb -0.14 0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 2wo0 s ARG 432 CO 0.19 -0.12 0.89 -0.47 -1.08 0.00 0.00 175.30 174.72 2wo0 s TYR 433 N -2.07 3.72 -0.27 5.89 5.04 -1.26 -1.61 117.35 126.79 2wo0 s TYR 433 Ca -0.10 1.63 0.14 0.00 -2.44 0.00 0.00 57.07 56.31 2wo0 s TYR 433 Cb -0.04 -2.99 0.48 0.00 0.35 0.00 0.00 41.96 39.75 2wo0 s TYR 433 CO -0.02 0.14 1.15 0.00 -1.34 0.00 0.00 175.55 175.49 2wo0 n ALA 434 N 3.24 3.87 0.00 3.97 0.00 0.18 -4.94 120.51 126.83 2wo0 n ALA 434 Ca 0.02 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.16 2wo0 n ALA 434 Cb 0.50 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2wo0 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wo0 n GLY 435 N -0.65 -1.96 3.71 0.00 0.00 -1.26 -4.67 105.19 100.36 2wo0 n GLY 435 Ca 0.27 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2wo0 n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wo0 s PRO 436 N 0.00 4.52 0.12 1.61 0.04 -1.26 0.37 135.00 140.39 2wo0 s PRO 436 Ca 0.00 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 2wo0 s PRO 436 Cb 0.00 -3.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 2wo0 s PRO 436 CO 0.00 -0.09 1.78 1.49 0.04 0.00 0.00 177.00 180.22 2wo0 h GLU 437 N 6.86 0.28 -3.23 4.56 4.57 -0.63 -3.42 114.58 123.56 2wo0 h GLU 437 Ca -0.39 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.78 2wo0 h GLU 437 Cb 1.20 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.65 2wo0 h GLU 437 CO 0.77 0.18 0.09 1.52 -1.18 0.00 0.00 179.01 180.40 2wo0 s TYR 438 N -6.17 -0.07 -0.25 0.92 -0.85 -1.25 -4.96 117.35 104.73 2wo0 s TYR 438 Ca -0.13 -0.31 -0.22 0.00 -0.52 0.00 0.00 57.07 55.89 2wo0 s TYR 438 Cb 0.08 0.49 0.06 0.00 0.38 0.00 0.00 41.96 42.98 2wo0 s TYR 438 CO 0.69 -1.06 0.65 0.21 -1.52 0.00 0.00 175.55 174.53 2wo0 s LYS 439 N -3.91 0.75 -0.02 -3.49 2.20 -1.26 -2.50 119.74 111.50 2wo0 s LYS 439 Ca 0.12 0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 56.67 2wo0 s LYS 439 Cb -0.03 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 2wo0 s LYS 439 CO 0.03 -0.10 0.03 -1.58 -0.36 0.00 0.00 175.35 173.37 2wo0 s HIS 440 N 0.50 0.02 -0.64 4.03 2.46 -0.53 -5.02 115.29 116.11 2wo0 s HIS 440 Ca -0.01 0.11 -0.01 0.00 0.47 0.00 0.00 55.06 55.62 2wo0 s HIS 440 Cb -0.05 -0.20 0.16 0.00 -0.13 0.00 0.00 32.58 32.37 2wo0 s HIS 440 CO -0.02 -0.08 0.45 -1.14 -2.47 0.00 0.00 174.74 171.49 2wo0 s GLN 441 N 0.90 2.55 0.33 2.88 2.00 -1.26 -1.60 119.66 125.45 2wo0 s GLN 441 Ca -0.07 -2.68 -0.28 0.00 -2.00 0.00 0.00 55.36 50.32 2wo0 s GLN 441 Cb -0.11 -3.67 -0.10 0.00 0.80 0.00 0.00 33.01 29.93 2wo0 s GLN 441 CO -0.03 -1.18 1.20 -2.00 -0.50 0.00 0.00 175.29 172.78 2wo0 s GLU 442 N -0.33 4.40 0.10 1.67 2.56 -1.26 -4.91 118.70 120.92 2wo0 s GLU 442 Ca 0.19 1.98 -0.31 0.00 0.00 0.00 0.00 54.97 56.82 2wo0 s GLU 442 Cb -0.19 -3.03 -0.10 0.00 2.00 0.00 0.00 34.13 32.82 2wo0 s GLU 442 CO -0.04 -0.07 1.78 1.41 -0.56 0.00 0.00 175.26 177.79 2wo0 s MET 443 N -1.78 4.16 0.00 4.30 -2.45 -1.26 -1.66 119.30 120.61 2wo0 s MET 443 Ca 0.49 2.51 0.00 0.00 -1.25 0.00 0.00 55.69 57.44 2wo0 s MET 443 Cb -0.35 -3.64 0.00 0.00 1.25 0.00 0.00 34.83 32.09 2wo0 s MET 443 CO 0.45 -0.82 0.00 0.41 1.05 0.00 0.00 175.02 176.11 2wo0 n GLY 444 N 4.18 1.09 3.64 2.11 0.00 -1.26 -5.03 105.19 109.92 2wo0 n GLY 444 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2wo0 n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wo0 s GLN 445 N -0.39 2.23 0.71 1.61 -1.52 -0.66 -5.10 119.66 116.53 2wo0 s GLN 445 Ca 0.00 -1.51 -0.16 0.00 -1.95 0.00 0.00 55.36 51.74 2wo0 s GLN 445 Cb 0.00 -2.10 0.03 0.00 -0.22 0.00 0.00 33.01 30.72 2wo0 s GLN 445 CO 0.00 0.30 1.27 -2.14 -0.25 0.00 0.00 175.29 174.46 2wo0 s PRO 446 N -3.69 2.18 0.63 2.91 0.02 -1.26 -4.68 135.00 131.10 2wo0 s PRO 446 Ca 0.33 1.96 -0.15 0.00 0.02 0.00 0.00 61.00 63.16 2wo0 s PRO 446 Cb -0.05 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 2wo0 s PRO 446 CO 0.20 -1.86 1.07 1.21 -0.33 0.00 0.00 177.00 177.29 2wo0 s ASN 447 N -1.67 5.57 -0.11 2.53 2.47 -1.26 -4.52 114.94 117.94 2wo0 s ASN 447 Ca 0.79 1.82 0.00 0.00 0.42 0.00 0.00 52.86 55.89 2wo0 s ASN 447 Cb -0.35 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 36.95 2wo0 s ASN 447 CO 0.44 -1.31 -0.10 -0.69 -3.72 0.00 0.00 177.10 171.72 2wo0 s VAL 448 N -2.54 1.17 -0.08 -5.21 1.01 -0.63 -5.02 120.40 109.10 2wo0 s VAL 448 Ca 0.63 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2wo0 s VAL 448 Cb -0.16 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2wo0 s VAL 448 CO 0.41 0.39 0.21 -0.44 0.00 0.00 0.00 175.10 175.66 2wo0 s SER 449 N 1.49 -0.21 0.09 3.32 0.01 -1.26 -1.45 113.70 115.69 2wo0 s SER 449 Ca 0.02 0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.75 2wo0 s SER 449 Cb -0.13 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2wo0 s SER 449 CO -0.07 -0.07 -0.14 0.42 0.41 0.00 0.00 173.24 173.79 2wo0 s THR 450 N 0.15 1.20 0.51 1.44 -4.23 -1.04 -5.01 115.64 108.66 2wo0 s THR 450 Ca -0.00 -1.50 -0.20 0.00 -1.18 0.00 0.00 61.69 58.81 2wo0 s THR 450 Cb -0.02 -1.29 -0.07 0.00 1.34 0.00 0.00 72.50 72.46 2wo0 s THR 450 CO 0.00 -0.32 1.07 -1.61 -0.54 0.00 0.00 174.62 173.22 2wo0 s GLU 451 N -2.19 3.62 -0.14 3.99 2.02 -1.26 -0.10 118.70 124.64 2wo0 s GLU 451 Ca 0.03 1.41 -0.07 0.00 0.02 0.00 0.00 54.97 56.37 2wo0 s GLU 451 Cb -0.07 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2wo0 s GLU 451 CO 0.02 -0.59 0.11 0.50 0.02 0.00 0.00 175.26 175.32 2wo0 s ARG 452 N -3.34 3.56 -0.03 1.61 3.52 0.16 -3.95 118.95 120.47 2wo0 s ARG 452 Ca 0.68 -0.21 0.05 0.00 -0.13 0.00 0.00 55.73 56.13 2wo0 s ARG 452 Cb -0.18 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 2wo0 s ARG 452 CO 0.24 0.64 -0.18 1.03 -0.81 0.00 0.00 175.30 176.21 2wo0 s ARG 453 N -0.63 1.75 -0.03 5.12 1.81 -1.26 -0.65 118.95 125.06 2wo0 s ARG 453 Ca 0.12 -0.65 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 2wo0 s ARG 453 Cb -0.12 -1.57 -0.01 0.00 -0.45 0.00 0.00 34.95 32.81 2wo0 s ARG 453 CO 0.02 0.31 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.56 2wo0 s GLU 454 N -0.15 1.69 -0.25 3.54 2.02 -0.63 -3.14 118.70 121.78 2wo0 s GLU 454 Ca 0.00 -0.65 -0.17 0.00 0.02 0.00 0.00 54.97 54.17 2wo0 s GLU 454 Cb -0.10 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 2wo0 s GLU 454 CO 0.01 0.32 0.48 -1.17 0.02 0.00 0.00 175.26 174.93 2wo0 s LEU 455 N -0.19 4.08 -0.16 1.80 2.96 -0.82 -0.56 118.68 125.79 2wo0 s LEU 455 Ca 0.01 0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 54.39 2wo0 s LEU 455 Cb -0.10 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 2wo0 s LEU 455 CO 0.01 -0.23 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.11 2wo0 s VAL 456 N 2.06 4.16 -0.22 1.68 1.01 0.81 0.23 120.40 130.13 2wo0 s VAL 456 Ca 0.21 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2wo0 s VAL 456 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2wo0 s VAL 456 CO 0.09 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 2wo0 s VAL 457 N 0.29 4.12 -0.05 2.92 1.01 0.95 -1.10 120.40 128.54 2wo0 s VAL 457 Ca -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2wo0 s VAL 457 Cb -0.13 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2wo0 s VAL 457 CO 0.02 0.40 -0.20 -0.60 0.00 0.00 0.00 175.10 174.71 2wo0 s ARG 458 N 1.21 2.05 -0.02 2.72 3.52 0.13 -1.01 118.95 127.55 2wo0 s ARG 458 Ca 0.04 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 2wo0 s ARG 458 Cb -0.14 -1.78 0.02 0.00 -1.56 0.00 0.00 34.95 31.48 2wo0 s ARG 458 CO 0.02 0.31 0.05 -0.46 -0.81 0.00 0.00 175.30 174.41 2wo0 s TRP 459 N -0.07 -0.04 -0.07 5.12 -0.00 -0.33 0.02 118.94 123.56 2wo0 s TRP 459 Ca -0.03 0.17 0.04 0.00 -0.00 0.00 0.00 56.10 56.28 2wo0 s TRP 459 Cb -0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 33.47 33.29 2wo0 s TRP 459 CO 0.02 -0.06 -0.18 0.42 -0.00 0.00 0.00 176.95 177.16 2wo0 s ILE 460 N 0.45 1.55 0.01 5.86 1.01 -1.26 -0.53 121.20 128.30 2wo0 s ILE 460 Ca -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2wo0 s ILE 460 Cb -0.05 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 2wo0 s ILE 460 CO -0.02 0.45 -0.11 -0.55 0.00 0.00 0.00 174.94 174.71 2wo0 s SER 461 N 0.32 1.26 -0.11 3.58 0.15 -0.02 -0.23 113.70 118.66 2wo0 s SER 461 Ca -0.12 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2wo0 s SER 461 Cb -0.15 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 2wo0 s SER 461 CO 0.05 0.05 -0.13 -0.89 1.20 0.00 0.00 173.24 173.52 2wo0 s THR 462 N -0.58 1.33 -0.27 6.45 2.01 -1.12 -0.22 115.64 123.23 2wo0 s THR 462 Ca 0.01 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2wo0 s THR 462 Cb -0.06 -1.24 0.08 0.00 0.01 0.00 0.00 72.50 71.29 2wo0 s THR 462 CO 0.00 0.41 0.00 -0.69 -0.69 0.00 0.00 174.62 173.66 2wo0 s VAL 463 N 1.16 1.54 0.00 3.82 1.01 -1.26 -4.87 120.40 121.80 2wo0 s VAL 463 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.44 2wo0 s VAL 463 Cb -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2wo0 s VAL 463 CO -0.03 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.33 2wo0 n GLY 464 N 4.62 2.66 2.15 4.51 0.00 -1.26 -4.81 105.19 113.06 2wo0 n GLY 464 Ca -0.06 0.26 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2wo0 n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wo0 n ASN 465 N 10.60 6.26 -3.15 1.61 6.94 -1.26 -5.01 115.26 131.24 2wo0 n ASN 465 Ca 0.00 -3.02 0.06 0.00 -0.02 0.00 0.00 54.58 51.59 2wo0 n ASN 465 Cb 0.00 -1.18 -0.02 0.00 -2.36 0.00 0.00 39.78 36.21 2wo0 n ASN 465 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2wo0 s ASP 467 N 0.58 -0.07 -0.08 0.53 1.11 -0.65 -1.59 116.67 116.50 2wo0 s ASP 467 Ca 0.46 0.05 -0.00 0.00 0.18 0.00 0.00 52.55 53.24 2wo0 s ASP 467 Cb 0.30 1.06 -0.03 0.00 1.07 0.00 0.00 42.92 45.32 2wo0 s ASP 467 CO -0.10 -0.01 -0.05 -0.31 1.18 0.00 0.00 175.17 175.87 2wo0 s TYR 468 N 2.83 2.99 -0.09 4.23 2.02 0.69 -0.83 117.35 129.19 2wo0 s TYR 468 Ca -0.08 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 2wo0 s TYR 468 Cb -0.07 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2wo0 s TYR 468 CO -0.08 0.31 -0.19 0.42 -1.57 0.00 0.00 175.55 174.43 2wo0 s ILE 469 N -0.67 2.53 -0.07 2.71 1.01 0.89 -0.84 121.20 126.76 2wo0 s ILE 469 Ca 0.10 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2wo0 s ILE 469 Cb -0.11 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 2wo0 s ILE 469 CO 0.02 0.56 -0.22 -0.36 0.00 0.00 0.00 174.94 174.93 2wo0 s PHE 470 N 0.05 2.27 -0.16 3.97 0.40 0.31 -0.11 117.98 124.71 2wo0 s PHE 470 Ca -0.08 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.47 2wo0 s PHE 470 Cb -0.15 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.87 2wo0 s PHE 470 CO 0.05 -0.29 -0.20 -0.51 0.70 0.00 0.00 175.22 174.97 2wo0 s ASP 471 N 0.15 3.26 -0.27 1.36 1.01 -0.47 -1.19 116.67 120.53 2wo0 s ASP 471 Ca -0.11 -0.59 -0.10 0.00 0.71 0.00 0.00 52.55 52.47 2wo0 s ASP 471 Cb -0.15 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 2wo0 s ASP 471 CO 0.06 0.05 0.14 0.26 0.21 0.00 0.00 175.17 175.89 2wo0 s TRP 472 N 0.98 3.17 -0.21 4.23 0.52 -0.18 -1.87 118.94 125.58 2wo0 s TRP 472 Ca -0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 55.98 2wo0 s TRP 472 Cb -0.15 -2.32 0.01 0.00 -1.15 0.00 0.00 33.47 29.86 2wo0 s TRP 472 CO -0.05 -0.24 -0.12 0.42 0.02 0.00 0.00 176.95 176.98 2wo0 s ILE 473 N 1.70 2.62 -0.36 2.03 1.01 -0.02 -0.03 121.20 128.14 2wo0 s ILE 473 Ca 0.07 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2wo0 s ILE 473 Cb -0.16 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.16 2wo0 s ILE 473 CO 0.08 0.43 0.17 -0.36 0.00 0.00 0.00 174.94 175.26 2wo0 s PHE 474 N 1.35 3.25 0.34 3.97 0.08 0.13 -0.93 117.98 126.17 2wo0 s PHE 474 Ca 0.04 -1.14 -0.26 0.00 0.12 0.00 0.00 56.93 55.69 2wo0 s PHE 474 Cb -0.14 -2.38 -0.10 0.00 -0.57 0.00 0.00 43.02 39.83 2wo0 s PHE 474 CO -0.08 -0.68 0.99 -1.01 -0.10 0.00 0.00 175.22 174.34 2wo0 s HIS 475 N 1.50 3.57 0.45 0.36 3.76 0.12 -1.94 115.29 123.11 2wo0 s HIS 475 Ca 0.01 1.74 0.11 0.00 -0.15 0.00 0.00 55.06 56.76 2wo0 s HIS 475 Cb -0.19 -3.03 1.02 0.00 1.11 0.00 0.00 32.58 31.49 2wo0 s HIS 475 CO 0.05 -0.12 2.10 1.49 -0.85 0.00 0.00 174.74 177.41 2wo0 h GLU 476 N 3.09 0.33 -0.54 1.40 4.81 -1.85 -1.41 114.58 120.41 2wo0 h GLU 476 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2wo0 h GLU 476 Cb 1.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2wo0 h GLU 476 CO 0.65 0.22 0.00 0.27 -0.73 0.00 0.00 179.01 179.41 2wo0 n ASN 477 N -4.50 1.25 0.00 1.04 0.23 -1.26 -4.82 115.26 107.20 2wo0 n ASN 477 Ca 0.01 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 2wo0 n ASN 477 Cb 0.07 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 2wo0 n ASN 477 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wo0 n GLY 478 N 0.40 1.81 3.76 4.83 0.00 -0.53 -4.79 105.19 110.67 2wo0 n GLY 478 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2wo0 n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wo0 s THR 479 N -2.43 2.80 -0.10 2.61 2.01 -1.25 -4.52 115.64 114.75 2wo0 s THR 479 Ca 0.00 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.53 2wo0 s THR 479 Cb 0.00 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.30 2wo0 s THR 479 CO 0.00 -0.08 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.10 2wo0 s ILE 480 N -1.60 1.25 0.08 1.82 1.01 0.02 -0.70 121.20 123.08 2wo0 s ILE 480 Ca 0.73 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.93 2wo0 s ILE 480 Cb -0.29 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2wo0 s ILE 480 CO 0.33 0.39 0.04 -0.83 0.00 0.00 0.00 174.94 174.88 2wo0 s GLY 481 N 1.11 1.98 -0.05 6.18 0.00 -0.10 0.23 107.32 116.66 2wo0 s GLY 481 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2wo0 s GLY 481 CO -0.02 -1.04 -0.03 -0.42 0.00 0.00 0.00 173.10 171.59 2wo0 s ILE 482 N -1.35 0.48 0.00 0.90 1.01 -0.49 -0.84 121.20 120.90 2wo0 s ILE 482 Ca 0.28 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.94 2wo0 s ILE 482 Cb -0.12 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2wo0 s ILE 482 CO 0.20 0.24 -0.15 -1.81 0.00 0.00 0.00 174.94 173.42 2wo0 s ASP 483 N 1.30 1.75 -0.08 3.58 1.11 -0.78 0.49 116.67 124.03 2wo0 s ASP 483 Ca -0.05 -0.32 0.04 0.00 0.18 0.00 0.00 52.55 52.40 2wo0 s ASP 483 Cb -0.14 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.68 2wo0 s ASP 483 CO -0.02 0.15 -0.21 0.00 1.18 0.00 0.00 175.17 176.27 2wo0 s ALA 484 N -0.46 1.95 0.01 5.23 0.00 -0.75 -1.36 121.76 126.38 2wo0 s ALA 484 Ca 0.05 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2wo0 s ALA 484 Cb -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2wo0 s ALA 484 CO -0.00 0.27 -0.08 0.20 0.00 0.00 0.00 175.76 176.15 2wo0 s GLY 485 N 0.32 1.73 -0.09 0.00 0.00 0.84 -0.58 107.32 109.53 2wo0 s GLY 485 Ca -0.15 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2wo0 s GLY 485 CO 0.07 -0.93 -0.20 0.00 0.00 0.00 0.00 173.10 172.04 2wo0 s ALA 486 N -1.00 1.91 0.00 3.20 0.00 0.20 -0.08 121.76 125.99 2wo0 s ALA 486 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2wo0 s ALA 486 Cb -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2wo0 s ALA 486 CO 0.08 0.20 0.00 -2.37 0.00 0.00 0.00 175.76 173.67 2wo0 n THR 487 N 3.67 0.00 0.00 0.00 5.66 -0.01 -1.50 114.28 122.10 2wo0 n THR 487 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2wo0 n THR 487 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2wo0 n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wo0 n GLY 488 N 0.00 0.18 3.39 1.09 0.00 -1.25 -1.64 105.19 106.96 2wo0 n GLY 488 Ca 0.00 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 2wo0 n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wo0 s ILE 489 N 0.00 2.51 0.31 -0.61 -1.09 -0.62 -0.70 121.20 121.00 2wo0 s ILE 489 Ca 0.00 -0.99 -0.27 0.00 -2.23 0.00 0.00 60.65 57.16 2wo0 s ILE 489 Cb 0.00 -1.94 -0.09 0.00 -1.58 0.00 0.00 42.46 38.85 2wo0 s ILE 489 CO 0.00 0.55 1.00 -1.61 -1.23 0.00 0.00 174.94 173.65 2wo0 s GLU 490 N -0.77 4.57 -0.45 2.79 2.02 -1.26 -4.74 118.70 120.85 2wo0 s GLU 490 Ca 0.11 1.50 -0.28 0.00 0.02 0.00 0.00 54.97 56.31 2wo0 s GLU 490 Cb -0.10 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2wo0 s GLU 490 CO 0.00 0.23 1.47 0.00 0.02 0.00 0.00 175.26 176.99 2wo0 s ALA 491 N -1.44 2.92 0.12 5.21 0.00 -1.26 -4.93 121.76 122.39 2wo0 s ALA 491 Ca 0.49 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2wo0 s ALA 491 Cb -0.24 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 2wo0 s ALA 491 CO 0.30 -2.63 0.06 0.14 0.00 0.00 0.00 175.76 173.62 2wo0 s VAL 492 N 5.92 4.21 -0.16 0.00 -7.23 -1.26 -3.69 120.40 118.20 2wo0 s VAL 492 Ca 0.61 -1.05 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2wo0 s VAL 492 Cb -0.14 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 2wo0 s VAL 492 CO 0.30 0.01 0.15 -0.75 -0.31 0.00 0.00 175.10 174.51 2wo0 s LYS 493 N -2.67 3.84 0.09 4.82 2.20 0.05 -4.81 119.74 123.26 2wo0 s LYS 493 Ca 0.28 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 2wo0 s LYS 493 Cb -0.11 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2wo0 s LYS 493 CO 0.21 0.53 1.02 0.20 -0.36 0.00 0.00 175.35 176.94 2wo0 s GLY 494 N -0.32 2.89 0.08 5.54 0.00 -1.26 -1.64 107.32 112.61 2wo0 s GLY 494 Ca 0.12 0.64 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 2wo0 s GLY 494 CO 0.02 1.61 0.04 -1.34 0.00 0.00 0.00 173.10 173.42 2wo0 s VAL 495 N 0.29 0.17 0.21 1.40 -7.23 -0.55 -4.89 120.40 109.80 2wo0 s VAL 495 Ca 0.50 -1.73 0.11 0.00 -1.81 0.00 0.00 61.98 59.05 2wo0 s VAL 495 Cb -0.25 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2wo0 s VAL 495 CO 0.30 -0.76 1.56 0.11 -0.31 0.00 0.00 175.10 176.00 2wo0 h LYS 496 N 2.98 0.00 -6.48 4.82 1.57 -1.93 -3.39 116.57 114.14 2wo0 h LYS 496 Ca -0.34 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.90 2wo0 h LYS 496 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 2wo0 h LYS 496 CO 0.62 0.65 0.68 0.00 -0.57 0.00 0.00 179.45 180.83 2wo0 s ALA 497 N -3.42 3.51 -0.03 3.86 0.00 -1.26 -4.80 121.76 119.62 2wo0 s ALA 497 Ca -0.00 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 2wo0 s ALA 497 Cb 0.12 -3.51 -0.29 0.00 0.00 0.00 0.00 23.12 19.44 2wo0 s ALA 497 CO 0.76 -0.61 0.72 0.87 0.00 0.00 0.00 175.76 177.51 2wo0 h LYS 498 N 7.02 0.30 -4.92 0.00 1.57 -1.92 0.10 116.57 118.72 2wo0 h LYS 498 Ca -0.41 -0.51 -0.36 0.00 -1.87 0.00 0.00 60.65 57.50 2wo0 h LYS 498 Cb 1.20 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 33.56 2wo0 h LYS 498 CO 0.85 1.17 -0.61 0.95 -0.57 0.00 0.00 179.45 181.24 2wo0 s THR 499 N -2.59 0.62 -1.66 -0.16 -4.23 -1.26 -4.11 115.64 102.25 2wo0 s THR 499 Ca -0.13 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.48 2wo0 s THR 499 Cb 0.06 -2.65 0.21 0.00 1.34 0.00 0.00 72.50 71.46 2wo0 s THR 499 CO 0.84 0.00 1.13 0.23 -0.54 0.00 0.00 174.62 176.28 2wo0 n MET 500 N -0.49 0.21 0.06 3.99 2.81 -1.26 -2.01 117.12 120.42 2wo0 n MET 500 Ca -0.00 0.12 0.03 0.00 -1.81 0.00 0.00 57.70 56.03 2wo0 n MET 500 Cb 0.66 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.62 2wo0 n MET 500 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2wo0 h HIS 501 N 0.00 0.00 -3.83 2.03 3.86 -2.00 -3.45 115.15 111.77 2wo0 h HIS 501 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2wo0 h HIS 501 Cb 0.05 0.00 0.18 0.00 1.06 0.00 0.00 27.41 28.70 2wo0 h HIS 501 CO 0.00 0.45 0.11 -0.25 0.86 0.00 0.00 177.93 179.10 2wo0 n ASP 502 N -2.87 0.45 -0.32 2.45 8.00 -0.85 -4.89 116.55 118.52 2wo0 n ASP 502 Ca -0.07 0.64 0.14 0.00 0.71 0.00 0.00 54.79 56.20 2wo0 n ASP 502 Cb 0.77 -1.41 0.37 0.00 -0.02 0.00 0.00 41.12 40.82 2wo0 n ASP 502 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2wo0 h GLU 503 N -0.43 0.68 -0.71 -1.24 4.57 -1.92 -2.62 114.58 112.90 2wo0 h GLU 503 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2wo0 h GLU 503 Cb 1.32 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2wo0 h GLU 503 CO 0.46 0.45 0.00 0.25 -1.18 0.00 0.00 179.01 178.99 2wo0 n THR 504 N -4.65 0.96 -0.08 0.32 -2.24 -1.26 -4.60 114.28 102.73 2wo0 n THR 504 Ca 0.21 -0.95 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 2wo0 n THR 504 Cb 0.56 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 2wo0 n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wo0 h ALA 505 N 4.31 0.35 -0.23 6.98 0.00 -1.75 0.25 119.26 129.16 2wo0 h ALA 505 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2wo0 h ALA 505 Cb 0.95 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2wo0 h ALA 505 CO 0.00 -0.12 -0.05 -0.22 0.00 0.00 0.00 179.25 178.85 2wo0 h LYS 506 N 0.33 0.01 -0.19 0.00 3.64 -1.82 0.16 116.57 118.70 2wo0 h LYS 506 Ca 0.10 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 2wo0 h LYS 506 Cb 0.05 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2wo0 h LYS 506 CO -0.02 0.01 -0.44 -0.44 -2.27 0.00 0.00 179.45 176.29 2wo0 h ASP 507 N 0.01 0.49 0.64 4.20 3.32 -1.78 -2.80 116.42 120.49 2wo0 h ASP 507 Ca 0.11 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2wo0 h ASP 507 Cb 0.17 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2wo0 h ASP 507 CO -0.23 0.86 -0.23 0.44 -1.72 0.00 0.00 179.24 178.36 2wo0 h ASP 508 N 0.37 0.00 -0.37 6.45 3.32 0.30 -3.19 116.42 123.30 2wo0 h ASP 508 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wo0 h ASP 508 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2wo0 h ASP 508 CO 0.08 0.23 0.00 0.35 -1.72 0.00 0.00 179.24 178.18 2wo0 n THR 509 N -3.58 1.52 0.25 0.35 -2.24 0.48 -4.53 114.28 106.53 2wo0 n THR 509 Ca -0.01 -1.31 0.11 0.00 -2.27 0.00 0.00 64.05 60.57 2wo0 n THR 509 Cb 0.37 0.21 0.65 0.00 -2.10 0.00 0.00 70.33 69.46 2wo0 n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wo0 h ARG 510 N 2.28 0.00 0.00 -0.78 2.43 -1.49 -3.05 114.38 113.76 2wo0 h ARG 510 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wo0 h ARG 510 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2wo0 h ARG 510 CO 0.10 0.16 -0.01 0.66 -1.51 0.00 0.00 179.97 179.37 2wo0 n TYR 511 N -3.73 0.00 0.00 2.20 4.01 -1.26 -5.05 117.16 113.32 2wo0 n TYR 511 Ca -0.02 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 2wo0 n TYR 511 Cb 0.27 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2wo0 n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wo0 n GLY 512 N -0.78 0.70 3.80 2.72 0.00 -1.15 -1.08 105.19 109.39 2wo0 n GLY 512 Ca 0.05 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 2wo0 n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wo0 s THR 513 N -2.00 4.35 -0.68 2.61 2.01 -1.20 -4.30 115.64 116.43 2wo0 s THR 513 Ca 0.00 1.58 -0.27 0.00 0.31 0.00 0.00 61.69 63.31 2wo0 s THR 513 Cb 0.00 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.66 2wo0 s THR 513 CO 0.00 0.05 1.25 -0.22 -0.69 0.00 0.00 174.62 175.02 2wo0 s LEU 514 N -2.30 3.27 0.00 4.42 2.96 -1.26 -0.44 118.68 125.32 2wo0 s LEU 514 Ca 0.51 -0.23 0.21 0.00 -0.22 0.00 0.00 54.13 54.40 2wo0 s LEU 514 Cb -0.16 -2.78 0.27 0.00 0.50 0.00 0.00 46.19 44.01 2wo0 s LEU 514 CO 0.21 -1.71 1.24 2.30 -1.32 0.00 0.00 176.35 177.07 2wo0 n ILE 515 N 6.50 0.24 -3.62 6.68 -5.35 -0.22 -4.82 119.36 118.77 2wo0 n ILE 515 Ca 0.05 -0.62 -0.02 0.00 -0.27 0.00 0.00 62.75 61.89 2wo0 n ILE 515 Cb 0.49 1.22 -0.01 0.00 -1.74 0.00 0.00 39.64 39.59 2wo0 n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wo0 s ASP 516 N -1.58 -0.14 -0.19 7.28 2.15 -1.09 -4.55 116.67 118.55 2wo0 s ASP 516 Ca 0.29 -0.12 -0.37 0.00 0.43 0.00 0.00 52.55 52.78 2wo0 s ASP 516 Cb 0.19 0.24 -0.14 0.00 -0.30 0.00 0.00 42.92 42.91 2wo0 s ASP 516 CO 0.27 -0.42 1.82 1.41 -0.17 0.00 0.00 175.17 178.09 2wo0 n HIS 517 N -0.33 2.18 -1.04 -5.34 8.25 -1.26 -0.77 115.22 116.92 2wo0 n HIS 517 Ca -0.05 0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.66 2wo0 n HIS 517 Cb 0.61 -2.56 -0.01 0.00 1.12 0.00 0.00 29.99 29.15 2wo0 n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wo0 n ASN 518 N 6.11 -4.05 -3.93 0.41 4.13 0.02 -4.95 115.26 113.01 2wo0 n ASN 518 Ca 0.25 0.03 -0.23 0.00 1.68 0.00 0.00 54.58 56.31 2wo0 n ASN 518 Cb 0.21 -1.66 -0.17 0.00 -1.54 0.00 0.00 39.78 36.62 2wo0 n ASN 518 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wo0 s ILE 519 N -1.75 0.84 -0.09 2.41 1.01 0.05 -1.48 121.20 122.19 2wo0 s ILE 519 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2wo0 s ILE 519 Cb 0.00 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2wo0 s ILE 519 CO 0.00 0.31 -0.19 -0.69 0.00 0.00 0.00 174.94 174.37 2wo0 s VAL 520 N 1.11 2.55 -0.81 2.92 1.01 -0.65 -1.05 120.40 125.48 2wo0 s VAL 520 Ca -0.07 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 2wo0 s VAL 520 Cb -0.14 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.31 2wo0 s VAL 520 CO -0.01 0.55 1.12 -0.83 0.00 0.00 0.00 175.10 175.93 2wo0 s GLY 521 N 0.06 1.49 0.10 4.51 0.00 0.41 -0.77 107.32 113.12 2wo0 s GLY 521 Ca -0.08 -2.16 -0.33 0.00 0.00 0.00 0.00 44.72 42.15 2wo0 s GLY 521 CO 0.05 2.20 1.72 2.41 0.00 0.00 0.00 173.10 179.48 2wo0 n THR 522 N 5.97 0.22 -1.59 0.90 -1.04 -1.24 -3.25 114.28 114.25 2wo0 n THR 522 Ca 0.11 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.69 2wo0 n THR 522 Cb 0.48 -1.80 0.03 0.00 -1.82 0.00 0.00 70.33 67.21 2wo0 n THR 522 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2wo0 n THR 523 N 4.17 2.83 -3.81 12.58 -1.04 -0.24 -4.92 114.28 123.85 2wo0 n THR 523 Ca 0.18 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.66 2wo0 n THR 523 Cb 0.32 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2wo0 n THR 523 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2wo0 s HIS 524 N -1.43 -0.02 0.31 -1.42 -3.43 -1.17 -2.38 115.29 105.74 2wo0 s HIS 524 Ca 0.68 -0.33 0.11 0.00 -0.80 0.00 0.00 55.06 54.72 2wo0 s HIS 524 Cb -0.49 0.67 -0.06 0.00 -1.43 0.00 0.00 32.58 31.27 2wo0 s HIS 524 CO 0.53 -0.85 -0.14 -0.65 -2.00 0.00 0.00 174.74 171.62 2wo0 s GLN 525 N -2.66 1.73 -0.23 -0.38 -0.21 -0.81 -0.49 119.66 116.61 2wo0 s GLN 525 Ca 0.17 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 53.71 2wo0 s GLN 525 Cb -0.02 -1.70 0.06 0.00 1.00 0.00 0.00 33.01 32.36 2wo0 s GLN 525 CO 0.04 0.23 -0.04 -1.01 -2.12 0.00 0.00 175.29 172.38 2wo0 s HIS 526 N -2.59 2.15 -0.25 0.91 3.76 -1.07 -3.47 115.29 114.72 2wo0 s HIS 526 Ca 0.31 -1.58 0.01 0.00 -0.15 0.00 0.00 55.06 53.65 2wo0 s HIS 526 Cb -0.01 -1.48 0.05 0.00 1.11 0.00 0.00 32.58 32.25 2wo0 s HIS 526 CO 0.15 -0.74 -0.10 0.42 -0.85 0.00 0.00 174.74 173.62 2wo0 s ILE 527 N 1.48 2.39 0.13 0.60 1.01 0.00 -1.44 121.20 125.37 2wo0 s ILE 527 Ca -0.05 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.21 2wo0 s ILE 527 Cb -0.18 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2wo0 s ILE 527 CO -0.07 0.06 0.21 -0.31 0.00 0.00 0.00 174.94 174.84 2wo0 s TYR 528 N 1.18 3.37 -0.05 3.97 2.02 0.92 -0.77 117.35 128.01 2wo0 s TYR 528 Ca -0.05 0.11 -0.04 0.00 -0.37 0.00 0.00 57.07 56.71 2wo0 s TYR 528 Cb -0.19 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2wo0 s TYR 528 CO -0.05 0.53 0.12 1.21 -1.57 0.00 0.00 175.55 175.79 2wo0 s ASN 529 N -2.96 -0.12 -0.11 2.29 3.84 -0.60 -0.88 114.94 116.40 2wo0 s ASN 529 Ca 0.33 0.24 0.03 0.00 0.21 0.00 0.00 52.86 53.68 2wo0 s ASN 529 Cb -0.11 0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.83 2wo0 s ASN 529 CO 0.26 -0.05 -0.22 -0.36 -2.79 0.00 0.00 177.10 173.95 2wo0 s PHE 530 N 0.10 2.61 -0.50 0.43 0.08 0.42 0.04 117.98 121.17 2wo0 s PHE 530 Ca -0.00 -1.06 -0.19 0.00 0.12 0.00 0.00 56.93 55.79 2wo0 s PHE 530 Cb -0.01 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2wo0 s PHE 530 CO -0.00 -0.44 0.64 0.50 -0.10 0.00 0.00 175.22 175.82 2wo0 s ARG 531 N 0.45 3.14 -0.38 0.44 3.52 -0.85 -0.82 118.95 124.44 2wo0 s ARG 531 Ca -0.15 -0.81 -0.03 0.00 -0.13 0.00 0.00 55.73 54.60 2wo0 s ARG 531 Cb -0.17 -4.08 0.10 0.00 -1.56 0.00 0.00 34.95 29.23 2wo0 s ARG 531 CO 0.06 -1.21 0.16 -0.51 -0.81 0.00 0.00 175.30 172.99 2wo0 s LEU 532 N 2.70 4.96 -1.29 -0.88 1.43 0.13 -2.09 118.68 123.64 2wo0 s LEU 532 Ca 0.16 -1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 51.24 2wo0 s LEU 532 Cb -0.18 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.29 2wo0 s LEU 532 CO 0.13 -0.48 1.75 -0.62 0.23 0.00 0.00 176.35 177.36 2wo0 s ASP 533 N 1.69 6.74 0.10 2.29 2.15 0.10 0.77 116.67 130.51 2wo0 s ASP 533 Ca 0.05 -2.40 -0.25 0.00 0.43 0.00 0.00 52.55 50.38 2wo0 s ASP 533 Cb -0.22 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.75 2wo0 s ASP 533 CO -0.03 -1.27 0.78 -0.76 -0.17 0.00 0.00 175.17 173.71 2wo0 s LEU 534 N 4.59 4.51 -0.54 -1.34 1.43 -1.26 -0.04 118.68 126.04 2wo0 s LEU 534 Ca 0.55 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 55.24 2wo0 s LEU 534 Cb 0.04 -3.28 0.13 0.00 0.03 0.00 0.00 46.19 43.12 2wo0 s LEU 534 CO 0.08 0.09 0.28 -1.81 0.23 0.00 0.00 176.35 175.22 2wo0 s ASP 535 N -0.50 4.36 -0.67 2.29 1.01 -0.50 -4.59 116.67 118.06 2wo0 s ASP 535 Ca 0.38 -3.09 -0.26 0.00 0.71 0.00 0.00 52.55 50.28 2wo0 s ASP 535 Cb -0.22 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 2wo0 s ASP 535 CO 0.25 -0.22 1.93 -0.69 0.21 0.00 0.00 175.17 176.65 2wo0 s VAL 536 N -0.40 3.34 -1.81 -1.27 1.01 -1.26 -2.55 120.40 117.47 2wo0 s VAL 536 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2wo0 s VAL 536 Cb -0.24 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2wo0 s VAL 536 CO -0.01 -0.84 0.00 -0.67 0.00 0.00 0.00 175.10 173.58 2wo0 n ASP 537 N 13.37 -5.69 0.00 3.32 -0.08 -0.05 -4.57 116.55 122.85 2wo0 n ASP 537 Ca 0.26 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 2wo0 n ASP 537 Cb 0.51 -4.80 0.00 0.00 2.34 0.00 0.00 41.12 39.17 2wo0 n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wo0 n GLY 538 N -0.89 3.12 0.09 0.27 0.00 -1.05 -4.84 105.19 101.89 2wo0 n GLY 538 Ca -0.23 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.25 2wo0 n GLY 538 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wo0 h GLU 539 N 0.00 0.00 -5.93 1.61 9.09 -1.85 -3.39 114.58 114.10 2wo0 h GLU 539 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 2wo0 h GLU 539 Cb 0.00 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 26.99 2wo0 h GLU 539 CO 0.00 0.00 0.84 -0.80 0.05 0.00 0.00 179.01 179.10 2wo0 s ASN 540 N -4.60 6.18 0.28 3.06 0.01 -1.26 -2.20 114.94 116.42 2wo0 s ASN 540 Ca 0.06 -0.74 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2wo0 s ASN 540 Cb 0.12 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.23 2wo0 s ASN 540 CO 0.71 -1.64 -0.10 0.20 -1.51 0.00 0.00 177.10 174.76 2wo0 s ASN 541 N 3.75 3.06 0.05 -1.22 0.02 -0.99 -4.19 114.94 115.41 2wo0 s ASN 541 Ca 0.30 -1.15 0.03 0.00 -1.02 0.00 0.00 52.86 51.02 2wo0 s ASN 541 Cb -0.12 -0.22 -0.02 0.00 0.02 0.00 0.00 41.25 40.91 2wo0 s ASN 541 CO 0.12 -0.24 -0.09 -0.44 0.02 0.00 0.00 177.10 176.47 2wo0 s SER 542 N -3.47 1.03 -0.25 -1.22 0.01 -0.01 -0.80 113.70 108.99 2wo0 s SER 542 Ca 0.29 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 2wo0 s SER 542 Cb 0.02 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2wo0 s SER 542 CO 0.13 -0.16 0.55 -0.22 0.41 0.00 0.00 173.24 173.95 2wo0 s LEU 543 N -1.52 4.06 0.02 2.44 2.96 -1.26 0.05 118.68 125.43 2wo0 s LEU 543 Ca -0.07 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 2wo0 s LEU 543 Cb -0.10 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 2wo0 s LEU 543 CO 0.01 -0.30 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.83 2wo0 s VAL 544 N 2.31 2.51 -0.11 1.68 1.01 0.74 -0.73 120.40 127.81 2wo0 s VAL 544 Ca 0.23 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2wo0 s VAL 544 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2wo0 s VAL 544 CO 0.09 0.41 -0.00 0.00 0.00 0.00 0.00 175.10 175.60 2wo0 s ALA 545 N -0.82 3.22 -0.25 5.51 0.00 0.95 -0.76 121.76 129.63 2wo0 s ALA 545 Ca 0.13 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 2wo0 s ALA 545 Cb -0.10 -1.54 0.07 0.00 0.00 0.00 0.00 23.12 21.55 2wo0 s ALA 545 CO 0.03 0.45 0.01 -1.64 0.00 0.00 0.00 175.76 174.61 2wo0 s MET 546 N -0.45 1.15 -0.39 0.00 -1.94 0.17 -1.28 119.30 116.56 2wo0 s MET 546 Ca 0.08 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 2wo0 s MET 546 Cb -0.12 -2.37 0.04 0.00 2.01 0.00 0.00 34.83 34.39 2wo0 s MET 546 CO 0.02 -0.71 0.23 -0.51 -0.01 0.00 0.00 175.02 174.04 2wo0 s ASP 547 N 1.54 5.77 0.18 3.03 1.01 -0.51 -0.73 116.67 126.96 2wo0 s ASP 547 Ca -0.00 -1.08 -0.33 0.00 0.71 0.00 0.00 52.55 51.85 2wo0 s ASP 547 Cb -0.18 -2.04 -0.12 0.00 1.01 0.00 0.00 42.92 41.59 2wo0 s ASP 547 CO -0.11 -0.43 1.70 -2.65 0.21 0.00 0.00 175.17 173.89 2wo0 n PRO 548 N 5.01 2.58 -4.05 8.23 -0.02 -1.26 -1.28 135.00 144.21 2wo0 n PRO 548 Ca -0.11 0.93 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 2wo0 n PRO 548 Cb 0.45 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 2wo0 n PRO 548 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wo0 s VAL 549 N 1.35 0.20 -0.57 -1.45 -7.23 0.98 -4.94 120.40 108.74 2wo0 s VAL 549 Ca 0.77 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 59.30 2wo0 s VAL 549 Cb -0.56 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.46 2wo0 s VAL 549 CO 0.35 -0.78 0.77 -0.69 -0.31 0.00 0.00 175.10 174.44 2wo0 s VAL 550 N -2.87 4.67 -0.04 1.32 1.01 -1.26 -1.02 120.40 122.22 2wo0 s VAL 550 Ca -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2wo0 s VAL 550 Cb 0.00 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2wo0 s VAL 550 CO -0.06 -1.09 0.13 -0.54 0.00 0.00 0.00 175.10 173.54 2wo0 s LYS 551 N 3.14 3.28 0.50 2.72 -0.14 -0.61 -4.89 119.74 123.75 2wo0 s LYS 551 Ca 0.18 -0.34 -0.23 0.00 -1.36 0.00 0.00 55.97 54.21 2wo0 s LYS 551 Cb -0.19 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 32.87 2wo0 s LYS 551 CO 0.11 0.69 1.30 -2.30 -0.76 0.00 0.00 175.35 174.39 2wo0 n PRO 552 N 1.32 1.76 -2.23 -1.68 -0.02 -1.26 0.19 135.00 133.08 2wo0 n PRO 552 Ca -0.14 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2wo0 n PRO 552 Cb 0.53 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 2wo0 n PRO 552 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wo0 s ASN 553 N -0.77 6.65 0.00 2.55 2.47 0.23 -4.65 114.94 121.42 2wo0 s ASN 553 Ca 0.67 1.71 0.16 0.00 0.42 0.00 0.00 52.86 55.83 2wo0 s ASN 553 Cb -0.45 -2.54 0.42 0.00 -1.45 0.00 0.00 41.25 37.23 2wo0 s ASN 553 CO 0.53 -1.02 1.34 0.35 -3.72 0.00 0.00 177.10 174.58 2wo0 n THR 554 N 5.88 0.86 -0.53 -5.21 -2.24 -1.26 -4.49 114.28 107.29 2wo0 n THR 554 Ca 0.16 -0.93 0.08 0.00 -2.27 0.00 0.00 64.05 61.10 2wo0 n THR 554 Cb 0.45 0.62 0.27 0.00 -2.10 0.00 0.00 70.33 69.57 2wo0 n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wo0 n ALA 555 N 1.02 2.70 -0.96 6.98 0.00 -1.26 -5.09 120.51 123.91 2wo0 n ALA 555 Ca 0.16 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 52.04 2wo0 n ALA 555 Cb 0.50 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2wo0 n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wo0 n GLY 556 N 0.67 -0.10 0.33 0.00 0.00 -1.26 -5.05 105.19 99.77 2wo0 n GLY 556 Ca 0.20 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.33 2wo0 n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wo0 n GLY 557 N 0.00 -1.44 0.03 -0.02 0.00 -1.26 -4.62 105.19 97.88 2wo0 n GLY 557 Ca 0.00 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2wo0 n GLY 557 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wo0 n PRO 558 N -1.78 0.11 -1.94 1.61 -0.05 -1.26 -4.88 135.00 126.81 2wo0 n PRO 558 Ca 0.00 0.05 -0.41 0.00 -0.05 0.00 0.00 63.50 63.09 2wo0 n PRO 558 Cb 0.15 -1.59 -0.01 0.00 -0.05 0.00 0.00 33.50 32.00 2wo0 n PRO 558 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 2wo0 s ARG 559 N -3.06 4.22 0.06 0.54 1.81 -1.26 -4.91 118.95 116.35 2wo0 s ARG 559 Ca 0.10 2.41 0.15 0.00 -1.72 0.00 0.00 55.73 56.67 2wo0 s ARG 559 Cb 0.16 -3.03 -0.14 0.00 -0.45 0.00 0.00 34.95 31.49 2wo0 s ARG 559 CO 0.65 -0.40 0.86 1.79 -0.68 0.00 0.00 175.30 177.53 2wo0 h THR 560 N 3.11 0.66 -3.81 0.02 1.35 -1.93 -3.42 112.91 108.89 2wo0 h THR 560 Ca -0.49 -2.24 -0.34 0.00 -0.55 0.00 0.00 66.41 62.80 2wo0 h THR 560 Cb 1.23 2.19 -0.14 0.00 -1.73 0.00 0.00 68.15 69.69 2wo0 h THR 560 CO 0.68 0.38 -0.62 -0.94 -0.25 0.00 0.00 175.52 174.76 2wo0 s SER 561 N -5.95 1.15 0.11 5.36 1.04 -1.26 -0.60 113.70 113.54 2wo0 s SER 561 Ca -0.03 -1.35 -0.06 0.00 0.48 0.00 0.00 55.95 54.99 2wo0 s SER 561 Cb 0.08 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2wo0 s SER 561 CO 0.81 -0.71 0.14 0.42 0.98 0.00 0.00 173.24 174.88 2wo0 s THR 562 N -3.76 0.13 -0.33 2.02 -4.23 0.13 -4.56 115.64 105.04 2wo0 s THR 562 Ca 0.36 -1.49 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 2wo0 s THR 562 Cb 0.08 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 2wo0 s THR 562 CO 0.12 -0.61 0.29 -0.04 -0.54 0.00 0.00 174.62 173.85 2wo0 s MET 563 N -3.93 3.64 0.29 3.99 -1.94 -1.26 -1.57 119.30 118.51 2wo0 s MET 563 Ca 0.12 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.68 2wo0 s MET 563 Cb 0.06 -3.77 -0.06 0.00 2.01 0.00 0.00 34.83 33.07 2wo0 s MET 563 CO -0.06 -0.42 0.07 -0.65 -0.01 0.00 0.00 175.02 173.95 2wo0 s GLN 564 N 1.88 1.52 0.00 2.03 -0.21 -0.19 -4.97 119.66 119.72 2wo0 s GLN 564 Ca 0.09 -1.83 0.06 0.00 0.02 0.00 0.00 55.36 53.71 2wo0 s GLN 564 Cb -0.17 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.22 2wo0 s GLN 564 CO 0.11 -0.22 -0.18 0.08 -2.12 0.00 0.00 175.29 172.96 2wo0 s VAL 565 N -3.50 2.75 -0.45 1.09 1.01 -1.26 -0.01 120.40 120.03 2wo0 s VAL 565 Ca 0.36 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2wo0 s VAL 565 Cb 0.08 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.40 2wo0 s VAL 565 CO 0.14 0.46 0.43 0.20 0.00 0.00 0.00 175.10 176.33 2wo0 s ASN 566 N -1.06 6.17 -0.25 3.32 0.01 -0.41 -4.91 114.94 117.80 2wo0 s ASN 566 Ca 0.13 -0.94 -0.11 0.00 -0.71 0.00 0.00 52.86 51.23 2wo0 s ASN 566 Cb -0.10 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 2wo0 s ASN 566 CO 0.03 -0.62 0.19 -1.58 -1.51 0.00 0.00 177.10 173.60 2wo0 s GLN 567 N 1.98 4.03 0.06 -0.60 0.74 -1.25 -1.43 119.66 123.18 2wo0 s GLN 567 Ca 0.09 -0.26 -0.07 0.00 0.05 0.00 0.00 55.36 55.17 2wo0 s GLN 567 Cb -0.20 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.32 2wo0 s GLN 567 CO 0.11 -0.05 0.13 1.52 -0.55 0.00 0.00 175.29 176.45 2wo0 s TYR 568 N 1.37 0.19 0.33 1.67 1.13 -0.41 -4.97 117.35 116.66 2wo0 s TYR 568 Ca 0.08 -0.54 -0.14 0.00 -1.41 0.00 0.00 57.07 55.06 2wo0 s TYR 568 Cb -0.15 -0.12 -0.09 0.00 -1.10 0.00 0.00 41.96 40.51 2wo0 s TYR 568 CO 0.07 -0.44 0.73 -0.80 -2.51 0.00 0.00 175.55 172.60 2wo0 s ASN 569 N -2.44 6.74 -0.61 -0.18 -0.87 -1.26 -0.03 114.94 116.28 2wo0 s ASN 569 Ca -0.00 1.25 -0.08 0.00 -1.57 0.00 0.00 52.86 52.45 2wo0 s ASN 569 Cb 0.02 -2.36 0.16 0.00 -0.02 0.00 0.00 41.25 39.05 2wo0 s ASN 569 CO -0.07 -0.22 0.48 -0.63 -2.57 0.00 0.00 177.10 174.09 2wo0 s ILE 570 N -2.01 4.39 0.31 0.60 1.01 0.09 -4.89 121.20 120.71 2wo0 s ILE 570 Ca 0.54 -2.35 0.21 0.00 0.00 0.00 0.00 60.65 59.04 2wo0 s ILE 570 Cb -0.10 -3.83 0.20 0.00 0.01 0.00 0.00 42.46 38.73 2wo0 s ILE 570 CO 0.19 -0.87 1.90 1.23 0.00 0.00 0.00 174.94 177.39 2wo0 h GLY 571 N 7.81 0.00 -2.43 6.18 0.00 -1.91 -3.41 103.07 109.31 2wo0 h GLY 571 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 2wo0 h GLY 571 CO 0.78 0.00 -0.32 0.54 0.00 0.00 0.00 176.54 177.54 2wo0 s ASN 572 N -6.45 0.01 0.20 0.19 4.22 -1.26 0.61 114.94 112.47 2wo0 s ASN 572 Ca -0.02 -1.09 -0.13 0.00 -2.14 0.00 0.00 52.86 49.48 2wo0 s ASN 572 Cb 0.13 0.49 0.23 0.00 1.28 0.00 0.00 41.25 43.38 2wo0 s ASN 572 CO 0.65 -1.00 1.66 -0.33 -2.04 0.00 0.00 177.10 176.04 2wo0 h GLU 573 N 2.42 0.07 -0.66 3.55 5.08 -1.40 -2.27 114.58 121.36 2wo0 h GLU 573 Ca -0.30 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2wo0 h GLU 573 Cb 1.25 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2wo0 h GLU 573 CO 0.43 0.04 0.10 0.37 -1.00 0.00 0.00 179.01 178.96 2wo0 h GLN 574 N 0.07 1.10 0.00 2.33 5.75 -1.85 -1.69 115.11 120.82 2wo0 h GLN 574 Ca 0.28 -0.30 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2wo0 h GLN 574 Cb 0.45 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 2wo0 h GLN 574 CO -0.52 1.01 -0.16 -0.44 -2.65 0.00 0.00 178.83 176.07 2wo0 h ASP 575 N 1.03 0.00 1.41 -0.69 3.32 -1.92 -3.04 116.42 116.53 2wo0 h ASP 575 Ca 0.20 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2wo0 h ASP 575 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2wo0 h ASP 575 CO 0.01 0.16 -0.59 0.00 -1.72 0.00 0.00 179.24 177.11 2wo0 h ALA 576 N 1.84 0.62 -1.76 3.45 0.00 -0.74 -3.42 119.26 119.25 2wo0 h ALA 576 Ca -0.00 -0.53 -0.56 0.00 0.00 0.00 0.00 54.91 53.82 2wo0 h ALA 576 Cb 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2wo0 h ALA 576 CO 0.02 0.73 1.19 0.00 0.00 0.00 0.00 179.25 181.19 2wo0 s ALA 577 N -2.92 2.84 0.12 0.00 0.00 -0.79 -4.17 121.76 116.85 2wo0 s ALA 577 Ca 0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2wo0 s ALA 577 Cb 0.08 -4.04 0.03 0.00 0.00 0.00 0.00 23.12 19.20 2wo0 s ALA 577 CO 0.76 -2.74 0.38 1.14 0.00 0.00 0.00 175.76 175.30 2wo0 s GLN 578 N 5.56 1.06 0.63 0.00 -2.07 0.27 -5.00 119.66 120.11 2wo0 s GLN 578 Ca 0.69 -0.74 -0.18 0.00 -1.82 0.00 0.00 55.36 53.31 2wo0 s GLN 578 Cb -0.17 0.46 -0.02 0.00 -1.09 0.00 0.00 33.01 32.19 2wo0 s GLN 578 CO 0.31 -0.41 1.21 0.15 -1.32 0.00 0.00 175.29 175.23 2wo0 s LYS 579 N -3.81 2.78 -0.27 9.60 -0.14 -1.26 -1.45 119.74 125.19 2wo0 s LYS 579 Ca 0.03 1.80 -0.08 0.00 -1.36 0.00 0.00 55.97 56.37 2wo0 s LYS 579 Cb 0.02 -1.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.25 2wo0 s LYS 579 CO -0.12 -1.35 0.09 0.12 -0.76 0.00 0.00 175.35 173.33 2wo0 s PHE 580 N -1.70 3.11 -0.33 3.18 5.36 -1.26 -4.78 117.98 121.57 2wo0 s PHE 580 Ca 0.77 -0.57 -0.14 0.00 -0.96 0.00 0.00 56.93 56.03 2wo0 s PHE 580 Cb -0.30 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 2wo0 s PHE 580 CO 0.36 -0.42 0.30 0.34 -1.46 0.00 0.00 175.22 174.34 2wo0 s ASP 581 N 1.59 6.13 0.00 6.13 2.15 -1.26 -4.94 116.67 126.47 2wo0 s ASP 581 Ca 0.05 -0.22 0.15 0.00 0.43 0.00 0.00 52.55 52.96 2wo0 s ASP 581 Cb -0.16 -2.17 0.77 0.00 -0.30 0.00 0.00 42.92 41.07 2wo0 s ASP 581 CO 0.04 -0.26 1.41 -0.81 -0.17 0.00 0.00 175.17 175.38 2wo0 n PRO 582 N 5.25 0.24 0.00 4.34 -0.04 -1.26 -0.88 135.00 142.65 2wo0 n PRO 582 Ca -0.11 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 2wo0 n PRO 582 Cb 0.50 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.07 2wo0 n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wo0 n GLY 583 N -0.01 -1.24 3.63 0.55 0.00 -1.26 -4.90 105.19 101.96 2wo0 n GLY 583 Ca 0.08 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2wo0 n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wo0 s THR 584 N -2.72 2.16 -0.10 2.61 -4.23 -0.06 -4.50 115.64 108.81 2wo0 s THR 584 Ca 0.22 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2wo0 s THR 584 Cb 0.19 -2.92 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 2wo0 s THR 584 CO 0.51 -0.06 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.67 2wo0 s ILE 585 N -2.65 2.03 -0.18 2.99 1.01 0.09 -4.94 121.20 119.55 2wo0 s ILE 585 Ca 0.36 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2wo0 s ILE 585 Cb 0.07 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.81 2wo0 s ILE 585 CO 0.19 0.55 -0.17 -0.13 0.00 0.00 0.00 174.94 175.38 2wo0 s ARG 586 N 0.31 2.62 0.00 2.79 1.81 -1.26 0.46 118.95 125.69 2wo0 s ARG 586 Ca -0.18 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 2wo0 s ARG 586 Cb -0.18 -2.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.85 2wo0 s ARG 586 CO 0.08 -0.27 0.06 -0.51 -0.68 0.00 0.00 175.30 173.98 2wo0 s LEU 587 N 1.35 3.77 -0.53 2.53 1.43 0.06 -1.58 118.68 125.71 2wo0 s LEU 587 Ca 0.03 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2wo0 s LEU 587 Cb -0.14 -2.20 0.11 0.00 0.03 0.00 0.00 46.19 43.99 2wo0 s LEU 587 CO -0.11 0.27 0.52 -0.22 0.23 0.00 0.00 176.35 177.04 2wo0 s LEU 588 N -1.71 5.84 0.26 1.79 2.96 0.21 -0.19 118.68 127.84 2wo0 s LEU 588 Ca 0.22 -1.57 -0.01 0.00 -0.22 0.00 0.00 54.13 52.55 2wo0 s LEU 588 Cb -0.12 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2wo0 s LEU 588 CO 0.13 -0.86 0.46 -0.44 -1.32 0.00 0.00 176.35 174.33 2wo0 s SER 589 N 3.32 6.37 -0.35 3.68 0.01 0.11 -2.11 113.70 124.73 2wo0 s SER 589 Ca 0.05 0.47 -0.11 0.00 1.31 0.00 0.00 55.95 57.67 2wo0 s SER 589 Cb -0.27 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2wo0 s SER 589 CO 0.05 -0.14 0.20 0.21 0.41 0.00 0.00 173.24 173.97 2wo0 s ASN 590 N -3.42 5.74 0.00 2.44 3.84 0.13 -0.83 114.94 122.84 2wo0 s ASN 590 Ca 0.40 -0.74 0.28 0.00 0.21 0.00 0.00 52.86 53.00 2wo0 s ASN 590 Cb -0.10 -2.04 1.31 0.00 -0.55 0.00 0.00 41.25 39.86 2wo0 s ASN 590 CO 0.31 -0.30 1.93 -0.81 -2.79 0.00 0.00 177.10 175.44 2wo0 n PRO 591 N 5.02 0.20 0.00 0.43 -0.04 -1.26 -3.01 135.00 136.34 2wo0 n PRO 591 Ca -0.13 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2wo0 n PRO 591 Cb 0.48 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.77 2wo0 n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wo0 n ASN 592 N -1.39 1.81 -3.73 3.54 3.02 -1.26 -4.92 115.26 112.33 2wo0 n ASN 592 Ca 0.10 -1.49 -0.13 0.00 -0.03 0.00 0.00 54.58 53.03 2wo0 n ASN 592 Cb 0.28 0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.40 2wo0 n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wo0 s LYS 593 N -2.17 0.16 0.30 3.52 1.02 -1.16 -5.11 119.74 116.30 2wo0 s LYS 593 Ca 0.30 0.48 0.10 0.00 0.02 0.00 0.00 55.97 56.88 2wo0 s LYS 593 Cb 0.20 -0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 2wo0 s LYS 593 CO 0.40 -0.17 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.34 2wo0 s GLU 594 N 1.30 1.89 0.66 1.68 2.02 -1.26 -0.37 118.70 124.62 2wo0 s GLU 594 Ca -0.09 -1.74 0.02 0.00 0.02 0.00 0.00 54.97 53.19 2wo0 s GLU 594 Cb -0.11 -1.86 0.10 0.00 0.10 0.00 0.00 34.13 32.37 2wo0 s GLU 594 CO -0.08 0.26 0.91 0.54 0.02 0.00 0.00 175.26 176.91 2wo0 s ASN 595 N -3.60 4.68 0.62 -0.19 4.22 0.44 -4.79 114.94 116.33 2wo0 s ASN 595 Ca 0.32 -0.43 0.26 0.00 -2.14 0.00 0.00 52.86 50.87 2wo0 s ASN 595 Cb -0.03 -0.07 1.35 0.00 1.28 0.00 0.00 41.25 43.77 2wo0 s ASN 595 CO 0.17 -1.62 1.77 -0.09 -2.04 0.00 0.00 177.10 175.29 2wo0 h ARG 596 N -0.25 0.00 -0.25 3.55 2.43 -1.90 0.26 114.38 118.22 2wo0 h ARG 596 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2wo0 h ARG 596 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2wo0 h ARG 596 CO 0.42 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.55 2wo0 n MET 597 N -3.28 1.90 -1.66 0.20 2.81 -1.26 -4.92 117.12 110.90 2wo0 n MET 597 Ca 0.06 -1.37 -0.02 0.00 -1.81 0.00 0.00 57.70 54.56 2wo0 n MET 597 Cb 0.69 -1.40 -0.00 0.00 -0.71 0.00 0.00 33.22 31.79 2wo0 n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wo0 n GLY 598 N 1.20 0.38 3.75 3.03 0.00 0.93 -5.06 105.19 109.41 2wo0 n GLY 598 Ca 0.16 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2wo0 n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wo0 s ASN 599 N -2.94 5.75 0.13 1.61 0.01 -1.25 -4.81 114.94 113.44 2wo0 s ASN 599 Ca 0.00 0.25 -0.34 0.00 -0.71 0.00 0.00 52.86 52.06 2wo0 s ASN 599 Cb 0.00 -1.80 -0.14 0.00 0.41 0.00 0.00 41.25 39.71 2wo0 s ASN 599 CO 0.00 0.35 1.55 -2.65 -1.51 0.00 0.00 177.10 174.83 2wo0 n PRO 600 N 2.39 1.96 -2.24 -0.60 -0.02 -1.26 -0.42 135.00 134.82 2wo0 n PRO 600 Ca -0.19 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2wo0 n PRO 600 Cb 0.54 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2wo0 n PRO 600 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wo0 s VAL 601 N 0.99 3.39 0.05 -1.45 -7.23 0.50 -4.76 120.40 111.90 2wo0 s VAL 601 Ca 0.81 1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 62.02 2wo0 s VAL 601 Cb -0.73 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 32.49 2wo0 s VAL 601 CO 0.40 0.12 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.86 2wo0 s SER 602 N 0.73 0.42 -0.09 4.85 0.01 -0.65 -0.70 113.70 118.28 2wo0 s SER 602 Ca 0.60 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2wo0 s SER 602 Cb -0.35 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2wo0 s SER 602 CO 0.34 -0.58 -0.08 -0.31 0.41 0.00 0.00 173.24 173.02 2wo0 s TYR 603 N -3.62 2.92 -0.07 2.43 1.51 -0.90 0.13 117.35 119.74 2wo0 s TYR 603 Ca 0.04 -0.10 -0.16 0.00 -1.01 0.00 0.00 57.07 55.83 2wo0 s TYR 603 Cb 0.06 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.10 2wo0 s TYR 603 CO -0.09 0.21 0.43 -1.14 -1.11 0.00 0.00 175.55 173.86 2wo0 s GLN 604 N -0.52 4.17 -0.26 -0.62 0.74 0.31 -0.62 119.66 122.87 2wo0 s GLN 604 Ca 0.08 0.41 -0.03 0.00 0.05 0.00 0.00 55.36 55.86 2wo0 s GLN 604 Cb -0.12 -3.35 0.02 0.00 1.10 0.00 0.00 33.01 30.66 2wo0 s GLN 604 CO 0.02 0.39 -0.02 0.42 -0.55 0.00 0.00 175.29 175.54 2wo0 s ILE 605 N -0.10 3.24 -0.35 -2.34 1.01 -0.62 -0.21 121.20 121.83 2wo0 s ILE 605 Ca 0.24 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2wo0 s ILE 605 Cb -0.16 -2.62 0.11 0.00 0.01 0.00 0.00 42.46 39.79 2wo0 s ILE 605 CO 0.11 0.21 0.10 -0.63 0.00 0.00 0.00 174.94 174.73 2wo0 s ILE 606 N 1.40 1.73 0.06 2.92 1.01 -0.13 -4.56 121.20 123.63 2wo0 s ILE 606 Ca 0.02 -2.11 0.28 0.00 0.00 0.00 0.00 60.65 58.84 2wo0 s ILE 606 Cb -0.16 -2.28 0.31 0.00 0.01 0.00 0.00 42.46 40.34 2wo0 s ILE 606 CO -0.02 -0.67 1.87 -0.65 0.00 0.00 0.00 174.94 175.46 2wo0 h PRO 607 N 7.61 0.00 -3.29 2.79 0.11 -1.90 -0.74 132.00 136.58 2wo0 h PRO 607 Ca -0.07 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.46 2wo0 h PRO 607 Cb 1.00 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.71 2wo0 h PRO 607 CO 0.51 0.11 -0.76 -0.47 -0.21 0.00 0.00 178.00 177.18 2wo0 s TYR 608 N -3.60 1.43 -0.18 0.65 5.04 -1.26 -4.64 117.35 114.78 2wo0 s TYR 608 Ca 0.01 -1.66 0.15 0.00 -2.44 0.00 0.00 57.07 53.14 2wo0 s TYR 608 Cb 0.09 -1.54 0.41 0.00 0.35 0.00 0.00 41.96 41.28 2wo0 s TYR 608 CO 0.60 -0.86 1.29 0.00 -1.34 0.00 0.00 175.55 175.25 2wo0 n ALA 609 N 4.72 3.05 0.00 3.97 0.00 -0.29 -4.87 120.51 127.08 2wo0 n ALA 609 Ca -0.01 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2wo0 n ALA 609 Cb 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2wo0 n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wo0 n GLY 610 N -1.08 2.34 3.63 0.00 0.00 -1.24 -4.70 105.19 104.15 2wo0 n GLY 610 Ca 0.21 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 2wo0 n GLY 610 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wo0 s GLY 611 N 0.00 -0.36 0.05 -0.02 0.00 -1.26 -1.16 107.32 104.57 2wo0 s GLY 611 Ca 0.00 0.79 0.23 0.00 0.00 0.00 0.00 44.72 45.74 2wo0 s GLY 611 CO 0.00 0.19 0.98 -1.30 0.00 0.00 0.00 173.10 172.97 2wo0 n THR 612 N -0.39 0.18 -3.28 0.90 -2.24 -0.11 -4.92 114.28 104.43 2wo0 n THR 612 Ca -0.06 -0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.25 2wo0 n THR 612 Cb 0.61 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 2wo0 n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wo0 s HIS 613 N -3.23 2.79 0.66 4.78 3.76 -1.26 -4.97 115.29 117.82 2wo0 s HIS 613 Ca 0.03 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.34 2wo0 s HIS 613 Cb 0.14 -2.26 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 2wo0 s HIS 613 CO 0.81 -0.26 1.27 -2.14 -0.85 0.00 0.00 174.74 173.57 2wo0 s PRO 614 N -4.24 2.49 0.26 8.40 0.02 -1.26 -4.88 135.00 135.79 2wo0 s PRO 614 Ca 0.51 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 2wo0 s PRO 614 Cb -0.07 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 2wo0 s PRO 614 CO 0.31 -1.63 0.68 0.54 -0.33 0.00 0.00 177.00 176.57 2wo0 s VAL 615 N -1.53 4.72 -0.24 3.83 0.11 -1.26 -1.55 120.40 124.46 2wo0 s VAL 615 Ca 0.80 0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 60.55 2wo0 s VAL 615 Cb -0.35 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 30.80 2wo0 s VAL 615 CO 0.40 -0.01 0.84 0.00 -3.33 0.00 0.00 175.10 173.01 2wo0 s ALA 616 N -1.77 3.65 0.16 1.54 0.00 0.78 -4.52 121.76 121.59 2wo0 s ALA 616 Ca 0.48 -0.12 0.13 0.00 0.00 0.00 0.00 51.96 52.44 2wo0 s ALA 616 Cb -0.13 -3.31 0.29 0.00 0.00 0.00 0.00 23.12 19.98 2wo0 s ALA 616 CO 0.19 -0.95 1.55 0.87 0.00 0.00 0.00 175.76 177.43 2wo0 h LYS 617 N 7.68 0.00 0.00 0.00 1.57 -1.94 -3.42 116.57 120.45 2wo0 h LYS 617 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2wo0 h LYS 617 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2wo0 h LYS 617 CO 0.88 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 180.79 2wo0 n GLY 618 N 0.60 1.81 3.72 3.86 0.00 -1.26 -4.93 105.19 108.98 2wo0 n GLY 618 Ca -0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2wo0 n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 s ALA 619 N -1.00 3.69 -0.76 4.61 0.00 -1.11 -4.89 121.76 122.31 2wo0 s ALA 619 Ca 0.00 1.27 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 2wo0 s ALA 619 Cb 0.00 -3.58 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 2wo0 s ALA 619 CO 0.00 -0.71 3.19 1.04 0.00 0.00 0.00 175.76 179.29 2wo0 n GLN 620 N 3.82 2.89 -4.10 0.00 1.13 -1.26 -4.83 117.38 115.04 2wo0 n GLN 620 Ca 0.12 -1.79 -0.14 0.00 -1.94 0.00 0.00 57.00 53.25 2wo0 n GLN 620 Cb 0.40 -2.36 -0.13 0.00 0.11 0.00 0.00 30.24 28.26 2wo0 n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2wo0 s PHE 621 N 0.97 0.59 0.74 1.08 0.08 -1.26 -5.01 117.98 115.17 2wo0 s PHE 621 Ca 0.66 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 57.21 2wo0 s PHE 621 Cb 0.26 -0.36 0.04 0.00 -0.57 0.00 0.00 43.02 42.39 2wo0 s PHE 621 CO -0.05 -0.06 1.20 0.00 -0.10 0.00 0.00 175.22 176.21 2wo0 n ALA 622 N 2.02 0.33 0.77 5.36 0.00 -1.26 -4.87 120.51 122.87 2wo0 n ALA 622 Ca -0.19 -0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.12 2wo0 n ALA 622 Cb 0.56 -2.26 0.39 0.00 0.00 0.00 0.00 19.45 18.15 2wo0 n ALA 622 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wo0 n PRO 623 N -2.64 0.29 -0.02 0.00 -0.04 -1.26 -2.51 135.00 128.83 2wo0 n PRO 623 Ca 0.14 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2wo0 n PRO 623 Cb 0.49 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.54 2wo0 n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wo0 n ASP 624 N -1.20 2.58 -4.77 3.54 5.68 -1.26 -4.70 116.55 116.42 2wo0 n ASP 624 Ca 0.08 -1.77 -0.40 0.00 -0.50 0.00 0.00 54.79 52.20 2wo0 n ASP 624 Cb 0.10 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 2wo0 n ASP 624 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2wo0 s GLU 625 N -1.48 4.38 0.07 0.11 0.41 -1.04 -4.90 118.70 116.25 2wo0 s GLU 625 Ca 0.22 2.10 -0.28 0.00 -0.41 0.00 0.00 54.97 56.60 2wo0 s GLU 625 Cb 0.15 -3.06 -0.17 0.00 -1.78 0.00 0.00 34.13 29.28 2wo0 s GLU 625 CO 0.23 -0.12 1.63 -1.49 -0.49 0.00 0.00 175.26 175.02 2wo0 h TRP 626 N 3.39 -0.41 -0.97 1.61 4.06 -1.92 0.20 115.95 121.92 2wo0 h TRP 626 Ca -0.48 -0.01 0.29 0.00 2.06 0.00 0.00 58.89 60.75 2wo0 h TRP 626 Cb 1.22 0.13 -0.15 0.00 -1.00 0.00 0.00 29.16 29.37 2wo0 h TRP 626 CO 0.56 -0.22 0.46 0.97 -3.56 0.00 0.00 178.44 176.65 2wo0 h ILE 627 N -0.49 0.30 0.43 1.49 2.10 -1.93 2.02 117.51 121.44 2wo0 h ILE 627 Ca -0.04 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 65.78 2wo0 h ILE 627 Cb 0.37 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.09 2wo0 h ILE 627 CO 0.07 0.05 -0.21 0.22 -1.08 0.00 0.00 178.15 177.21 2wo0 h TYR 628 N 0.29 -0.54 -0.86 2.19 3.20 -1.66 -1.79 116.97 117.80 2wo0 h TYR 628 Ca 0.68 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.69 2wo0 h TYR 628 Cb 1.50 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.85 2wo0 h TYR 628 CO -0.10 -0.25 0.45 1.25 -1.64 0.00 0.00 178.16 177.87 2wo0 h HIS 629 N -0.75 0.79 0.00 -3.82 2.76 0.33 -2.80 115.15 111.65 2wo0 h HIS 629 Ca -0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2wo0 h HIS 629 Cb 0.53 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2wo0 h HIS 629 CO -0.01 0.18 0.00 0.00 -1.30 0.00 0.00 177.93 176.80 2wo0 h ARG 630 N 0.63 0.00 -2.13 5.26 3.08 0.31 -3.39 114.38 118.14 2wo0 h ARG 630 Ca 0.47 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.97 2wo0 h ARG 630 Cb 0.68 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.36 2wo0 h ARG 630 CO -0.37 0.00 -1.01 1.28 -1.07 0.00 0.00 179.97 178.80 2wo0 n LEU 631 N -2.41 -0.35 0.19 3.04 4.77 -0.69 -4.07 117.00 117.48 2wo0 n LEU 631 Ca 0.05 -4.44 0.13 0.00 -0.03 0.00 0.00 56.01 51.72 2wo0 n LEU 631 Cb 0.43 0.60 0.70 0.00 -2.33 0.00 0.00 43.42 42.82 2wo0 n LEU 631 CO 0.30 1.95 1.11 0.77 -1.33 0.00 0.00 177.39 180.20 2wo0 h SER 632 N 4.92 0.00 -0.07 -1.43 4.64 -1.78 -2.60 113.55 117.23 2wo0 h SER 632 Ca 0.17 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2wo0 h SER 632 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2wo0 h SER 632 CO 0.40 0.00 0.33 2.19 -0.87 0.00 0.00 176.83 178.88 2wo0 h PHE 633 N 0.00 0.00 0.00 4.77 -0.00 -1.93 -0.84 116.94 118.94 2wo0 h PHE 633 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.05 2wo0 h PHE 633 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.28 2wo0 h PHE 633 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 178.31 180.29 2wo0 h MET 634 N 0.00 0.00 0.00 6.09 4.05 -1.85 -3.30 114.93 119.92 2wo0 h MET 634 Ca 0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2wo0 h MET 634 Cb 0.70 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2wo0 h MET 634 CO -0.00 0.00 0.00 -3.47 0.23 0.00 0.00 176.91 173.67 2wo0 n ASP 635 N -2.42 0.60 -4.39 1.39 2.03 -0.32 -2.75 116.55 110.69 2wo0 n ASP 635 Ca 0.01 -0.82 -0.29 0.00 0.52 0.00 0.00 54.79 54.22 2wo0 n ASP 635 Cb 0.22 0.30 -0.13 0.00 -0.72 0.00 0.00 41.12 40.80 2wo0 n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wo0 s LYS 636 N -0.30 1.41 -0.01 -0.67 -0.14 -1.24 -4.74 119.74 114.05 2wo0 s LYS 636 Ca 0.00 -1.36 0.16 0.00 -1.36 0.00 0.00 55.97 53.41 2wo0 s LYS 636 Cb 0.00 -1.90 -0.19 0.00 -1.68 0.00 0.00 37.83 34.06 2wo0 s LYS 636 CO 0.00 0.45 0.67 1.04 -0.76 0.00 0.00 175.35 176.75 2wo0 n GLN 637 N 0.88 0.63 -4.98 1.68 3.00 -0.52 -4.44 117.38 113.63 2wo0 n GLN 637 Ca -0.18 0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 2wo0 n GLN 637 Cb 0.53 -1.76 -0.17 0.00 0.00 0.00 0.00 30.24 28.85 2wo0 n GLN 637 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2wo0 s LEU 638 N -5.79 1.93 0.03 1.08 2.96 -0.68 -0.10 118.68 118.11 2wo0 s LEU 638 Ca -0.04 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2wo0 s LEU 638 Cb 0.08 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 2wo0 s LEU 638 CO 0.82 0.13 -0.10 0.26 -1.32 0.00 0.00 176.35 176.15 2wo0 s TRP 639 N 0.32 0.84 -0.04 5.38 0.52 -0.66 -0.56 118.94 124.73 2wo0 s TRP 639 Ca -0.13 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.62 2wo0 s TRP 639 Cb -0.16 -0.50 0.03 0.00 -1.15 0.00 0.00 33.47 31.69 2wo0 s TRP 639 CO 0.06 -0.02 -0.01 0.08 0.02 0.00 0.00 176.95 177.07 2wo0 s VAL 640 N -0.94 0.35 0.20 4.03 1.01 -1.26 -0.28 120.40 123.51 2wo0 s VAL 640 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.05 2wo0 s VAL 640 Cb -0.08 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2wo0 s VAL 640 CO 0.01 0.20 -0.15 0.42 0.00 0.00 0.00 175.10 175.58 2wo0 s THR 641 N 1.22 1.75 0.37 3.92 -4.23 -0.48 -4.53 115.64 113.67 2wo0 s THR 641 Ca -0.07 -2.17 -0.27 0.00 -1.18 0.00 0.00 61.69 57.99 2wo0 s THR 641 Cb -0.14 -2.02 -0.10 0.00 1.34 0.00 0.00 72.50 71.59 2wo0 s THR 641 CO -0.02 -0.56 1.33 -0.13 -0.54 0.00 0.00 174.62 174.70 2wo0 s ARG 642 N -3.53 4.16 0.13 3.99 0.52 -1.26 -0.15 118.95 122.80 2wo0 s ARG 642 Ca 0.22 2.24 -0.34 0.00 -0.52 0.00 0.00 55.73 57.33 2wo0 s ARG 642 Cb -0.01 -2.93 -0.14 0.00 0.52 0.00 0.00 34.95 32.39 2wo0 s ARG 642 CO 0.07 -0.36 1.60 0.98 0.02 0.00 0.00 175.30 177.60 2wo0 n TYR 643 N 0.47 2.24 -3.66 -0.53 9.36 0.20 -4.73 117.16 120.51 2wo0 n TYR 643 Ca 0.02 0.26 -0.13 0.00 3.32 0.00 0.00 57.90 61.36 2wo0 n TYR 643 Cb 0.42 -2.55 -0.13 0.00 -0.63 0.00 0.00 39.34 36.46 2wo0 n TYR 643 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wo0 s HIS 644 N 1.25 -0.44 0.42 2.98 5.65 -1.26 -5.04 115.29 118.85 2wo0 s HIS 644 Ca 0.81 0.98 0.09 0.00 0.25 0.00 0.00 55.06 57.19 2wo0 s HIS 644 Cb -0.70 -0.03 0.89 0.00 -1.18 0.00 0.00 32.58 31.56 2wo0 s HIS 644 CO 0.40 -0.37 2.01 -1.00 -0.65 0.00 0.00 174.74 175.13 2wo0 h PRO 645 N 8.28 0.33 -0.00 2.88 0.14 -2.02 -0.04 132.00 141.57 2wo0 h PRO 645 Ca -0.14 -0.04 0.00 0.00 0.14 0.00 0.00 66.00 65.96 2wo0 h PRO 645 Cb 1.11 -0.06 0.00 0.00 0.14 0.00 0.00 31.00 32.19 2wo0 h PRO 645 CO 0.14 0.31 -0.02 0.41 0.14 0.00 0.00 178.00 178.98 2wo0 n GLY 646 N -1.23 -0.82 3.33 1.56 0.00 -1.26 -4.72 105.19 102.05 2wo0 n GLY 646 Ca 0.00 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 2wo0 n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wo0 s GLU 647 N -2.15 2.97 0.00 1.61 2.02 -0.03 -4.86 118.70 118.26 2wo0 s GLU 647 Ca 0.40 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.79 2wo0 s GLU 647 Cb 0.21 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 30.21 2wo0 s GLU 647 CO 0.39 -1.24 0.00 0.54 0.02 0.00 0.00 175.26 174.98 2wo0 n ARG 648 N 5.22 2.57 -4.85 1.61 1.74 -1.26 -4.84 116.66 116.86 2wo0 n ARG 648 Ca -0.13 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.62 2wo0 n ARG 648 Cb 0.41 -0.75 -0.16 0.00 -1.02 0.00 0.00 32.46 30.94 2wo0 n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wo0 s PHE 649 N -1.22 2.69 0.23 -1.55 0.08 -1.26 -4.78 117.98 112.17 2wo0 s PHE 649 Ca 0.00 -1.02 -0.07 0.00 0.12 0.00 0.00 56.93 55.96 2wo0 s PHE 649 Cb 0.00 -1.80 0.28 0.00 -0.57 0.00 0.00 43.02 40.93 2wo0 s PHE 649 CO 0.00 -0.43 1.84 -1.00 -0.10 0.00 0.00 175.22 175.53 2wo0 h PRO 650 N 6.97 0.83 -0.00 0.24 0.13 -1.92 -1.36 132.00 136.89 2wo0 h PRO 650 Ca -0.26 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2wo0 h PRO 650 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2wo0 h PRO 650 CO 0.53 0.55 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.96 2wo0 n GLU 651 N -4.68 0.84 0.00 0.86 0.00 -1.26 -2.11 120.64 114.29 2wo0 n GLU 651 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.07 2wo0 n GLU 651 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.11 2wo0 n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wo0 n GLY 652 N 1.18 -0.59 0.18 -1.84 0.00 -0.51 -4.34 105.19 99.27 2wo0 n GLY 652 Ca 0.18 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 2wo0 n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wo0 h LYS 653 N 0.00 0.58 -3.14 1.61 3.64 -1.83 -3.35 116.57 114.07 2wo0 h LYS 653 Ca 0.00 -0.32 -0.62 0.00 -1.27 0.00 0.00 60.65 58.44 2wo0 h LYS 653 Cb 0.00 0.02 -0.42 0.00 -0.41 0.00 0.00 32.23 31.42 2wo0 h LYS 653 CO 0.00 0.91 -0.60 0.71 -2.27 0.00 0.00 179.45 178.21 2wo0 s TYR 654 N -4.29 3.39 -1.62 1.91 2.02 -1.26 -4.96 117.35 112.54 2wo0 s TYR 654 Ca -0.13 -3.26 0.27 0.00 -0.37 0.00 0.00 57.07 53.58 2wo0 s TYR 654 Cb 0.07 -2.68 0.97 0.00 -0.40 0.00 0.00 41.96 39.93 2wo0 s TYR 654 CO 0.81 -0.61 1.71 -0.35 -1.57 0.00 0.00 175.55 175.53 2wo0 n PRO 655 N 2.31 0.68 -1.97 -1.71 -0.04 -1.26 -4.55 135.00 128.46 2wo0 n PRO 655 Ca 0.16 -0.32 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 2wo0 n PRO 655 Cb 0.34 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 2wo0 n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wo0 s ASN 656 N -2.54 6.02 -1.78 3.54 2.47 -1.26 -2.81 114.94 118.57 2wo0 s ASN 656 Ca 0.25 1.54 0.00 0.00 0.42 0.00 0.00 52.86 55.07 2wo0 s ASN 656 Cb 0.19 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 2wo0 s ASN 656 CO 0.51 -1.57 0.00 0.54 -3.72 0.00 0.00 177.10 172.87 2wo0 n ARG 657 N 8.19 -1.61 -1.21 0.43 1.74 -1.26 -4.24 116.66 118.70 2wo0 n ARG 657 Ca 0.22 1.01 -0.32 0.00 -0.77 0.00 0.00 57.85 57.99 2wo0 n ARG 657 Cb 0.46 -5.62 0.11 0.00 -1.02 0.00 0.00 32.46 26.39 2wo0 n ARG 657 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wo0 s SER 658 N -2.15 4.01 -0.00 0.55 1.04 -1.12 -4.84 113.70 111.18 2wo0 s SER 658 Ca 0.00 2.13 0.01 0.00 0.48 0.00 0.00 55.95 58.57 2wo0 s SER 658 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2wo0 s SER 658 CO 0.00 -2.38 0.04 0.35 0.98 0.00 0.00 173.24 172.23 2wo0 n THR 659 N -3.33 0.00 -4.39 2.02 -2.24 -1.26 -4.62 114.28 100.46 2wo0 n THR 659 Ca 0.11 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.36 2wo0 n THR 659 Cb 0.52 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 2wo0 n THR 659 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wo0 n HIS 660 N -1.19 0.13 -3.06 4.78 1.44 -1.26 -4.89 115.22 111.17 2wo0 n HIS 660 Ca 0.00 -2.02 -0.41 0.00 -2.01 0.00 0.00 57.72 53.28 2wo0 n HIS 660 Cb 0.02 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.06 2wo0 n HIS 660 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2wo0 s ASP 661 N -2.94 6.58 -0.19 4.39 -1.08 -1.26 -4.76 116.67 117.41 2wo0 s ASP 661 Ca 0.15 0.60 0.16 0.00 -0.52 0.00 0.00 52.55 52.94 2wo0 s ASP 661 Cb 0.01 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.55 2wo0 s ASP 661 CO 0.11 -0.48 1.33 0.35 0.52 0.00 0.00 175.17 177.00 2wo0 n THR 662 N 5.36 2.21 0.00 1.71 -2.24 -1.26 -3.85 114.28 116.21 2wo0 n THR 662 Ca 0.01 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.52 2wo0 n THR 662 Cb 0.49 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2wo0 n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wo0 n GLY 663 N -0.97 1.91 0.42 3.38 0.00 -1.26 -4.22 105.19 104.45 2wo0 n GLY 663 Ca 0.22 -0.20 0.23 0.00 0.00 0.00 0.00 46.02 46.26 2wo0 n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wo0 h LEU 664 N 0.00 0.00 -0.17 0.99 3.38 -1.58 0.29 115.31 118.22 2wo0 h LEU 664 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wo0 h LEU 664 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wo0 h LEU 664 CO 0.00 0.00 0.01 1.23 0.09 0.00 0.00 178.44 179.77 2wo0 h GLY 665 N 0.00 0.33 1.02 0.83 0.00 -1.85 -2.66 103.07 100.73 2wo0 h GLY 665 Ca 0.29 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 2wo0 h GLY 665 CO -0.00 0.22 -0.12 -1.61 0.00 0.00 0.00 176.54 175.03 2wo0 h GLN 666 N 0.06 0.85 0.00 4.80 4.15 -0.70 -1.20 115.11 123.07 2wo0 h GLN 666 Ca 0.05 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 2wo0 h GLN 666 Cb 0.37 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 2wo0 h GLN 666 CO 0.01 0.97 -0.01 1.88 -1.93 0.00 0.00 178.83 179.74 2wo0 h TYR 667 N 0.68 0.00 -0.00 3.99 0.05 -0.57 -2.50 116.97 118.62 2wo0 h TYR 667 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2wo0 h TYR 667 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 2wo0 h TYR 667 CO 0.05 0.01 0.00 -1.13 -1.05 0.00 0.00 178.16 176.04 2wo0 n SER 668 N -3.19 1.59 -0.25 3.88 3.41 -1.01 -4.76 113.62 113.29 2wo0 n SER 668 Ca -0.02 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2wo0 n SER 668 Cb 0.14 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.16 2wo0 n SER 668 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wo0 h LYS 669 N 0.05 -0.03 0.00 4.33 1.63 -0.74 -1.35 116.57 120.46 2wo0 h LYS 669 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wo0 h LYS 669 Cb 0.29 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2wo0 h LYS 669 CO 0.00 -0.02 0.00 -0.25 -3.45 0.00 0.00 179.45 175.73 2wo0 n ASP 670 N -5.48 0.00 -3.61 4.20 8.00 -1.26 -4.96 116.55 113.44 2wo0 n ASP 670 Ca 0.09 -0.35 -0.26 0.00 0.71 0.00 0.00 54.79 54.98 2wo0 n ASP 670 Cb 0.38 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 2wo0 n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2wo0 n ASN 671 N -1.22 -5.64 -4.86 -2.24 5.15 -0.51 -4.96 115.26 100.99 2wo0 n ASN 671 Ca 0.17 -0.89 -0.31 0.00 -0.60 0.00 0.00 54.58 52.95 2wo0 n ASN 671 Cb 0.21 -3.46 0.04 0.00 -0.53 0.00 0.00 39.78 36.04 2wo0 n ASN 671 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wo0 s GLU 672 N -5.44 3.06 0.22 1.20 2.02 -1.26 -4.61 118.70 113.88 2wo0 s GLU 672 Ca 0.36 0.66 -0.30 0.00 0.02 0.00 0.00 54.97 55.71 2wo0 s GLU 672 Cb -0.13 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 2wo0 s GLU 672 CO 0.85 -0.94 1.31 0.45 0.02 0.00 0.00 175.26 176.94 2wo0 s SER 673 N -4.15 6.89 -0.14 -0.19 0.15 -1.26 -1.22 113.70 113.77 2wo0 s SER 673 Ca 0.57 2.44 0.16 0.00 0.70 0.00 0.00 55.95 59.82 2wo0 s SER 673 Cb -0.12 -2.62 0.41 0.00 -1.71 0.00 0.00 66.02 61.98 2wo0 s SER 673 CO 0.53 -0.52 1.30 0.18 1.20 0.00 0.00 173.24 175.94 2wo0 n LEU 674 N 2.36 3.24 -4.65 3.45 4.77 0.20 -4.84 117.00 121.53 2wo0 n LEU 674 Ca 0.05 -2.88 -0.43 0.00 -0.03 0.00 0.00 56.01 52.72 2wo0 n LEU 674 Cb 0.43 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2wo0 n LEU 674 CO 0.58 0.68 0.91 -0.62 -1.33 0.00 0.00 177.39 177.61 2wo0 s ASP 675 N -2.07 7.00 -1.33 -1.43 2.15 -1.22 -4.32 116.67 115.46 2wo0 s ASP 675 Ca 0.35 1.20 -0.10 0.00 0.43 0.00 0.00 52.55 54.44 2wo0 s ASP 675 Cb 0.28 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2wo0 s ASP 675 CO 0.07 -0.74 0.50 -3.20 -0.17 0.00 0.00 175.17 171.63 2wo0 n ASN 676 N 6.52 -1.94 -3.80 -0.34 5.15 -0.85 -4.97 115.26 115.03 2wo0 n ASN 676 Ca 0.11 -1.08 -0.09 0.00 -0.60 0.00 0.00 54.58 52.92 2wo0 n ASN 676 Cb 0.47 -2.80 -0.07 0.00 -0.53 0.00 0.00 39.78 36.85 2wo0 n ASN 676 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wo0 s THR 677 N -3.83 0.12 -0.21 -0.44 -1.32 0.02 -4.54 115.64 105.45 2wo0 s THR 677 Ca 0.19 -1.01 -0.30 0.00 -1.21 0.00 0.00 61.69 59.36 2wo0 s THR 677 Cb -0.08 -1.27 -0.07 0.00 -1.51 0.00 0.00 72.50 69.57 2wo0 s THR 677 CO 0.90 -0.56 2.17 -0.67 -2.21 0.00 0.00 174.62 174.26 2wo0 n ASP 678 N -0.05 3.16 -4.81 8.08 -0.08 -0.93 -2.36 116.55 119.56 2wo0 n ASP 678 Ca -0.16 0.36 -0.23 0.00 -1.51 0.00 0.00 54.79 53.25 2wo0 n ASP 678 Cb 0.62 -1.49 -0.05 0.00 2.34 0.00 0.00 41.12 42.55 2wo0 n ASP 678 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wo0 s ALA 679 N 7.47 3.58 -0.08 -1.67 0.00 -1.26 -0.63 121.76 129.17 2wo0 s ALA 679 Ca 1.01 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2wo0 s ALA 679 Cb -0.47 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2wo0 s ALA 679 CO 0.40 0.33 -0.17 0.08 0.00 0.00 0.00 175.76 176.40 2wo0 s VAL 680 N -2.02 1.49 -0.09 0.00 1.01 0.78 -4.02 120.40 117.56 2wo0 s VAL 680 Ca 0.32 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2wo0 s VAL 680 Cb -0.08 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2wo0 s VAL 680 CO 0.24 0.43 0.08 -0.69 0.00 0.00 0.00 175.10 175.17 2wo0 s VAL 681 N 0.56 4.91 -0.15 2.92 1.01 0.23 -1.38 120.40 128.51 2wo0 s VAL 681 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2wo0 s VAL 681 Cb -0.17 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2wo0 s VAL 681 CO 0.05 0.57 -0.11 0.26 0.00 0.00 0.00 175.10 175.88 2wo0 s TRP 682 N -1.00 1.93 -0.22 5.22 0.52 0.62 0.21 118.94 126.22 2wo0 s TRP 682 Ca 0.16 -1.10 -0.06 0.00 0.02 0.00 0.00 56.10 55.12 2wo0 s TRP 682 Cb -0.12 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 2wo0 s TRP 682 CO 0.05 -0.62 0.03 -1.64 0.02 0.00 0.00 176.95 174.78 2wo0 s MET 683 N 1.56 3.65 -0.15 4.98 -1.94 -0.00 -1.65 119.30 125.75 2wo0 s MET 683 Ca 0.04 -0.50 -0.06 0.00 -1.71 0.00 0.00 55.69 53.47 2wo0 s MET 683 Cb -0.13 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.50 2wo0 s MET 683 CO -0.09 -0.04 0.04 0.99 -0.01 0.00 0.00 175.02 175.91 2wo0 s THR 684 N 1.17 4.65 -0.09 2.05 2.01 0.86 -0.44 115.64 125.85 2wo0 s THR 684 Ca 0.03 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 2wo0 s THR 684 Cb -0.14 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.35 2wo0 s THR 684 CO 0.02 0.52 0.23 0.28 -0.69 0.00 0.00 174.62 174.98 2wo0 s THR 685 N -0.11 -0.02 0.17 -0.82 -1.32 -0.06 -4.55 115.64 108.94 2wo0 s THR 685 Ca 0.06 0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 60.53 2wo0 s THR 685 Cb -0.12 -0.35 -0.01 0.00 -1.51 0.00 0.00 72.50 70.51 2wo0 s THR 685 CO 0.01 0.02 0.25 -0.83 -2.21 0.00 0.00 174.62 171.87 2wo0 s GLY 686 N 0.58 0.62 0.41 6.08 0.00 -1.26 -0.05 107.32 113.70 2wo0 s GLY 686 Ca -0.04 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.73 2wo0 s GLY 686 CO -0.03 -0.94 0.13 -0.51 0.00 0.00 0.00 173.10 171.75 2wo0 s THR 687 N -4.00 2.21 -0.17 0.90 -4.23 -0.52 -0.15 115.64 109.68 2wo0 s THR 687 Ca 0.20 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2wo0 s THR 687 Cb 0.04 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.91 2wo0 s THR 687 CO 0.02 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.11 2wo0 s THR 688 N -2.63 1.44 -0.51 3.99 2.01 -0.60 -2.58 115.64 116.76 2wo0 s THR 688 Ca 0.39 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 2wo0 s THR 688 Cb 0.06 -1.47 0.13 0.00 0.01 0.00 0.00 72.50 71.22 2wo0 s THR 688 CO 0.21 0.28 0.39 -2.28 -0.69 0.00 0.00 174.62 172.53 2wo0 s HIS 689 N 1.51 3.43 -0.18 4.92 5.04 0.36 -4.05 115.29 126.31 2wo0 s HIS 689 Ca 0.02 -1.87 -0.15 0.00 -1.54 0.00 0.00 55.06 51.52 2wo0 s HIS 689 Cb -0.14 -3.54 -0.04 0.00 0.04 0.00 0.00 32.58 28.90 2wo0 s HIS 689 CO -0.09 -0.99 0.33 0.08 -2.34 0.00 0.00 174.74 171.73 2wo0 s VAL 690 N 1.24 5.26 0.68 0.89 1.01 -1.26 -3.06 120.40 125.16 2wo0 s VAL 690 Ca 0.07 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 2wo0 s VAL 690 Cb -0.25 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.52 2wo0 s VAL 690 CO -0.01 0.33 0.96 0.00 0.00 0.00 0.00 175.10 176.38 2wo0 s ALA 691 N 0.87 3.37 0.17 5.51 0.00 -1.26 -5.03 121.76 125.38 2wo0 s ALA 691 Ca 0.17 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 2wo0 s ALA 691 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2wo0 s ALA 691 CO 0.06 -1.21 0.44 -0.98 0.00 0.00 0.00 175.76 174.06 2wo0 s ARG 692 N -5.13 1.25 0.42 0.00 1.70 -1.26 -4.69 118.95 111.23 2wo0 s ARG 692 Ca 0.60 -0.89 0.13 0.00 -0.47 0.00 0.00 55.73 55.10 2wo0 s ARG 692 Cb -0.10 0.48 0.99 0.00 -0.57 0.00 0.00 34.95 35.75 2wo0 s ARG 692 CO 0.43 -0.50 1.97 0.00 -1.08 0.00 0.00 175.30 176.12 2wo0 h ALA 693 N 2.32 1.98 -0.03 7.88 0.00 -1.88 0.17 119.26 129.71 2wo0 h ALA 693 Ca -0.31 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2wo0 h ALA 693 Cb 1.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wo0 h ALA 693 CO 0.42 -0.12 0.27 0.93 0.00 0.00 0.00 179.25 180.75 2wo0 h GLU 694 N 0.46 0.00 -0.68 0.00 3.07 -1.96 -1.27 114.58 114.20 2wo0 h GLU 694 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2wo0 h GLU 694 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2wo0 h GLU 694 CO -0.09 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.91 2wo0 n GLU 695 N -3.00 3.64 -4.22 2.33 1.02 0.60 -4.57 120.64 116.44 2wo0 n GLU 695 Ca -0.02 -2.88 -0.18 0.00 -0.02 0.00 0.00 57.16 54.06 2wo0 n GLU 695 Cb 0.33 -1.87 -0.15 0.00 -0.02 0.00 0.00 31.44 29.73 2wo0 n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2wo0 s TRP 696 N -1.74 0.67 -1.37 -0.32 -0.11 -0.48 -3.08 118.94 112.52 2wo0 s TRP 696 Ca 0.52 -0.15 0.29 0.00 1.22 0.00 0.00 56.10 57.98 2wo0 s TRP 696 Cb 0.33 -0.51 1.45 0.00 -1.50 0.00 0.00 33.47 33.24 2wo0 s TRP 696 CO 0.26 -0.08 2.01 -0.35 -4.62 0.00 0.00 176.95 174.17 2wo0 n PRO 697 N 3.37 0.36 -3.83 5.86 -0.04 -1.26 -4.98 135.00 134.48 2wo0 n PRO 697 Ca -0.18 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 2wo0 n PRO 697 Cb 0.55 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 2wo0 n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wo0 s ILE 698 N -2.63 -0.02 -0.21 0.52 2.07 -1.24 -4.66 121.20 115.02 2wo0 s ILE 698 Ca 0.26 0.09 -0.23 0.00 -1.41 0.00 0.00 60.65 59.36 2wo0 s ILE 698 Cb 0.20 -0.05 -0.01 0.00 0.13 0.00 0.00 42.46 42.72 2wo0 s ILE 698 CO 0.46 0.04 0.75 -0.04 -1.91 0.00 0.00 174.94 174.23 2wo0 s MET 699 N 0.43 4.21 0.34 3.50 -1.94 0.12 -4.61 119.30 121.36 2wo0 s MET 699 Ca -0.04 0.82 -0.28 0.00 -1.71 0.00 0.00 55.69 54.48 2wo0 s MET 699 Cb -0.05 -3.61 -0.12 0.00 2.01 0.00 0.00 34.83 33.06 2wo0 s MET 699 CO -0.01 -0.38 1.42 -2.30 -0.01 0.00 0.00 175.02 173.73 2wo0 n PRO 700 N 5.52 2.43 -1.68 2.03 -0.02 -1.26 -3.93 135.00 138.09 2wo0 n PRO 700 Ca 0.03 0.85 -0.46 0.00 -2.02 0.00 0.00 63.50 61.90 2wo0 n PRO 700 Cb 0.49 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2wo0 n PRO 700 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2wo0 n THR 701 N 0.72 0.46 -4.32 3.45 -1.04 -1.26 -4.83 114.28 107.46 2wo0 n THR 701 Ca 0.04 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.64 2wo0 n THR 701 Cb 0.37 -1.94 -0.09 0.00 -1.82 0.00 0.00 70.33 66.84 2wo0 n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wo0 s GLU 702 N 3.27 2.82 -0.02 -2.82 0.41 -0.56 -4.89 118.70 116.91 2wo0 s GLU 702 Ca 0.87 -0.57 0.06 0.00 -0.41 0.00 0.00 54.97 54.93 2wo0 s GLU 702 Cb -0.60 -2.69 -0.01 0.00 -1.78 0.00 0.00 34.13 29.05 2wo0 s GLU 702 CO 0.44 0.64 -0.20 -1.58 -0.49 0.00 0.00 175.26 174.07 2wo0 s TRP 703 N -1.03 1.83 0.20 1.61 0.52 -1.26 0.59 118.94 121.40 2wo0 s TRP 703 Ca 0.18 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 56.04 2wo0 s TRP 703 Cb -0.11 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 2wo0 s TRP 703 CO 0.08 -0.04 -0.16 0.14 0.02 0.00 0.00 176.95 176.99 2wo0 s VAL 704 N -0.44 2.80 -0.02 4.03 -7.23 0.25 -0.93 120.40 118.86 2wo0 s VAL 704 Ca 0.07 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2wo0 s VAL 704 Cb -0.08 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 2wo0 s VAL 704 CO -0.01 -0.15 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.45 2wo0 s HIS 705 N -1.80 1.66 0.33 2.82 0.09 -0.31 -1.81 115.29 116.27 2wo0 s HIS 705 Ca 0.24 -0.37 0.08 0.00 -0.00 0.00 0.00 55.06 55.01 2wo0 s HIS 705 Cb -0.08 -1.09 -0.06 0.00 -0.00 0.00 0.00 32.58 31.35 2wo0 s HIS 705 CO 0.13 -0.07 -0.07 0.95 -0.00 0.00 0.00 174.74 175.68 2wo0 s THR 706 N -0.28 1.96 -0.05 1.30 -4.23 0.18 -1.13 115.64 113.38 2wo0 s THR 706 Ca 0.04 -2.15 -0.10 0.00 -1.18 0.00 0.00 61.69 58.30 2wo0 s THR 706 Cb -0.08 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.16 2wo0 s THR 706 CO 0.00 -0.21 0.23 -0.22 -0.54 0.00 0.00 174.62 173.88 2wo0 s LEU 707 N -3.55 1.16 -0.13 4.79 2.96 -0.29 -1.40 118.68 122.22 2wo0 s LEU 707 Ca 0.32 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2wo0 s LEU 707 Cb 0.04 0.89 0.02 0.00 0.50 0.00 0.00 46.19 47.64 2wo0 s LEU 707 CO 0.15 -0.25 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.06 2wo0 s LEU 708 N -0.64 1.47 -0.07 -0.68 1.43 0.14 -0.96 118.68 119.38 2wo0 s LEU 708 Ca -0.07 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2wo0 s LEU 708 Cb -0.04 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2wo0 s LEU 708 CO 0.02 -0.08 -0.18 -0.54 0.23 0.00 0.00 176.35 175.80 2wo0 s LYS 709 N 1.53 2.17 0.02 1.70 1.02 0.70 -0.80 119.74 126.08 2wo0 s LYS 709 Ca 0.04 -0.63 -0.34 0.00 0.02 0.00 0.00 55.97 55.06 2wo0 s LYS 709 Cb -0.13 -1.75 -0.13 0.00 -0.52 0.00 0.00 37.83 35.30 2wo0 s LYS 709 CO -0.09 0.14 1.73 -0.35 -0.92 0.00 0.00 175.35 175.87 2wo0 n PRO 710 N 3.52 2.13 -3.93 -1.68 -0.04 -1.26 0.12 135.00 133.84 2wo0 n PRO 710 Ca -0.20 0.77 -0.31 0.00 -0.04 0.00 0.00 63.50 63.73 2wo0 n PRO 710 Cb 0.52 -2.58 -0.15 0.00 -0.04 0.00 0.00 33.50 31.26 2wo0 n PRO 710 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2wo0 s TRP 711 N 2.59 3.15 -1.62 0.54 -0.11 0.34 -4.59 118.94 119.25 2wo0 s TRP 711 Ca 0.86 -2.65 0.00 0.00 1.22 0.00 0.00 56.10 55.53 2wo0 s TRP 711 Cb -0.70 -2.57 0.00 0.00 -1.50 0.00 0.00 33.47 28.70 2wo0 s TRP 711 CO 0.46 -0.92 0.00 0.09 -4.62 0.00 0.00 176.95 171.96 2wo0 n ASN 712 N 4.37 -4.93 0.20 5.86 3.02 -1.26 -1.63 115.26 120.88 2wo0 n ASN 712 Ca 0.02 0.20 0.13 0.00 -0.03 0.00 0.00 54.58 54.90 2wo0 n ASN 712 Cb 0.42 -4.23 0.36 0.00 -0.61 0.00 0.00 39.78 35.71 2wo0 n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2wo0 h PHE 713 N 0.00 0.00 -2.15 3.10 3.57 -1.81 -3.37 116.94 116.28 2wo0 h PHE 713 Ca -0.39 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.55 2wo0 h PHE 713 Cb 1.25 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.85 2wo0 h PHE 713 CO 0.57 0.00 -0.58 -0.06 -2.23 0.00 0.00 178.31 176.01 2wo0 s PHE 714 N -3.29 2.07 -1.25 0.41 0.08 -1.26 -4.92 117.98 109.82 2wo0 s PHE 714 Ca 0.06 -0.93 0.21 0.00 0.12 0.00 0.00 56.93 56.39 2wo0 s PHE 714 Cb 0.08 -1.44 -0.16 0.00 -0.57 0.00 0.00 43.02 40.92 2wo0 s PHE 714 CO 0.60 0.11 0.92 -0.25 -0.10 0.00 0.00 175.22 176.50 2wo0 n ASP 715 N -0.94 1.25 -3.45 1.36 8.00 -1.26 -4.81 116.55 116.70 2wo0 n ASP 715 Ca -0.06 -1.13 -0.03 0.00 0.71 0.00 0.00 54.79 54.28 2wo0 n ASP 715 Cb 0.66 0.85 0.01 0.00 -0.02 0.00 0.00 41.12 42.62 2wo0 n ASP 715 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2wo0 s GLU 716 N -2.77 1.32 -0.66 -1.24 -1.05 -1.26 -4.96 118.70 108.08 2wo0 s GLU 716 Ca 0.11 -0.82 -0.34 0.00 -0.15 0.00 0.00 54.97 53.77 2wo0 s GLU 716 Cb 0.16 0.39 -0.16 0.00 -0.44 0.00 0.00 34.13 34.08 2wo0 s GLU 716 CO 0.75 -0.61 2.42 2.41 0.95 0.00 0.00 175.26 181.18 2wo0 n THR 717 N -0.62 0.03 -0.15 1.83 -1.04 -1.26 -4.80 114.28 108.27 2wo0 n THR 717 Ca -0.04 -0.19 0.23 0.00 -2.04 0.00 0.00 64.05 62.01 2wo0 n THR 717 Cb 0.60 -1.14 0.65 0.00 -1.82 0.00 0.00 70.33 68.61 2wo0 n THR 717 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2wo0 h PRO 718 N 12.71 0.12 -0.63 -2.82 0.11 -1.97 -1.92 132.00 137.61 2wo0 h PRO 718 Ca -0.14 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 2wo0 h PRO 718 Cb 1.33 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 2wo0 h PRO 718 CO 1.20 0.08 0.12 0.25 -0.21 0.00 0.00 178.00 179.45 2wo0 n THR 719 N -4.37 2.83 0.21 -1.15 -2.24 -1.26 -4.48 114.28 103.82 2wo0 n THR 719 Ca 0.16 -1.56 0.07 0.00 -2.27 0.00 0.00 64.05 60.46 2wo0 n THR 719 Cb 0.77 -0.31 0.46 0.00 -2.10 0.00 0.00 70.33 69.15 2wo0 n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wo0 h LEU 720 N 3.28 0.00 0.00 3.22 3.38 -1.73 -3.49 115.31 119.97 2wo0 h LEU 720 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wo0 h LEU 720 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 2wo0 h LEU 720 CO 0.59 0.29 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2wo0 n GLY 721 N -0.23 2.37 3.68 0.83 0.00 -1.26 -5.01 105.19 105.57 2wo0 n GLY 721 Ca -0.01 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.58 2wo0 n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wo0 n ALA 722 N 0.73 1.61 -2.71 4.61 0.00 -1.26 -4.95 120.51 118.54 2wo0 n ALA 722 Ca 0.00 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 2wo0 n ALA 722 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 2wo0 n ALA 722 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wo0 s LEU 723 N 0.88 4.34 -0.70 0.00 2.96 -1.26 -4.96 118.68 119.93 2wo0 s LEU 723 Ca 0.77 1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 2wo0 s LEU 723 Cb -0.65 -3.42 0.40 0.00 0.50 0.00 0.00 46.19 43.03 2wo0 s LEU 723 CO 0.38 -0.24 1.89 2.29 -1.32 0.00 0.00 176.35 179.35 2wo0 n LYS 724 N 4.00 2.85 -2.71 1.98 2.85 -1.26 -4.62 118.16 121.25 2wo0 n LYS 724 Ca 0.04 -3.57 -0.08 0.00 -1.05 0.00 0.00 58.31 53.65 2wo0 n LYS 724 Cb 0.51 -2.28 0.09 0.00 -0.65 0.00 0.00 35.03 32.70 2wo0 n LYS 724 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wo0 n LYS 725 N -0.69 1.16 0.00 -1.58 4.76 -1.26 -5.36 118.16 115.19 2wo0 n LYS 725 Ca 0.55 -2.20 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 2wo0 n LYS 725 Cb 0.48 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.22 2wo0 n LYS 725 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56