#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlk h PRO 4 N 0.00 0.00 -6.55 1.43 0.13 -1.93 -3.43 132.00 121.64 3dlk h PRO 4 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3dlk h PRO 4 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 3dlk h PRO 4 CO 0.00 0.11 0.75 0.42 -0.23 0.00 0.00 178.00 179.05 3dlk s ILE 5 N -3.93 3.19 0.36 -3.56 1.01 -1.26 -4.98 121.20 112.04 3dlk s ILE 5 Ca -0.01 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.22 3dlk s ILE 5 Cb 0.11 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 3dlk s ILE 5 CO 0.57 0.07 1.16 -0.70 0.00 0.00 0.00 174.94 176.04 3dlk s GLU 6 N 1.13 4.25 0.37 2.79 2.12 -1.26 -4.80 118.70 123.29 3dlk s GLU 6 Ca 0.66 1.86 -0.10 0.00 0.36 0.00 0.00 54.97 57.75 3dlk s GLU 6 Cb -0.38 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 3dlk s GLU 6 CO 0.30 -0.16 0.72 0.95 -0.54 0.00 0.00 175.26 176.53 3dlk s THR 7 N -1.33 4.82 -0.19 -1.70 -4.23 -1.26 -4.95 115.64 106.80 3dlk s THR 7 Ca 0.53 0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 61.46 3dlk s THR 7 Cb -0.32 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.76 3dlk s THR 7 CO 0.40 -0.43 0.23 -0.69 -0.54 0.00 0.00 174.62 173.60 3dlk s VAL 8 N -2.26 5.33 0.10 2.29 1.01 -1.26 -4.98 120.40 120.64 3dlk s VAL 8 Ca 0.50 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 3dlk s VAL 8 Cb -0.10 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3dlk s VAL 8 CO 0.29 0.38 1.36 -2.16 0.00 0.00 0.00 175.10 174.97 3dlk s PRO 9 N 0.65 4.34 0.09 2.72 0.04 -1.26 -4.25 135.00 137.32 3dlk s PRO 9 Ca 0.13 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.28 3dlk s PRO 9 Cb -0.13 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3dlk s PRO 9 CO 0.03 -0.42 -0.24 0.08 0.04 0.00 0.00 177.00 176.49 3dlk s VAL 10 N 1.17 1.95 0.11 -0.36 1.01 -1.26 -5.10 120.40 117.93 3dlk s VAL 10 Ca 0.64 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3dlk s VAL 10 Cb -0.35 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3dlk s VAL 10 CO 0.30 0.13 -0.09 -0.54 0.00 0.00 0.00 175.10 174.90 3dlk s LYS 11 N -1.66 0.90 0.65 2.72 1.02 -1.26 -4.79 119.74 117.33 3dlk s LYS 11 Ca 0.10 -1.28 -0.08 0.00 0.02 0.00 0.00 55.97 54.73 3dlk s LYS 11 Cb -0.10 -0.47 0.02 0.00 -0.52 0.00 0.00 37.83 36.76 3dlk s LYS 11 CO 0.04 0.05 0.99 -0.51 -0.92 0.00 0.00 175.35 175.00 3dlk s LEU 12 N -2.79 3.06 0.34 3.17 1.43 -1.26 -1.73 118.68 120.90 3dlk s LEU 12 Ca 0.10 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 53.76 3dlk s LEU 12 Cb 0.01 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3dlk s LEU 12 CO -0.01 -1.23 1.35 -0.54 0.23 0.00 0.00 176.35 176.14 3dlk s LYS 13 N -5.16 4.30 0.30 1.70 1.02 -0.11 -4.52 119.74 117.26 3dlk s LYS 13 Ca 0.56 2.29 -0.29 0.00 0.02 0.00 0.00 55.97 58.56 3dlk s LYS 13 Cb -0.11 -3.05 -0.13 0.00 -0.52 0.00 0.00 37.83 34.02 3dlk s LYS 13 CO 0.48 -0.26 1.15 -0.35 -0.92 0.00 0.00 175.35 175.45 3dlk n PRO 14 N 0.73 1.68 0.00 -1.68 -0.04 -1.26 -1.75 135.00 132.68 3dlk n PRO 14 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3dlk n PRO 14 Cb 0.41 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3dlk n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dlk n GLY 15 N 1.20 2.37 3.88 0.55 0.00 -1.26 -5.03 105.19 106.90 3dlk n GLY 15 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3dlk n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dlk s MET 16 N -0.22 3.20 0.40 1.61 -1.94 -0.72 -5.13 119.30 116.50 3dlk s MET 16 Ca 0.00 -0.69 0.08 0.00 -1.71 0.00 0.00 55.69 53.37 3dlk s MET 16 Cb 0.00 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 3dlk s MET 16 CO 0.00 0.52 0.32 0.34 -0.01 0.00 0.00 175.02 176.19 3dlk s ASP 17 N -3.06 4.99 1.17 3.03 3.68 -1.26 -4.81 116.67 120.41 3dlk s ASP 17 Ca 0.33 -0.74 -0.14 0.00 2.13 0.00 0.00 52.55 54.13 3dlk s ASP 17 Cb -0.11 -0.64 0.28 0.00 -1.45 0.00 0.00 42.92 40.99 3dlk s ASP 17 CO 0.26 -0.56 1.03 -0.83 0.13 0.00 0.00 175.17 175.20 3dlk s GLY 18 N -4.06 1.53 0.35 2.66 0.00 -1.26 -4.96 107.32 101.58 3dlk s GLY 18 Ca 0.45 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.59 3dlk s GLY 18 CO 0.27 0.42 1.02 2.56 0.00 0.00 0.00 173.10 177.37 3dlk s PRO 19 N -4.68 4.42 -0.35 2.90 0.04 -1.26 -4.99 135.00 131.07 3dlk s PRO 19 Ca 0.68 1.51 0.15 0.00 0.04 0.00 0.00 61.00 63.38 3dlk s PRO 19 Cb -0.22 -2.78 0.40 0.00 0.04 0.00 0.00 34.50 31.94 3dlk s PRO 19 CO 0.62 0.08 0.87 1.63 0.04 0.00 0.00 177.00 180.24 3dlk n LYS 20 N 0.44 1.06 -3.14 4.56 5.02 -1.23 -1.01 118.16 123.86 3dlk n LYS 20 Ca 0.03 -3.22 -0.39 0.00 -2.02 0.00 0.00 58.31 52.70 3dlk n LYS 20 Cb 0.49 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 3dlk n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dlk s VAL 21 N -2.58 4.60 0.30 -0.18 1.01 -0.40 -4.86 120.40 118.29 3dlk s VAL 21 Ca 0.33 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 3dlk s VAL 21 Cb 0.40 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 3dlk s VAL 21 CO -0.02 0.52 1.10 -0.54 0.00 0.00 0.00 175.10 176.16 3dlk s LYS 22 N -1.00 4.54 -0.09 2.72 1.02 -1.26 -4.28 119.74 121.38 3dlk s LYS 22 Ca 0.32 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 57.79 3dlk s LYS 22 Cb -0.21 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3dlk s LYS 22 CO 0.22 0.13 1.03 -1.14 -0.92 0.00 0.00 175.35 174.67 3dlk s GLN 23 N -1.64 4.42 0.27 1.68 2.00 -1.26 -4.70 119.66 120.43 3dlk s GLN 23 Ca 0.47 1.44 -0.30 0.00 -2.00 0.00 0.00 55.36 54.97 3dlk s GLN 23 Cb -0.31 -3.54 -0.09 0.00 0.80 0.00 0.00 33.01 29.87 3dlk s GLN 23 CO 0.39 -0.32 1.08 -1.58 -0.50 0.00 0.00 175.29 174.36 3dlk s TRP 24 N 1.99 3.63 0.41 1.67 0.52 -1.26 -4.99 118.94 120.91 3dlk s TRP 24 Ca 0.50 1.72 -0.26 0.00 0.02 0.00 0.00 56.10 58.07 3dlk s TRP 24 Cb -0.19 -3.25 -0.09 0.00 -1.15 0.00 0.00 33.47 28.79 3dlk s TRP 24 CO 0.19 -0.43 1.39 -1.25 0.02 0.00 0.00 176.95 176.87 3dlk s PRO 25 N -1.36 3.90 0.46 4.98 0.04 -1.26 -4.93 135.00 136.82 3dlk s PRO 25 Ca 0.44 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.87 3dlk s PRO 25 Cb -0.31 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3dlk s PRO 25 CO 0.40 -0.62 0.03 -0.51 0.04 0.00 0.00 177.00 176.34 3dlk s LEU 26 N -2.45 2.36 0.53 -3.56 1.43 -1.26 -5.16 118.68 110.58 3dlk s LEU 26 Ca 0.57 -1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.06 3dlk s LEU 26 Cb -0.42 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.16 3dlk s LEU 26 CO 0.55 -0.76 0.81 0.42 0.23 0.00 0.00 176.35 177.60 3dlk s THR 27 N -2.92 3.76 0.38 5.49 -4.23 -1.26 -4.92 115.64 111.94 3dlk s THR 27 Ca 0.17 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.54 3dlk s THR 27 Cb 0.04 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.72 3dlk s THR 27 CO 0.09 -0.40 1.99 -0.33 -0.54 0.00 0.00 174.62 175.43 3dlk h GLU 28 N 0.06 0.64 0.32 3.99 5.08 -2.00 -1.04 114.58 121.64 3dlk h GLU 28 Ca -0.46 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 3dlk h GLU 28 Cb 1.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3dlk h GLU 28 CO 0.59 0.42 -0.15 1.05 -1.00 0.00 0.00 179.01 179.92 3dlk h GLU 29 N 0.66 -0.42 -0.78 2.33 4.11 -1.98 0.17 114.58 118.67 3dlk h GLU 29 Ca 0.27 0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.81 3dlk h GLU 29 Cb 0.22 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 3dlk h GLU 29 CO -0.08 -0.08 0.45 0.87 0.07 0.00 0.00 179.01 180.23 3dlk h LYS 30 N -0.88 0.76 -0.57 1.06 1.57 -1.93 -0.65 116.57 115.93 3dlk h LYS 30 Ca -0.04 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3dlk h LYS 30 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3dlk h LYS 30 CO 0.07 0.50 -0.00 0.82 -0.57 0.00 0.00 179.45 180.27 3dlk h ILE 31 N 0.78 1.27 -0.47 1.86 2.04 -1.20 -0.56 117.51 121.23 3dlk h ILE 31 Ca 0.37 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3dlk h ILE 31 Cb 0.29 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3dlk h ILE 31 CO -0.22 0.41 0.20 0.50 0.00 0.00 0.00 178.15 179.04 3dlk h LYS 32 N 0.90 0.66 0.08 2.37 1.63 0.33 -1.79 116.57 120.75 3dlk h LYS 32 Ca 0.16 -0.08 -0.28 0.00 -0.85 0.00 0.00 60.65 59.60 3dlk h LYS 32 Cb 0.55 -0.13 0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3dlk h LYS 32 CO 0.03 0.54 -1.15 0.00 -3.45 0.00 0.00 179.45 175.41 3dlk h ALA 33 N 1.56 0.11 -0.89 5.00 0.00 -0.85 -3.00 119.26 121.19 3dlk h ALA 33 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3dlk h ALA 33 Cb 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3dlk h ALA 33 CO -0.02 0.75 0.56 -0.07 0.00 0.00 0.00 179.25 180.47 3dlk h LEU 34 N 0.26 1.04 -0.56 0.00 3.38 -0.67 0.12 115.31 118.89 3dlk h LEU 34 Ca -0.15 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 3dlk h LEU 34 Cb 1.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3dlk h LEU 34 CO 0.21 0.78 -0.19 1.62 0.09 0.00 0.00 178.44 180.95 3dlk h VAL 35 N 1.21 1.27 -0.30 1.22 3.04 -1.39 -0.08 116.25 121.22 3dlk h VAL 35 Ca 0.32 -1.34 -0.02 0.00 -1.01 0.00 0.00 66.70 64.65 3dlk h VAL 35 Cb -0.10 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 3dlk h VAL 35 CO -0.07 0.46 0.12 -0.08 -1.01 0.00 0.00 177.57 177.00 3dlk h GLU 36 N 0.83 0.45 -0.27 4.17 4.81 -1.22 -0.53 114.58 122.82 3dlk h GLU 36 Ca 0.11 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3dlk h GLU 36 Cb 0.75 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3dlk h GLU 36 CO 0.06 0.46 0.06 0.82 -0.73 0.00 0.00 179.01 179.68 3dlk h ILE 37 N 0.33 1.22 -0.08 2.32 2.04 -0.65 -2.96 117.51 119.73 3dlk h ILE 37 Ca 0.10 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 3dlk h ILE 37 Cb 0.18 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3dlk h ILE 37 CO -0.01 0.24 -0.39 0.00 0.00 0.00 0.00 178.15 178.00 3dlk h THR 39 N 0.14 1.26 -0.29 0.00 2.02 -1.02 0.16 112.91 115.18 3dlk h THR 39 Ca 0.01 -0.82 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 3dlk h THR 39 Cb 0.75 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3dlk h THR 39 CO 0.06 0.34 -0.28 -0.33 0.37 0.00 0.00 175.52 175.67 3dlk h GLU 40 N 1.15 0.71 -0.60 6.66 5.08 -1.33 -2.32 114.58 123.92 3dlk h GLU 40 Ca 0.26 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3dlk h GLU 40 Cb 0.22 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3dlk h GLU 40 CO -0.02 0.98 0.25 0.52 -1.00 0.00 0.00 179.01 179.74 3dlk h MET 41 N 0.45 0.87 -0.05 2.33 2.86 -0.87 -2.14 114.93 118.39 3dlk h MET 41 Ca 0.05 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3dlk h MET 41 Cb 0.85 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3dlk h MET 41 CO 0.07 0.71 -0.44 1.49 1.06 0.00 0.00 176.91 179.80 3dlk h GLU 42 N 0.86 0.12 0.00 1.72 4.81 -0.57 -1.77 114.58 119.75 3dlk h GLU 42 Ca 0.21 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3dlk h GLU 42 Cb 0.16 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3dlk h GLU 42 CO -0.02 0.54 -0.33 0.87 -0.73 0.00 0.00 179.01 179.33 3dlk h LYS 43 N 0.10 0.00 -0.00 1.92 1.79 -0.83 -2.66 116.57 116.89 3dlk h LYS 43 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3dlk h LYS 43 Cb 0.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3dlk h LYS 43 CO 0.06 0.33 -0.32 0.39 -1.08 0.00 0.00 179.45 178.84 3dlk n GLU 44 N -3.55 0.16 -0.75 3.15 4.71 -0.88 -4.94 120.64 118.54 3dlk n GLU 44 Ca -0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 3dlk n GLU 44 Cb 0.47 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 3dlk n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dlk n GLY 45 N 1.46 0.76 0.26 0.62 0.00 -0.87 -4.93 105.19 102.49 3dlk n GLY 45 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3dlk n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dlk h LYS 46 N 2.72 0.59 -4.49 1.61 1.79 -1.60 -3.42 116.57 113.77 3dlk h LYS 46 Ca 0.00 -0.19 -0.20 0.00 -2.18 0.00 0.00 60.65 58.08 3dlk h LYS 46 Cb 0.00 -0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 30.45 3dlk h LYS 46 CO 0.00 0.72 -0.66 0.96 -1.08 0.00 0.00 179.45 179.40 3dlk s ILE 47 N -4.69 0.25 0.01 1.86 -4.36 -1.24 -0.87 121.20 112.16 3dlk s ILE 47 Ca -0.08 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 3dlk s ILE 47 Cb 0.14 -2.00 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 3dlk s ILE 47 CO 0.80 -0.53 -0.01 -0.44 0.24 0.00 0.00 174.94 174.99 3dlk s SER 48 N -3.06 0.10 0.16 4.36 0.01 0.16 -4.37 113.70 111.05 3dlk s SER 48 Ca 0.22 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 3dlk s SER 48 Cb 0.07 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.25 3dlk s SER 48 CO 0.01 -0.10 1.27 -0.75 0.41 0.00 0.00 173.24 174.08 3dlk s LYS 49 N -0.49 4.41 0.37 12.44 2.20 -1.26 -1.36 119.74 136.05 3dlk s LYS 49 Ca -0.05 1.96 0.09 0.00 -0.36 0.00 0.00 55.97 57.60 3dlk s LYS 49 Cb -0.03 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.98 3dlk s LYS 49 CO -0.00 -0.24 -0.01 0.96 -0.36 0.00 0.00 175.35 175.71 3dlk s ILE 50 N 0.37 2.31 0.35 5.43 -4.36 -0.35 -4.94 121.20 120.02 3dlk s ILE 50 Ca 0.57 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.92 3dlk s ILE 50 Cb -0.34 -2.82 0.07 0.00 1.25 0.00 0.00 42.46 40.62 3dlk s ILE 50 CO 0.35 -0.13 0.48 0.61 0.24 0.00 0.00 174.94 176.49 3dlk n GLY 51 N -0.94 0.34 0.00 6.27 0.00 -1.26 -4.54 105.19 105.07 3dlk n GLY 51 Ca -0.04 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.13 3dlk n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dlk n PRO 52 N -1.92 0.91 0.03 1.61 -0.02 -1.26 -3.91 135.00 130.43 3dlk n PRO 52 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 3dlk n PRO 52 Cb 0.27 -1.31 -0.09 0.00 -0.02 0.00 0.00 33.50 32.35 3dlk n PRO 52 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dlk h GLU 53 N 0.00 -0.12 -6.04 -0.52 3.07 -2.03 -3.43 114.58 105.50 3dlk h GLU 53 Ca 0.00 0.01 -0.67 0.00 -0.50 0.00 0.00 59.36 58.20 3dlk h GLU 53 Cb 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3dlk h GLU 53 CO 0.00 0.36 1.32 -1.71 -1.40 0.00 0.00 179.01 177.58 3dlk n ASN 54 N -4.89 2.33 -0.25 1.42 2.85 -1.25 -4.84 115.26 110.63 3dlk n ASN 54 Ca -0.08 0.55 0.13 0.00 -0.11 0.00 0.00 54.58 55.06 3dlk n ASN 54 Cb 0.27 -1.26 0.62 0.00 1.24 0.00 0.00 39.78 40.65 3dlk n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3dlk n PRO 55 N 7.70 1.33 -3.29 1.20 -0.04 -1.26 -4.91 135.00 135.72 3dlk n PRO 55 Ca 0.37 -0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 3dlk n PRO 55 Cb 0.23 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 3dlk n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dlk s TYR 56 N -1.96 3.48 -0.27 0.54 2.02 -1.26 -4.77 117.35 115.12 3dlk s TYR 56 Ca 0.37 0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 57.49 3dlk s TYR 56 Cb 0.19 -2.13 0.09 0.00 -0.40 0.00 0.00 41.96 39.71 3dlk s TYR 56 CO 0.30 0.14 0.84 1.21 -1.57 0.00 0.00 175.55 176.48 3dlk s ASN 57 N -3.20 -0.63 -0.03 2.29 2.47 -0.18 -4.69 114.94 110.97 3dlk s ASN 57 Ca 0.44 1.22 0.04 0.00 0.42 0.00 0.00 52.86 54.98 3dlk s ASN 57 Cb -0.11 1.23 -0.00 0.00 -1.45 0.00 0.00 41.25 40.92 3dlk s ASN 57 CO 0.30 -0.21 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.44 3dlk s THR 58 N 0.30 1.17 0.33 -5.21 2.01 -0.41 -1.27 115.64 112.56 3dlk s THR 58 Ca 0.01 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 3dlk s THR 58 Cb -0.05 -1.01 -0.11 0.00 0.01 0.00 0.00 72.50 71.35 3dlk s THR 58 CO -0.02 0.34 1.51 -2.84 -0.69 0.00 0.00 174.62 172.93 3dlk s PRO 59 N 0.00 4.14 -0.10 4.92 0.02 -1.26 -4.20 135.00 138.52 3dlk s PRO 59 Ca -0.01 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.58 3dlk s PRO 59 Cb -0.09 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.42 3dlk s PRO 59 CO 0.01 -0.54 -0.24 0.54 -0.33 0.00 0.00 177.00 176.44 3dlk s VAL 60 N -0.62 2.08 0.35 3.83 0.11 -1.26 -2.11 120.40 122.79 3dlk s VAL 60 Ca 0.57 -1.02 0.08 0.00 -2.93 0.00 0.00 61.98 58.69 3dlk s VAL 60 Cb -0.46 -1.79 -0.07 0.00 -1.53 0.00 0.00 36.38 32.53 3dlk s VAL 60 CO 0.55 0.56 -0.06 -0.36 -3.33 0.00 0.00 175.10 172.47 3dlk s PHE 61 N 0.28 2.36 -0.02 1.54 0.40 0.25 -4.88 117.98 117.90 3dlk s PHE 61 Ca -0.17 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 3dlk s PHE 61 Cb -0.17 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 41.92 3dlk s PHE 61 CO 0.08 0.49 -0.04 0.00 0.70 0.00 0.00 175.22 176.46 3dlk s ALA 62 N -2.71 0.48 -0.02 5.36 0.00 -1.26 0.33 121.76 123.94 3dlk s ALA 62 Ca 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3dlk s ALA 62 Cb 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3dlk s ALA 62 CO 0.16 0.02 0.04 0.96 0.00 0.00 0.00 175.76 176.94 3dlk s ILE 63 N 0.53 -0.02 0.59 0.00 -4.36 -0.76 -4.94 121.20 112.25 3dlk s ILE 63 Ca -0.06 0.09 -0.06 0.00 -0.26 0.00 0.00 60.65 60.35 3dlk s ILE 63 Cb -0.10 -0.08 0.01 0.00 1.25 0.00 0.00 42.46 43.55 3dlk s ILE 63 CO -0.00 0.04 0.91 -0.54 0.24 0.00 0.00 174.94 175.58 3dlk s LYS 64 N 0.46 2.93 0.52 0.37 1.02 -1.25 -1.66 119.74 122.14 3dlk s LYS 64 Ca -0.04 0.02 -0.05 0.00 0.02 0.00 0.00 55.97 55.92 3dlk s LYS 64 Cb -0.05 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 3dlk s LYS 64 CO -0.01 -0.71 0.83 0.15 -0.92 0.00 0.00 175.35 174.68 3dlk s LYS 65 N -5.01 3.26 -0.39 1.68 -0.14 -0.90 -4.92 119.74 113.32 3dlk s LYS 65 Ca 0.54 0.08 -0.29 0.00 -1.36 0.00 0.00 55.97 54.94 3dlk s LYS 65 Cb -0.11 -2.34 0.01 0.00 -1.68 0.00 0.00 37.83 33.71 3dlk s LYS 65 CO 0.45 -0.41 1.45 0.15 -0.76 0.00 0.00 175.35 176.23 3dlk s LYS 66 N -4.83 3.57 0.00 1.68 1.02 -1.26 -3.75 119.74 116.17 3dlk s LYS 66 Ca 0.50 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.51 3dlk s LYS 66 Cb -0.10 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 3dlk s LYS 66 CO 0.45 -1.56 0.00 -0.25 -0.92 0.00 0.00 175.35 173.06 3dlk n ASP 67 N 8.89 -0.67 -3.16 2.83 10.43 -1.26 -4.71 116.55 128.90 3dlk n ASP 67 Ca 0.17 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.28 3dlk n ASP 67 Cb 0.48 -2.23 -0.05 0.00 1.84 0.00 0.00 41.12 41.15 3dlk n ASP 67 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3dlk n SER 68 N -0.05 3.32 -4.67 -2.24 7.64 -1.25 -5.08 113.62 111.30 3dlk n SER 68 Ca 0.00 -3.42 -0.58 0.00 1.01 0.00 0.00 58.87 55.89 3dlk n SER 68 Cb 0.06 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 3dlk n SER 68 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dlk n THR 69 N 0.35 0.15 -3.65 0.44 -2.24 -1.26 -4.16 114.28 103.92 3dlk n THR 69 Ca 0.29 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 62.03 3dlk n THR 69 Cb 0.45 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 3dlk n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dlk s LYS 70 N 2.32 0.02 -0.00 -0.78 1.02 -1.26 -4.90 119.74 116.16 3dlk s LYS 70 Ca 0.95 0.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.79 3dlk s LYS 70 Cb -1.12 0.01 -0.06 0.00 -0.52 0.00 0.00 37.83 36.14 3dlk s LYS 70 CO 0.62 -0.01 0.45 -1.58 -0.92 0.00 0.00 175.35 173.92 3dlk s TRP 71 N -0.93 3.72 -0.03 3.18 0.23 -1.26 -2.12 118.94 121.72 3dlk s TRP 71 Ca 0.09 1.04 0.01 0.00 -2.03 0.00 0.00 56.10 55.21 3dlk s TRP 71 Cb -0.01 -2.37 0.02 0.00 0.03 0.00 0.00 33.47 31.14 3dlk s TRP 71 CO -0.09 0.57 -0.03 0.50 0.96 0.00 0.00 176.95 178.86 3dlk s ARG 72 N -0.85 0.56 0.38 4.98 3.52 -0.66 -4.96 118.95 121.92 3dlk s ARG 72 Ca 0.25 -0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.53 3dlk s ARG 72 Cb -0.17 -0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 32.51 3dlk s ARG 72 CO 0.14 -0.06 1.19 0.21 -0.81 0.00 0.00 175.30 175.97 3dlk s LYS 73 N 0.74 4.12 -0.20 5.12 2.20 -1.26 -1.82 119.74 128.63 3dlk s LYS 73 Ca -0.09 1.91 -0.04 0.00 -0.36 0.00 0.00 55.97 57.39 3dlk s LYS 73 Cb -0.12 -2.76 0.07 0.00 -1.51 0.00 0.00 37.83 33.51 3dlk s LYS 73 CO -0.00 -0.28 0.08 -1.17 -0.36 0.00 0.00 175.35 173.61 3dlk s LEU 74 N -2.33 0.70 -0.24 5.43 2.96 0.15 -4.93 118.68 120.41 3dlk s LEU 74 Ca 0.55 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 53.55 3dlk s LEU 74 Cb -0.32 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3dlk s LEU 74 CO 0.41 -0.36 0.12 -0.69 -1.32 0.00 0.00 176.35 174.51 3dlk s VAL 75 N 2.03 4.84 -0.82 1.68 1.01 -1.26 0.86 120.40 128.73 3dlk s VAL 75 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 3dlk s VAL 75 Cb -0.16 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.05 3dlk s VAL 75 CO -0.14 0.34 1.09 -0.62 0.00 0.00 0.00 175.10 175.77 3dlk s ASP 76 N 1.33 6.42 -0.13 3.32 2.15 -0.90 -4.89 116.67 123.98 3dlk s ASP 76 Ca 0.06 -1.54 0.03 0.00 0.43 0.00 0.00 52.55 51.53 3dlk s ASP 76 Cb -0.15 -2.42 0.27 0.00 -0.30 0.00 0.00 42.92 40.32 3dlk s ASP 76 CO 0.05 -1.27 1.17 0.49 -0.17 0.00 0.00 175.17 175.44 3dlk n PHE 77 N 7.27 0.97 -0.12 -5.34 3.01 -1.26 -4.39 117.46 117.60 3dlk n PHE 77 Ca 0.13 -0.66 -0.04 0.00 1.01 0.00 0.00 57.45 57.89 3dlk n PHE 77 Cb 0.48 -0.39 0.03 0.00 -0.01 0.00 0.00 39.48 39.59 3dlk n PHE 77 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3dlk h ARG 78 N 0.88 0.10 -0.25 -1.08 2.43 -1.90 0.46 114.38 115.03 3dlk h ARG 78 Ca 0.13 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3dlk h ARG 78 Cb 1.40 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 3dlk h ARG 78 CO 0.31 0.07 -0.09 1.49 -1.51 0.00 0.00 179.97 180.23 3dlk h GLU 79 N 0.10 0.51 -0.56 0.20 4.57 -2.00 -2.58 114.58 114.82 3dlk h GLU 79 Ca 0.20 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3dlk h GLU 79 Cb 0.29 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3dlk h GLU 79 CO -0.34 0.75 0.22 1.25 -1.18 0.00 0.00 179.01 179.72 3dlk h LEU 80 N 0.24 0.73 -0.94 1.64 5.85 -1.84 -1.99 115.31 119.01 3dlk h LEU 80 Ca 0.06 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3dlk h LEU 80 Cb 0.58 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3dlk h LEU 80 CO 0.03 0.66 0.01 0.78 -0.34 0.00 0.00 178.44 179.58 3dlk h ASN 81 N 0.80 0.75 0.32 1.25 2.35 -0.79 -0.61 115.58 119.64 3dlk h ASN 81 Ca 0.19 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3dlk h ASN 81 Cb 0.15 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3dlk h ASN 81 CO -0.02 0.81 -0.20 0.11 -1.65 0.00 0.00 177.43 176.48 3dlk h LYS 82 N 0.73 0.00 -0.02 0.81 1.57 -0.96 -2.84 116.57 115.86 3dlk h LYS 82 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3dlk h LYS 82 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3dlk h LYS 82 CO 0.02 0.20 -0.26 0.54 -0.57 0.00 0.00 179.45 179.38 3dlk n ARG 83 N -3.97 1.48 -3.33 3.15 1.74 -0.68 -4.94 116.66 110.12 3dlk n ARG 83 Ca -0.02 -1.14 -0.35 0.00 -0.77 0.00 0.00 57.85 55.57 3dlk n ARG 83 Cb 0.28 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3dlk n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dlk s THR 84 N -2.30 4.83 1.01 0.55 2.01 -0.32 -0.94 115.64 120.48 3dlk s THR 84 Ca 0.24 0.83 -0.12 0.00 0.31 0.00 0.00 61.69 62.95 3dlk s THR 84 Cb 0.19 -3.72 0.16 0.00 0.01 0.00 0.00 72.50 69.13 3dlk s THR 84 CO 0.47 0.17 0.83 0.00 -0.69 0.00 0.00 174.62 175.40 3dlk n GLN 85 N 0.59 -1.07 -2.58 4.92 10.64 -0.70 -4.54 117.38 124.64 3dlk n GLN 85 Ca -0.04 -0.27 -0.32 0.00 -1.83 0.00 0.00 57.00 54.55 3dlk n GLN 85 Cb 0.52 -2.14 -0.04 0.00 -0.86 0.00 0.00 30.24 27.72 3dlk n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3dlk s ASP 86 N -2.36 6.61 0.27 2.61 1.01 -1.26 -4.93 116.67 118.63 3dlk s ASP 86 Ca 0.64 1.44 0.07 0.00 0.71 0.00 0.00 52.55 55.40 3dlk s ASP 86 Cb -0.22 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 3dlk s ASP 86 CO 0.63 -0.51 -0.06 -0.36 0.21 0.00 0.00 175.17 175.07 3dlk s PHE 87 N -2.51 1.93 -0.05 4.23 0.40 -1.26 -5.10 117.98 115.63 3dlk s PHE 87 Ca 0.57 -0.69 -0.30 0.00 -0.60 0.00 0.00 56.93 55.91 3dlk s PHE 87 Cb -0.10 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 3dlk s PHE 87 CO 0.30 0.28 1.12 -0.46 0.70 0.00 0.00 175.22 177.17 3dlk s TRP 88 N -3.01 3.37 -0.50 0.36 -0.11 -1.26 -4.98 118.94 112.81 3dlk s TRP 88 Ca 0.29 1.38 -0.23 0.00 1.22 0.00 0.00 56.10 58.76 3dlk s TRP 88 Cb 0.03 -3.32 0.04 0.00 -1.50 0.00 0.00 33.47 28.71 3dlk s TRP 88 CO 0.12 -0.87 0.85 -2.00 -4.62 0.00 0.00 176.95 170.43 3dlk s GLU 89 N 1.86 3.35 0.00 5.86 2.12 -1.26 -4.81 118.70 125.82 3dlk s GLU 89 Ca 0.54 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.64 3dlk s GLU 89 Cb -0.23 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.15 3dlk s GLU 89 CO 0.23 -1.30 0.64 1.33 -0.54 0.00 0.00 175.26 175.61 3dlk n VAL 90 N 6.14 0.00 -3.48 3.70 0.24 -1.26 -4.75 118.33 118.92 3dlk n VAL 90 Ca 0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.34 3dlk n VAL 90 Cb 0.48 -0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 3dlk n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dlk s GLN 91 N -1.71 0.09 0.00 7.34 -2.07 -1.26 -4.92 119.66 117.12 3dlk s GLN 91 Ca 0.00 0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 3dlk s GLN 91 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 3dlk s GLN 91 CO 0.00 -0.02 0.00 1.28 -1.32 0.00 0.00 175.29 175.23 3dlk n LEU 92 N 3.75 0.00 -4.52 2.60 4.77 -1.26 -5.03 117.00 117.31 3dlk n LEU 92 Ca -0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 3dlk n LEU 92 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 3dlk n LEU 92 CO 0.02 0.01 0.25 -0.83 -1.33 0.00 0.00 177.39 175.51 3dlk s GLY 93 N 0.00 1.80 -0.18 -0.72 0.00 -1.26 -5.04 107.32 101.91 3dlk s GLY 93 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.28 3dlk s GLY 93 CO 0.00 1.34 0.58 -0.42 0.00 0.00 0.00 173.10 174.60 3dlk s ILE 94 N 2.49 5.07 0.33 0.90 1.01 -1.26 -5.05 121.20 124.69 3dlk s ILE 94 Ca 0.18 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.63 3dlk s ILE 94 Cb -0.15 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3dlk s ILE 94 CO 0.16 0.17 1.55 -2.84 0.00 0.00 0.00 174.94 173.97 3dlk s PRO 95 N 1.61 4.11 -0.16 2.79 0.02 -1.26 -4.99 135.00 137.12 3dlk s PRO 95 Ca 0.27 2.58 -0.08 0.00 0.02 0.00 0.00 61.00 63.79 3dlk s PRO 95 Cb -0.16 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3dlk s PRO 95 CO 0.11 -0.59 0.12 -1.58 -0.33 0.00 0.00 177.00 174.72 3dlk s HIS 96 N -0.49 3.45 0.55 6.54 2.46 -1.26 -5.00 115.29 121.54 3dlk s HIS 96 Ca 0.59 0.37 0.25 0.00 0.47 0.00 0.00 55.06 56.74 3dlk s HIS 96 Cb -0.47 -2.03 1.45 0.00 -0.13 0.00 0.00 32.58 31.39 3dlk s HIS 96 CO 0.55 0.47 2.04 -1.00 -2.47 0.00 0.00 174.74 174.33 3dlk h PRO 97 N 5.87 0.00 0.00 2.88 0.13 -1.96 -0.37 132.00 138.55 3dlk h PRO 97 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dlk h PRO 97 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dlk h PRO 97 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 3dlk n ALA 98 N -2.53 2.23 0.90 -0.56 0.00 -1.26 -2.32 120.51 116.97 3dlk n ALA 98 Ca 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.51 3dlk n ALA 98 Cb 0.46 -1.40 0.37 0.00 0.00 0.00 0.00 19.45 18.88 3dlk n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlk n GLY 99 N 0.87 -1.40 3.79 0.00 0.00 -0.15 -3.04 105.19 105.27 3dlk n GLY 99 Ca 0.11 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3dlk n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlk s LEU 100 N -3.32 4.20 0.07 0.99 1.43 -0.98 -4.80 118.68 116.28 3dlk s LEU 100 Ca 0.11 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 3dlk s LEU 100 Cb 0.17 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3dlk s LEU 100 CO 0.64 -0.21 0.23 -0.54 0.23 0.00 0.00 176.35 176.70 3dlk s LYS 101 N -2.42 3.45 0.19 1.70 1.02 -1.26 -1.85 119.74 120.57 3dlk s LYS 101 Ca 0.54 -0.44 -0.31 0.00 0.02 0.00 0.00 55.97 55.79 3dlk s LYS 101 Cb -0.17 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 3dlk s LYS 101 CO 0.21 0.59 1.48 0.21 -0.92 0.00 0.00 175.35 176.93 3dlk s LYS 102 N -2.60 4.26 0.02 1.68 2.47 -1.26 -4.97 119.74 119.34 3dlk s LYS 102 Ca 0.35 2.29 0.07 0.00 -1.56 0.00 0.00 55.97 57.12 3dlk s LYS 102 Cb -0.13 -3.15 -0.02 0.00 -1.46 0.00 0.00 37.83 33.07 3dlk s LYS 102 CO 0.28 -0.50 -0.20 0.15 0.16 0.00 0.00 175.35 175.24 3dlk s LYS 103 N 0.47 1.42 0.11 4.03 -0.14 -1.26 -5.02 119.74 119.35 3dlk s LYS 103 Ca 0.64 -0.85 -0.20 0.00 -1.36 0.00 0.00 55.97 54.21 3dlk s LYS 103 Cb -0.42 -1.47 -0.08 0.00 -1.68 0.00 0.00 37.83 34.18 3dlk s LYS 103 CO 0.36 0.38 1.75 -0.22 -0.76 0.00 0.00 175.35 176.86 3dlk h LYS 104 N 5.12 0.25 -5.58 1.68 3.64 -1.70 -3.44 116.57 116.55 3dlk h LYS 104 Ca -0.41 -0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 58.45 3dlk h LYS 104 Cb 1.16 -0.05 -0.26 0.00 -0.41 0.00 0.00 32.23 32.66 3dlk h LYS 104 CO 0.45 0.20 -0.82 -1.12 -2.27 0.00 0.00 179.45 175.90 3dlk s SER 105 N -5.41 1.95 0.00 4.20 0.01 0.17 -4.98 113.70 109.64 3dlk s SER 105 Ca -0.13 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 3dlk s SER 105 Cb 0.08 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3dlk s SER 105 CO 0.69 0.12 0.03 -0.69 0.41 0.00 0.00 173.24 173.80 3dlk s VAL 106 N -0.69 0.07 -0.08 3.43 1.01 -1.26 -1.28 120.40 121.60 3dlk s VAL 106 Ca 0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3dlk s VAL 106 Cb -0.08 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.10 3dlk s VAL 106 CO 0.01 -0.31 0.19 -0.89 0.00 0.00 0.00 175.10 174.10 3dlk s THR 107 N -0.96 -0.02 -0.29 3.92 2.01 -0.32 -5.01 115.64 114.97 3dlk s THR 107 Ca -0.10 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 3dlk s THR 107 Cb -0.06 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.18 3dlk s THR 107 CO -0.00 0.03 0.04 -0.69 -0.69 0.00 0.00 174.62 173.31 3dlk s VAL 108 N 0.62 3.52 -0.17 3.82 1.01 -1.26 -0.95 120.40 126.98 3dlk s VAL 108 Ca -0.04 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 3dlk s VAL 108 Cb -0.06 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3dlk s VAL 108 CO -0.03 0.03 0.11 -0.76 0.00 0.00 0.00 175.10 174.45 3dlk s LEU 109 N 1.40 4.14 -0.13 3.92 1.43 0.39 -4.90 118.68 124.93 3dlk s LEU 109 Ca 0.00 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3dlk s LEU 109 Cb -0.18 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3dlk s LEU 109 CO 0.00 0.24 0.23 1.51 0.23 0.00 0.00 176.35 178.56 3dlk s ASP 110 N 0.00 6.42 -0.40 2.29 -4.77 -1.26 0.14 116.67 119.09 3dlk s ASP 110 Ca 0.09 0.50 0.10 0.00 -3.30 0.00 0.00 52.55 49.93 3dlk s ASP 110 Cb -0.12 -2.14 0.43 0.00 -1.09 0.00 0.00 42.92 40.00 3dlk s ASP 110 CO -0.00 0.24 1.04 1.33 0.70 0.00 0.00 175.17 178.48 3dlk n VAL 111 N 2.85 1.87 -0.07 2.11 0.24 0.14 -4.26 118.33 121.20 3dlk n VAL 111 Ca -0.15 -4.33 -0.13 0.00 -2.04 0.00 0.00 64.34 57.69 3dlk n VAL 111 Cb 0.53 -0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 32.24 3dlk n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3dlk h GLY 112 N 2.75 0.52 -0.02 7.63 0.00 -1.89 -3.22 103.07 108.85 3dlk h GLY 112 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3dlk h GLY 112 CO 0.72 0.48 0.00 1.22 0.00 0.00 0.00 176.54 178.96 3dlk n ASP 113 N -4.45 0.89 -0.33 0.19 8.00 -1.26 -4.17 116.55 115.42 3dlk n ASP 113 Ca -0.05 -1.44 0.21 0.00 0.71 0.00 0.00 54.79 54.22 3dlk n ASP 113 Cb 0.40 -0.03 0.47 0.00 -0.02 0.00 0.00 41.12 41.94 3dlk n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dlk h ALA 114 N 4.01 2.11 -0.83 2.24 0.00 -1.89 0.13 119.26 125.03 3dlk h ALA 114 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3dlk h ALA 114 Cb 0.28 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3dlk h ALA 114 CO 0.00 -0.53 0.54 0.10 0.00 0.00 0.00 179.25 179.36 3dlk h TYR 115 N 0.45 0.94 0.00 0.00 -0.00 -1.83 0.78 116.97 117.30 3dlk h TYR 115 Ca 0.61 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 59.36 3dlk h TYR 115 Cb 1.42 -0.31 0.00 0.00 -0.00 0.00 0.00 36.73 37.84 3dlk h TYR 115 CO -0.00 0.50 0.00 0.34 -0.00 0.00 0.00 178.16 179.00 3dlk n PHE 116 N -4.48 0.00 0.27 0.10 -0.00 0.45 -1.70 117.46 112.10 3dlk n PHE 116 Ca 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.61 3dlk n PHE 116 Cb 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.72 3dlk n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3dlk n SER 117 N -0.98 1.82 -4.69 -2.13 7.64 0.26 -4.83 113.62 110.70 3dlk n SER 117 Ca 0.14 -1.43 -0.37 0.00 1.01 0.00 0.00 58.87 58.22 3dlk n SER 117 Cb 0.06 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 3dlk n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dlk s VAL 118 N -0.72 5.32 0.52 0.44 1.01 -0.69 -4.68 120.40 121.59 3dlk s VAL 118 Ca 0.11 0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 3dlk s VAL 118 Cb 0.07 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3dlk s VAL 118 CO 0.10 0.34 1.24 -2.16 0.00 0.00 0.00 175.10 174.63 3dlk s PRO 119 N 0.91 3.39 -0.08 2.72 0.04 -1.26 -1.10 135.00 139.62 3dlk s PRO 119 Ca 0.12 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3dlk s PRO 119 Cb -0.13 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3dlk s PRO 119 CO 0.04 -0.90 0.20 -1.17 0.04 0.00 0.00 177.00 175.22 3dlk s LEU 120 N -3.41 4.40 -0.29 -3.56 2.96 0.56 -4.60 118.68 114.75 3dlk s LEU 120 Ca 0.69 0.56 -0.42 0.00 -0.22 0.00 0.00 54.13 54.74 3dlk s LEU 120 Cb -0.33 -2.27 -0.18 0.00 0.50 0.00 0.00 46.19 43.92 3dlk s LEU 120 CO 0.39 0.37 1.58 -0.67 -1.32 0.00 0.00 176.35 176.69 3dlk n ASP 121 N 1.78 1.62 -0.26 3.68 4.64 -1.26 -4.83 116.55 121.93 3dlk n ASP 121 Ca -0.17 1.13 0.07 0.00 -1.38 0.00 0.00 54.79 54.43 3dlk n ASP 121 Cb 0.54 -1.03 0.19 0.00 -1.04 0.00 0.00 41.12 39.79 3dlk n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3dlk h GLU 122 N 5.67 0.21 0.00 -0.67 4.57 -1.95 -0.39 114.58 122.03 3dlk h GLU 122 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3dlk h GLU 122 Cb 1.35 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3dlk h GLU 122 CO 0.92 0.14 0.00 -0.25 -1.18 0.00 0.00 179.01 178.64 3dlk n ASP 123 N -5.21 0.00 -0.00 1.04 8.00 -1.26 -3.10 116.55 116.01 3dlk n ASP 123 Ca 0.15 0.40 0.11 0.00 0.71 0.00 0.00 54.79 56.15 3dlk n ASP 123 Cb 0.50 -0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 3dlk n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3dlk n PHE 124 N -1.46 0.03 -0.26 1.24 7.35 -0.17 -4.51 117.46 119.69 3dlk n PHE 124 Ca 0.06 0.01 0.11 0.00 -0.76 0.00 0.00 57.45 56.87 3dlk n PHE 124 Cb 0.21 -0.32 0.38 0.00 0.35 0.00 0.00 39.48 40.09 3dlk n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dlk h ARG 125 N 0.00 0.67 -0.27 -4.13 3.08 -1.46 -2.32 114.38 109.95 3dlk h ARG 125 Ca 0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.09 3dlk h ARG 125 Cb 0.80 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3dlk h ARG 125 CO 0.00 0.45 0.23 1.57 -1.07 0.00 0.00 179.97 181.14 3dlk h LYS 126 N 0.69 0.00 0.00 0.04 2.10 -1.80 -0.61 116.57 117.00 3dlk h LYS 126 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 3dlk h LYS 126 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3dlk h LYS 126 CO -0.19 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.92 3dlk n TYR 127 N -4.19 0.00 0.03 0.07 4.01 -0.87 -3.24 117.16 112.97 3dlk n TYR 127 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.89 3dlk n TYR 127 Cb 0.38 -0.24 0.25 0.00 -0.31 0.00 0.00 39.34 39.42 3dlk n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dlk n THR 128 N -1.24 0.70 -1.70 -0.72 -2.24 -0.24 -4.66 114.28 104.19 3dlk n THR 128 Ca 0.15 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.65 3dlk n THR 128 Cb 0.21 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 3dlk n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dlk n ALA 129 N 1.47 1.52 -2.22 6.98 0.00 -1.20 -4.43 120.51 122.64 3dlk n ALA 129 Ca 0.20 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 3dlk n ALA 129 Cb 0.59 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 3dlk n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3dlk s PHE 130 N -0.41 1.15 -0.06 0.00 -0.12 -0.59 -1.29 117.98 116.67 3dlk s PHE 130 Ca 0.63 -1.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 3dlk s PHE 130 Cb -0.59 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.18 3dlk s PHE 130 CO 0.54 -0.39 -0.07 0.99 -0.05 0.00 0.00 175.22 176.24 3dlk s THR 131 N -3.87 0.75 -0.44 -4.49 2.01 -1.26 -2.03 115.64 106.32 3dlk s THR 131 Ca 0.29 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 3dlk s THR 131 Cb 0.07 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.86 3dlk s THR 131 CO 0.06 0.28 0.75 -0.63 -0.69 0.00 0.00 174.62 174.39 3dlk s ILE 132 N 0.90 4.70 0.75 1.82 1.01 -0.30 -4.69 121.20 125.39 3dlk s ILE 132 Ca -0.11 0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.80 3dlk s ILE 132 Cb -0.15 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.07 3dlk s ILE 132 CO 0.01 -0.65 1.06 -0.81 0.00 0.00 0.00 174.94 174.55 3dlk n PRO 133 N 6.57 0.46 -3.75 2.79 -0.04 -1.26 -1.84 135.00 137.92 3dlk n PRO 133 Ca 0.01 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.33 3dlk n PRO 133 Cb 0.48 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 3dlk n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dlk s SER 134 N -1.76 6.53 0.37 3.54 1.04 -1.26 -4.82 113.70 117.33 3dlk s SER 134 Ca 0.74 0.62 -0.26 0.00 0.48 0.00 0.00 55.95 57.53 3dlk s SER 134 Cb -0.33 -2.12 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 3dlk s SER 134 CO 0.50 0.34 1.12 0.27 0.98 0.00 0.00 173.24 176.45 3dlk s ILE 135 N -1.12 3.39 0.00 -1.02 -0.00 -1.26 -2.74 121.20 118.45 3dlk s ILE 135 Ca 0.21 1.20 0.00 0.00 -0.00 0.00 0.00 60.65 62.06 3dlk s ILE 135 Cb -0.14 -3.68 0.00 0.00 -0.00 0.00 0.00 42.46 38.64 3dlk s ILE 135 CO 0.10 0.13 0.00 0.59 -0.00 0.00 0.00 174.94 175.76 3dlk n ASN 136 N 0.33 -0.81 -3.65 4.36 3.02 -1.26 -3.54 115.26 113.71 3dlk n ASN 136 Ca 0.03 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.31 3dlk n ASN 136 Cb 0.47 -1.44 0.01 0.00 -0.61 0.00 0.00 39.78 38.21 3dlk n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dlk n ASN 137 N -0.09 -4.46 -0.00 6.41 3.02 -1.11 -4.87 115.26 114.16 3dlk n ASN 137 Ca 0.00 -0.61 0.09 0.00 -0.03 0.00 0.00 54.58 54.03 3dlk n ASN 137 Cb 0.05 -3.61 -0.12 0.00 -0.61 0.00 0.00 39.78 35.49 3dlk n ASN 137 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dlk n GLU 138 N -4.25 0.83 -4.18 3.52 1.02 -1.23 -4.98 120.64 111.37 3dlk n GLU 138 Ca 0.01 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3dlk n GLU 138 Cb 0.54 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 3dlk n GLU 138 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dlk s THR 139 N -2.89 0.86 0.43 2.62 -4.23 -1.26 -5.12 115.64 106.05 3dlk s THR 139 Ca 0.03 -1.82 -0.26 0.00 -1.18 0.00 0.00 61.69 58.47 3dlk s THR 139 Cb 0.13 -1.55 -0.08 0.00 1.34 0.00 0.00 72.50 72.34 3dlk s THR 139 CO 0.76 -0.72 1.34 -2.84 -0.54 0.00 0.00 174.62 172.63 3dlk s PRO 140 N -3.35 3.84 0.76 3.99 0.02 -1.26 -4.63 135.00 134.37 3dlk s PRO 140 Ca 0.09 2.24 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 3dlk s PRO 140 Cb 0.01 -2.69 0.05 0.00 0.02 0.00 0.00 34.50 31.89 3dlk s PRO 140 CO -0.02 -0.63 1.24 0.41 -0.33 0.00 0.00 177.00 177.67 3dlk n GLY 141 N 0.63 0.19 3.64 0.52 0.00 -1.26 -4.83 105.19 104.08 3dlk n GLY 141 Ca 0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3dlk n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dlk s ILE 142 N -1.87 4.73 -0.17 -0.61 1.01 -0.77 -4.87 121.20 118.64 3dlk s ILE 142 Ca 0.77 1.60 -0.14 0.00 0.00 0.00 0.00 60.65 62.88 3dlk s ILE 142 Cb -0.32 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 3dlk s ILE 142 CO 0.47 -0.22 0.28 -0.13 0.00 0.00 0.00 174.94 175.34 3dlk s ARG 143 N 3.10 4.24 0.24 2.79 1.81 -1.26 -1.15 118.95 128.72 3dlk s ARG 143 Ca 0.38 0.06 0.04 0.00 -1.72 0.00 0.00 55.73 54.49 3dlk s ARG 143 Cb -0.14 -3.44 -0.05 0.00 -0.45 0.00 0.00 34.95 30.86 3dlk s ARG 143 CO 0.10 0.20 -0.02 0.71 -0.68 0.00 0.00 175.30 175.62 3dlk s TYR 144 N 0.58 1.65 0.02 -0.53 1.51 -0.86 -1.22 117.35 118.51 3dlk s TYR 144 Ca 0.15 -0.87 -0.15 0.00 -1.01 0.00 0.00 57.07 55.20 3dlk s TYR 144 Cb -0.13 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.79 3dlk s TYR 144 CO 0.04 0.03 0.32 1.14 -1.11 0.00 0.00 175.55 175.97 3dlk s GLN 145 N -3.83 0.76 0.28 -0.62 -2.07 -0.46 -1.54 119.66 112.18 3dlk s GLN 145 Ca 0.28 -0.36 -0.19 0.00 -1.82 0.00 0.00 55.36 53.28 3dlk s GLN 145 Cb 0.05 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.22 3dlk s GLN 145 CO 0.09 -0.23 0.77 0.71 -1.32 0.00 0.00 175.29 175.31 3dlk s TYR 146 N -2.02 3.54 -0.29 9.60 2.02 -1.26 -0.67 117.35 128.27 3dlk s TYR 146 Ca -0.09 1.40 0.07 0.00 -0.37 0.00 0.00 57.07 58.08 3dlk s TYR 146 Cb -0.03 -2.65 -0.08 0.00 -0.40 0.00 0.00 41.96 38.81 3dlk s TYR 146 CO 0.00 0.21 0.28 0.09 -1.57 0.00 0.00 175.55 174.56 3dlk n ASN 147 N 0.26 0.72 -4.43 2.29 3.02 -0.05 -4.68 115.26 112.38 3dlk n ASN 147 Ca 0.01 -0.58 -0.21 0.00 -0.03 0.00 0.00 54.58 53.77 3dlk n ASN 147 Cb 0.52 1.04 -0.11 0.00 -0.61 0.00 0.00 39.78 40.63 3dlk n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dlk s VAL 148 N -1.77 1.17 -0.05 2.41 -7.23 -1.23 -0.32 120.40 113.37 3dlk s VAL 148 Ca 0.02 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 3dlk s VAL 148 Cb 0.05 -2.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 3dlk s VAL 148 CO 0.29 -0.04 2.01 0.18 -0.31 0.00 0.00 175.10 177.23 3dlk n LEU 149 N -0.65 3.77 -4.79 1.32 4.77 -0.26 -4.58 117.00 116.58 3dlk n LEU 149 Ca -0.02 0.78 -0.35 0.00 -0.03 0.00 0.00 56.01 56.39 3dlk n LEU 149 Cb 0.66 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 3dlk n LEU 149 CO 0.42 -0.04 0.74 -2.84 -1.33 0.00 0.00 177.39 174.33 3dlk s PRO 150 N 4.77 3.75 0.06 3.23 0.02 -1.26 -4.39 135.00 141.18 3dlk s PRO 150 Ca 0.93 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.11 3dlk s PRO 150 Cb -0.50 -2.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.80 3dlk s PRO 150 CO 0.44 -0.49 1.32 -1.14 -0.33 0.00 0.00 177.00 176.80 3dlk s GLN 151 N -3.10 4.35 0.00 5.54 0.74 -1.26 -2.74 119.66 123.18 3dlk s GLN 151 Ca 0.67 1.92 0.00 0.00 0.05 0.00 0.00 55.36 58.00 3dlk s GLN 151 Cb -0.20 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.53 3dlk s GLN 151 CO 0.24 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 3dlk n GLY 152 N 3.44 0.78 3.79 2.59 0.00 -1.26 -4.87 105.19 109.66 3dlk n GLY 152 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3dlk n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dlk s TRP 153 N -2.40 3.69 0.31 1.61 -0.00 -1.11 -4.75 118.94 116.28 3dlk s TRP 153 Ca 0.00 1.65 0.07 0.00 -0.00 0.00 0.00 56.10 57.82 3dlk s TRP 153 Cb 0.00 -2.81 0.83 0.00 -0.00 0.00 0.00 33.47 31.49 3dlk s TRP 153 CO 0.00 0.27 1.70 -0.22 -0.00 0.00 0.00 176.95 178.70 3dlk h LYS 154 N 3.33 0.42 -0.01 5.86 3.64 -1.91 -2.58 116.57 125.32 3dlk h LYS 154 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dlk h LYS 154 Cb 1.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3dlk h LYS 154 CO 0.65 0.28 -0.44 0.41 -2.27 0.00 0.00 179.45 178.07 3dlk n GLY 155 N -1.32 -0.73 0.20 5.01 0.00 -1.26 -4.46 105.19 102.64 3dlk n GLY 155 Ca 0.25 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3dlk n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dlk h SER 156 N 0.94 -0.47 -0.03 1.61 0.02 -1.75 0.13 113.55 113.99 3dlk h SER 156 Ca 0.00 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3dlk h SER 156 Cb 0.54 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3dlk h SER 156 CO 0.00 -0.21 -0.21 -0.65 -1.14 0.00 0.00 176.83 174.62 3dlk h PRO 157 N -0.24 -0.31 -0.48 3.45 0.11 -1.78 -0.11 132.00 132.65 3dlk h PRO 157 Ca 0.07 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 3dlk h PRO 157 Cb 0.33 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3dlk h PRO 157 CO -0.19 -0.20 -0.16 0.00 -0.21 0.00 0.00 178.00 177.24 3dlk h ALA 158 N 0.59 0.82 -0.29 -0.75 0.00 -1.80 -2.45 119.26 115.39 3dlk h ALA 158 Ca 0.07 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 3dlk h ALA 158 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dlk h ALA 158 CO -0.21 0.65 -0.48 0.82 0.00 0.00 0.00 179.25 180.03 3dlk h ILE 159 N 0.82 1.29 -0.21 0.00 2.04 -0.58 -2.03 117.51 118.83 3dlk h ILE 159 Ca 0.12 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 3dlk h ILE 159 Cb 0.70 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3dlk h ILE 159 CO 0.05 0.54 -0.00 0.77 0.00 0.00 0.00 178.15 179.51 3dlk h SER 160 N 0.62 0.37 -0.92 1.72 4.64 -0.99 -1.78 113.55 117.21 3dlk h SER 160 Ca 0.03 -0.31 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3dlk h SER 160 Cb 1.06 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 3dlk h SER 160 CO 0.10 0.59 0.59 1.56 -0.87 0.00 0.00 176.83 178.81 3dlk h GLN 161 N 0.14 1.08 -0.60 4.77 7.50 -1.45 -0.36 115.11 126.19 3dlk h GLN 161 Ca 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.11 3dlk h GLN 161 Cb 0.40 -0.24 -0.03 0.00 0.05 0.00 0.00 27.48 27.66 3dlk h GLN 161 CO 0.01 0.71 0.25 1.03 -1.50 0.00 0.00 178.83 179.34 3dlk h SER 162 N 1.11 0.82 -0.63 1.46 0.87 -1.20 -1.36 113.55 114.63 3dlk h SER 162 Ca 0.38 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 3dlk h SER 162 Cb 0.07 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3dlk h SER 162 CO -0.14 0.76 0.04 0.28 -0.53 0.00 0.00 176.83 177.24 3dlk h SER 163 N 0.84 1.05 -0.65 6.23 0.02 -0.74 -2.40 113.55 117.90 3dlk h SER 163 Ca 0.20 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3dlk h SER 163 Cb 0.19 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3dlk h SER 163 CO -0.02 1.08 0.38 -0.03 -1.14 0.00 0.00 176.83 177.10 3dlk h MET 164 N 0.99 0.88 0.18 3.45 -1.53 -0.75 -1.32 114.93 116.82 3dlk h MET 164 Ca 0.18 -0.09 -0.00 0.00 -3.44 0.00 0.00 59.70 56.35 3dlk h MET 164 Cb 0.52 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 3dlk h MET 164 CO 0.02 0.64 -0.12 1.15 0.14 0.00 0.00 176.91 178.75 3dlk h THR 165 N 0.88 0.73 -0.85 -0.77 2.02 -1.00 -1.38 112.91 112.54 3dlk h THR 165 Ca 0.23 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.51 3dlk h THR 165 Cb -0.00 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 3dlk h THR 165 CO -0.04 0.00 0.55 0.11 0.37 0.00 0.00 175.52 176.51 3dlk h LYS 166 N -0.30 0.76 -0.05 6.66 1.57 -1.18 -1.42 116.57 122.62 3dlk h LYS 166 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3dlk h LYS 166 Cb 0.26 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dlk h LYS 166 CO 0.00 0.50 0.01 0.82 -0.57 0.00 0.00 179.45 180.21 3dlk h ILE 167 N 0.78 1.22 0.00 1.86 1.08 -0.72 -3.23 117.51 118.50 3dlk h ILE 167 Ca 0.40 -0.67 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 3dlk h ILE 167 Cb 0.48 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 3dlk h ILE 167 CO -0.16 0.18 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.14 3dlk h LEU 168 N -0.18 0.00 -0.63 1.44 3.38 -0.74 -3.34 115.31 115.24 3dlk h LEU 168 Ca 0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3dlk h LEU 168 Cb 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 3dlk h LEU 168 CO 0.00 0.27 -0.25 -0.33 0.09 0.00 0.00 178.44 178.22 3dlk h GLU 169 N 0.00 -0.09 -0.21 1.13 5.08 -1.30 0.17 114.58 119.37 3dlk h GLU 169 Ca -0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3dlk h GLU 169 Cb 0.71 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3dlk h GLU 169 CO 0.04 -0.06 0.08 -1.35 -1.00 0.00 0.00 179.01 176.71 3dlk h PRO 170 N -0.09 0.17 -0.53 2.33 0.11 -1.77 0.20 132.00 132.42 3dlk h PRO 170 Ca 0.28 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.40 3dlk h PRO 170 Cb 0.53 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 3dlk h PRO 170 CO -0.68 0.11 0.32 0.35 -0.21 0.00 0.00 178.00 177.89 3dlk h PHE 171 N 0.18 0.60 -0.82 0.65 3.57 -1.52 -1.52 116.94 118.07 3dlk h PHE 171 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3dlk h PHE 171 Cb 0.05 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3dlk h PHE 171 CO -0.12 0.35 0.46 0.87 -2.23 0.00 0.00 178.31 177.64 3dlk h LYS 172 N 0.64 1.14 -0.38 1.11 1.57 -0.32 -2.21 116.57 118.11 3dlk h LYS 172 Ca 0.21 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3dlk h LYS 172 Cb 0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3dlk h LYS 172 CO -0.09 0.82 0.11 -0.22 -0.57 0.00 0.00 179.45 179.50 3dlk h LYS 173 N 1.15 0.56 0.00 3.15 3.64 -0.10 -2.43 116.57 122.54 3dlk h LYS 173 Ca 0.29 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3dlk h LYS 173 Cb 0.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3dlk h LYS 173 CO -0.05 0.50 -0.29 1.04 -2.27 0.00 0.00 179.45 178.39 3dlk n GLN 174 N -4.34 0.06 -3.19 1.90 6.02 -0.66 -4.27 117.38 112.90 3dlk n GLN 174 Ca 0.02 0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 3dlk n GLN 174 Cb 0.18 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 3dlk n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3dlk n ASN 175 N -1.64 1.02 0.07 1.08 3.02 -0.90 -4.96 115.26 112.95 3dlk n ASN 175 Ca 0.06 -2.95 0.04 0.00 -0.03 0.00 0.00 54.58 51.70 3dlk n ASN 175 Cb 0.36 -0.63 0.23 0.00 -0.61 0.00 0.00 39.78 39.13 3dlk n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3dlk n PRO 176 N 0.76 0.05 0.01 3.52 -0.04 -1.10 -1.24 135.00 136.96 3dlk n PRO 176 Ca 0.24 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.35 3dlk n PRO 176 Cb 0.57 -1.73 0.22 0.00 -0.04 0.00 0.00 33.50 32.52 3dlk n PRO 176 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dlk n ASP 177 N -1.78 0.54 -4.86 3.54 8.00 -1.26 -4.87 116.55 115.85 3dlk n ASP 177 Ca -0.01 -0.25 -0.37 0.00 0.71 0.00 0.00 54.79 54.87 3dlk n ASP 177 Cb 0.06 0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 3dlk n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dlk s ILE 178 N -3.02 5.26 -0.19 0.53 1.01 -0.37 -4.64 121.20 119.78 3dlk s ILE 178 Ca 0.10 0.48 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 3dlk s ILE 178 Cb 0.17 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 3dlk s ILE 178 CO 0.71 0.55 -0.01 0.54 0.00 0.00 0.00 174.94 176.74 3dlk s VAL 179 N -1.10 3.94 -0.14 2.92 0.11 0.76 -4.96 120.40 121.92 3dlk s VAL 179 Ca 0.21 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3dlk s VAL 179 Cb -0.14 -2.77 0.02 0.00 -1.53 0.00 0.00 36.38 31.96 3dlk s VAL 179 CO 0.10 0.44 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.52 3dlk s ILE 180 N 0.84 1.71 -0.04 7.04 1.01 -1.26 -0.53 121.20 129.97 3dlk s ILE 180 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.96 3dlk s ILE 180 Cb -0.14 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3dlk s ILE 180 CO 0.02 0.48 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 3dlk s TYR 181 N 1.16 1.82 -0.10 3.97 4.12 -0.19 -4.97 117.35 123.16 3dlk s TYR 181 Ca -0.01 -0.47 0.03 0.00 0.02 0.00 0.00 57.07 56.64 3dlk s TYR 181 Cb -0.14 -1.20 -0.01 0.00 -1.52 0.00 0.00 41.96 39.09 3dlk s TYR 181 CO -0.06 -0.13 -0.20 -1.14 0.02 0.00 0.00 175.55 174.04 3dlk s GLN 182 N -0.14 3.03 -0.24 -0.62 0.74 -1.26 -0.54 119.66 120.63 3dlk s GLN 182 Ca -0.00 -0.81 -0.04 0.00 0.05 0.00 0.00 55.36 54.56 3dlk s GLN 182 Cb -0.11 -2.39 0.09 0.00 1.10 0.00 0.00 33.01 31.71 3dlk s GLN 182 CO 0.01 0.26 0.14 -0.47 -0.55 0.00 0.00 175.29 174.68 3dlk s TYR 183 N 0.18 0.15 0.00 1.67 5.04 -0.64 -5.03 117.35 118.71 3dlk s TYR 183 Ca -0.11 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 53.99 3dlk s TYR 183 Cb -0.16 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.41 3dlk s TYR 183 CO 0.06 -0.71 0.00 -1.33 -1.34 0.00 0.00 175.55 172.23 3dlk n MET 184 N 5.27 0.00 -0.00 4.97 2.81 -1.26 -1.57 117.12 127.34 3dlk n MET 184 Ca -0.06 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.97 3dlk n MET 184 Cb 0.45 0.00 0.80 0.00 -0.71 0.00 0.00 33.22 33.76 3dlk n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3dlk n ASP 185 N 6.34 0.22 -4.41 7.83 5.75 -1.26 -4.81 116.55 126.21 3dlk n ASP 185 Ca 0.00 -1.17 -0.34 0.00 -0.01 0.00 0.00 54.79 53.27 3dlk n ASP 185 Cb 0.00 -0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.95 3dlk n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3dlk s ASP 186 N -1.89 4.45 -0.33 -1.12 1.01 -0.61 0.23 116.67 118.41 3dlk s ASP 186 Ca 0.42 -0.26 -0.06 0.00 0.71 0.00 0.00 52.55 53.36 3dlk s ASP 186 Cb 0.20 -1.73 0.03 0.00 1.01 0.00 0.00 42.92 42.43 3dlk s ASP 186 CO 0.33 0.11 0.10 -0.76 0.21 0.00 0.00 175.17 175.16 3dlk s LEU 187 N 0.71 4.25 -0.14 1.23 1.43 0.36 -1.62 118.68 124.90 3dlk s LEU 187 Ca -0.03 -1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 51.77 3dlk s LEU 187 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3dlk s LEU 187 CO 0.02 -0.31 0.65 -0.47 0.23 0.00 0.00 176.35 176.48 3dlk s TYR 188 N 1.42 3.47 -0.15 0.29 5.04 0.30 -0.46 117.35 127.25 3dlk s TYR 188 Ca -0.01 1.06 -0.00 0.00 -2.44 0.00 0.00 57.07 55.68 3dlk s TYR 188 Cb -0.19 -2.79 0.03 0.00 0.35 0.00 0.00 41.96 39.37 3dlk s TYR 188 CO 0.03 -0.04 -0.08 0.08 -1.34 0.00 0.00 175.55 174.20 3dlk s VAL 189 N 1.38 1.22 0.09 3.14 1.01 -0.12 -1.03 120.40 126.09 3dlk s VAL 189 Ca 0.32 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3dlk s VAL 189 Cb -0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3dlk s VAL 189 CO 0.13 0.24 -0.14 -0.83 0.00 0.00 0.00 175.10 174.50 3dlk s GLY 190 N 1.60 0.94 0.30 4.51 0.00 0.31 -1.17 107.32 113.81 3dlk s GLY 190 Ca 0.02 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.44 3dlk s GLY 190 CO -0.08 -1.15 0.71 -1.35 0.00 0.00 0.00 173.10 171.23 3dlk s SER 191 N -2.00 -0.17 -0.45 1.64 1.04 -0.40 -0.17 113.70 113.18 3dlk s SER 191 Ca 0.02 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.72 3dlk s SER 191 Cb -0.08 0.74 0.49 0.00 0.10 0.00 0.00 66.02 67.27 3dlk s SER 191 CO 0.02 -1.40 1.66 0.47 0.98 0.00 0.00 173.24 174.97 3dlk n ASP 192 N -0.67 5.33 -4.89 7.02 8.00 -1.26 -0.65 116.55 129.42 3dlk n ASP 192 Ca -0.05 -3.76 -0.32 0.00 0.71 0.00 0.00 54.79 51.38 3dlk n ASP 192 Cb 0.59 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 3dlk n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dlk s LEU 193 N -3.58 4.26 0.67 0.64 1.43 -1.26 -4.85 118.68 115.98 3dlk s LEU 193 Ca 0.56 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 54.13 3dlk s LEU 193 Cb 0.46 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3dlk s LEU 193 CO 0.02 0.04 1.27 -1.83 0.23 0.00 0.00 176.35 176.08 3dlk s GLU 194 N -2.65 2.43 0.30 1.70 -1.05 -1.26 -4.29 118.70 113.89 3dlk s GLU 194 Ca 0.42 1.98 0.04 0.00 -0.15 0.00 0.00 54.97 57.26 3dlk s GLU 194 Cb -0.12 -1.84 0.80 0.00 -0.44 0.00 0.00 34.13 32.53 3dlk s GLU 194 CO 0.24 -1.66 1.62 0.97 0.95 0.00 0.00 175.26 177.37 3dlk h ILE 195 N 0.32 0.20 0.23 1.83 6.09 -1.97 -0.78 117.51 123.42 3dlk h ILE 195 Ca -0.50 -0.05 0.01 0.00 -1.37 0.00 0.00 64.86 62.95 3dlk h ILE 195 Cb 1.33 0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.64 3dlk h ILE 195 CO 0.52 0.02 -0.28 1.23 -3.07 0.00 0.00 178.15 176.57 3dlk h GLY 196 N 0.13 -0.60 2.00 8.18 0.00 -2.01 -2.08 103.07 108.69 3dlk h GLY 196 Ca 0.60 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 48.19 3dlk h GLY 196 CO -0.74 -0.25 -0.35 1.46 0.00 0.00 0.00 176.54 176.67 3dlk h GLN 197 N -0.56 0.00 0.36 4.80 4.20 -1.63 -2.96 115.11 119.31 3dlk h GLN 197 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3dlk h GLN 197 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3dlk h GLN 197 CO -0.09 0.35 -0.17 1.25 -0.67 0.00 0.00 178.83 179.49 3dlk h HIS 198 N 0.00 -0.45 -0.90 2.96 2.76 -0.88 -1.67 115.15 116.98 3dlk h HIS 198 Ca -0.00 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.34 3dlk h HIS 198 Cb 0.70 0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.74 3dlk h HIS 198 CO 0.00 -0.18 0.59 0.00 -1.30 0.00 0.00 177.93 177.04 3dlk h ARG 199 N -0.65 0.47 -0.09 5.26 3.08 -1.33 -0.58 114.38 120.54 3dlk h ARG 199 Ca -0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3dlk h ARG 199 Cb 0.46 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3dlk h ARG 199 CO 0.08 0.31 0.03 1.15 -1.07 0.00 0.00 179.97 180.48 3dlk h THR 200 N 0.49 1.15 -0.42 2.04 2.02 -1.29 -1.63 112.91 115.27 3dlk h THR 200 Ca 0.47 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3dlk h THR 200 Cb 1.04 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3dlk h THR 200 CO -0.19 0.13 0.10 0.50 0.37 0.00 0.00 175.52 176.43 3dlk h LYS 201 N -0.02 0.61 -0.36 6.66 1.63 -0.23 -1.37 116.57 123.50 3dlk h LYS 201 Ca 0.03 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 3dlk h LYS 201 Cb 0.18 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3dlk h LYS 201 CO -0.00 0.56 0.02 0.82 -3.45 0.00 0.00 179.45 177.40 3dlk h ILE 202 N 0.60 1.20 0.01 2.00 1.08 -0.88 -0.66 117.51 120.85 3dlk h ILE 202 Ca 0.14 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3dlk h ILE 202 Cb 0.23 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3dlk h ILE 202 CO -0.00 0.27 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.64 3dlk h GLU 203 N 0.54 -0.01 -0.28 2.37 4.81 -0.28 -0.90 114.58 120.83 3dlk h GLU 203 Ca 0.12 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3dlk h GLU 203 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3dlk h GLU 203 CO 0.01 0.07 0.15 0.93 -0.73 0.00 0.00 179.01 179.45 3dlk h GLU 204 N -0.09 0.31 -0.32 1.92 5.08 -1.00 -0.62 114.58 119.86 3dlk h GLU 204 Ca -0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3dlk h GLU 204 Cb 0.09 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3dlk h GLU 204 CO 0.00 0.21 0.11 1.25 -1.00 0.00 0.00 179.01 179.58 3dlk h LEU 205 N 0.32 0.11 -0.40 1.33 5.85 -0.98 0.17 115.31 121.71 3dlk h LEU 205 Ca 0.11 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3dlk h LEU 205 Cb 0.01 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3dlk h LEU 205 CO -0.06 0.10 0.24 -0.09 -0.34 0.00 0.00 178.44 178.29 3dlk h ARG 206 N 0.25 0.47 -0.77 1.25 2.43 -0.86 -0.42 114.38 116.72 3dlk h ARG 206 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dlk h ARG 206 Cb 0.12 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3dlk h ARG 206 CO -0.15 0.31 0.46 1.96 -1.51 0.00 0.00 179.97 181.03 3dlk h GLN 207 N 0.48 1.06 -0.71 0.20 1.08 -0.67 -1.19 115.11 115.36 3dlk h GLN 207 Ca 0.16 -0.10 0.04 0.00 -1.45 0.00 0.00 58.65 57.30 3dlk h GLN 207 Cb -0.00 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.16 3dlk h GLN 207 CO -0.07 0.76 0.43 1.25 -0.95 0.00 0.00 178.83 180.25 3dlk h HIS 208 N 1.06 0.80 -0.21 2.96 2.76 0.08 -1.74 115.15 120.87 3dlk h HIS 208 Ca 0.28 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.36 3dlk h HIS 208 Cb -0.02 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 3dlk h HIS 208 CO -0.00 0.43 -0.34 -0.07 -1.30 0.00 0.00 177.93 176.65 3dlk h LEU 209 N 0.82 0.46 -0.64 0.26 3.38 -0.58 -3.11 115.31 115.90 3dlk h LEU 209 Ca 0.30 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3dlk h LEU 209 Cb 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3dlk h LEU 209 CO -0.14 0.77 0.25 0.25 0.09 0.00 0.00 178.44 179.66 3dlk h LEU 210 N 0.38 0.89 -2.85 1.67 5.85 -0.38 -1.87 115.31 118.99 3dlk h LEU 210 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3dlk h LEU 210 Cb 0.78 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3dlk h LEU 210 CO 0.06 0.82 0.04 0.03 -0.34 0.00 0.00 178.44 179.05 3dlk h ARG 211 N 0.90 0.00 -0.64 1.25 3.08 -1.32 0.72 114.38 118.37 3dlk h ARG 211 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3dlk h ARG 211 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3dlk h ARG 211 CO -0.02 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.79 3dlk n TRP 212 N -3.10 1.26 -0.96 3.04 7.02 -0.94 -4.94 117.44 118.82 3dlk n TRP 212 Ca -0.03 -0.58 0.00 0.00 -1.02 0.00 0.00 57.50 55.87 3dlk n TRP 212 Cb 0.11 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 3dlk n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dlk n GLY 213 N 1.17 0.54 3.56 6.99 0.00 0.25 -4.67 105.19 113.01 3dlk n GLY 213 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3dlk n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlk s LEU 214 N 0.00 3.63 -0.14 0.99 1.43 -0.75 -4.88 118.68 118.96 3dlk s LEU 214 Ca 0.00 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3dlk s LEU 214 Cb 0.00 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dlk s LEU 214 CO 0.00 0.10 -0.13 -0.89 0.23 0.00 0.00 176.35 175.66 3dlk s THR 215 N 0.81 3.00 0.32 5.49 2.01 -1.26 -2.83 115.64 123.18 3dlk s THR 215 Ca 0.03 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 3dlk s THR 215 Cb -0.14 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 70.02 3dlk s THR 215 CO 0.02 0.52 0.74 -0.89 -0.69 0.00 0.00 174.62 174.32 3dlk s THR 216 N 0.47 4.66 0.14 -0.82 2.01 -1.26 -4.87 115.64 115.98 3dlk s THR 216 Ca -0.09 0.99 -0.32 0.00 0.31 0.00 0.00 61.69 62.58 3dlk s THR 216 Cb -0.16 -3.63 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 3dlk s THR 216 CO 0.04 -0.16 1.81 -2.65 -0.69 0.00 0.00 174.62 172.97 3dlk n PRO 217 N -0.29 2.77 -2.28 4.92 -0.02 -1.26 -4.95 135.00 133.88 3dlk n PRO 217 Ca 0.03 1.00 -0.14 0.00 -2.02 0.00 0.00 63.50 62.38 3dlk n PRO 217 Cb 0.53 -2.89 0.05 0.00 -0.02 0.00 0.00 33.50 31.18 3dlk n PRO 217 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dlk n ASP 218 N 5.25 1.35 -0.53 2.55 3.85 -1.26 -4.41 116.55 123.35 3dlk n ASP 218 Ca 0.18 -2.01 -0.04 0.00 -0.71 0.00 0.00 54.79 52.21 3dlk n ASP 218 Cb 0.36 -0.33 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 3dlk n ASP 218 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3dlk n LYS 219 N -1.97 -1.67 -4.57 0.11 2.85 -1.26 -4.86 118.16 106.79 3dlk n LYS 219 Ca 0.11 0.36 -0.22 0.00 -1.05 0.00 0.00 58.31 57.51 3dlk n LYS 219 Cb 0.41 -4.08 -0.14 0.00 -0.65 0.00 0.00 35.03 30.57 3dlk n LYS 219 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3dlk s LYS 220 N -1.68 1.14 -0.23 -1.58 3.01 -1.26 -5.07 119.74 114.06 3dlk s LYS 220 Ca 0.00 -0.67 -0.03 0.00 -1.01 0.00 0.00 55.97 54.26 3dlk s LYS 220 Cb 0.00 -1.14 0.11 0.00 -1.01 0.00 0.00 37.83 35.79 3dlk s LYS 220 CO 0.00 0.30 0.28 -1.01 0.51 0.00 0.00 175.35 175.43 3dlk s HIS 221 N -0.59 -0.47 0.00 3.18 3.76 -1.26 -5.04 115.29 114.87 3dlk s HIS 221 Ca 0.05 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 3dlk s HIS 221 Cb -0.07 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.35 3dlk s HIS 221 CO 0.00 -0.70 0.33 1.04 -0.85 0.00 0.00 174.74 174.57 3dlk n GLN 222 N 5.33 0.00 -3.96 1.40 1.13 -1.26 -4.89 117.38 115.13 3dlk n GLN 222 Ca -0.04 0.33 0.03 0.00 -1.94 0.00 0.00 57.00 55.38 3dlk n GLN 222 Cb 0.49 -0.56 0.01 0.00 0.11 0.00 0.00 30.24 30.29 3dlk n GLN 222 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3dlk s LYS 223 N -1.99 0.31 0.88 -1.09 2.20 -1.26 -5.17 119.74 113.61 3dlk s LYS 223 Ca 0.00 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.29 3dlk s LYS 223 Cb 0.00 0.09 0.12 0.00 -1.51 0.00 0.00 37.83 36.53 3dlk s LYS 223 CO 0.00 -0.14 1.11 -1.83 -0.36 0.00 0.00 175.35 174.13 3dlk s GLU 224 N -2.05 1.40 0.20 4.03 -1.05 -1.26 -4.94 118.70 115.03 3dlk s GLU 224 Ca 0.28 0.49 -0.24 0.00 -0.15 0.00 0.00 54.97 55.36 3dlk s GLU 224 Cb 0.00 -1.85 -0.15 0.00 -0.44 0.00 0.00 34.13 31.69 3dlk s GLU 224 CO -0.02 -2.06 0.41 -2.30 0.95 0.00 0.00 175.26 172.24 3dlk n PRO 225 N -3.71 0.00 -1.96 -4.83 -0.02 -1.26 -4.68 135.00 118.54 3dlk n PRO 225 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.25 3dlk n PRO 225 Cb 0.58 -0.87 0.18 0.00 -0.02 0.00 0.00 33.50 33.37 3dlk n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dlk s PRO 226 N -0.87 0.67 -0.23 0.52 0.04 -1.26 -5.13 135.00 128.73 3dlk s PRO 226 Ca 0.55 -0.45 -0.09 0.00 0.04 0.00 0.00 61.00 61.05 3dlk s PRO 226 Cb -0.78 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 3dlk s PRO 226 CO 0.50 -2.39 0.13 -0.06 0.04 0.00 0.00 177.00 175.22 3dlk s PHE 227 N -3.86 3.27 -0.19 0.56 0.40 -0.73 -4.84 117.98 112.59 3dlk s PHE 227 Ca 0.74 0.11 -0.22 0.00 -0.60 0.00 0.00 56.93 56.96 3dlk s PHE 227 Cb -0.04 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 3dlk s PHE 227 CO 0.53 0.03 0.69 -0.51 0.70 0.00 0.00 175.22 176.66 3dlk s LEU 228 N 0.98 4.16 -0.07 -0.37 1.43 -1.26 -0.61 118.68 122.94 3dlk s LEU 228 Ca 0.06 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 3dlk s LEU 228 Cb -0.13 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.11 3dlk s LEU 228 CO 0.04 -0.31 -0.02 0.86 0.23 0.00 0.00 176.35 177.15 3dlk s TRP 229 N 1.96 0.80 -1.53 0.29 -0.00 0.16 -4.86 118.94 115.77 3dlk s TRP 229 Ca 0.32 -0.26 -0.09 0.00 -0.00 0.00 0.00 56.10 56.07 3dlk s TRP 229 Cb -0.16 -0.83 0.09 0.00 -0.00 0.00 0.00 33.47 32.57 3dlk s TRP 229 CO 0.11 -0.32 0.23 0.00 -0.00 0.00 0.00 176.95 176.97 3dlk n MET 230 N 4.87 -0.86 -0.18 5.86 0.00 -1.26 0.30 117.12 125.86 3dlk n MET 230 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.68 3dlk n MET 230 Cb 0.50 -3.66 0.00 0.00 0.00 0.00 0.00 33.22 30.06 3dlk n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dlk n GLY 231 N -1.83 1.21 3.85 3.17 0.00 -1.26 -5.05 105.19 105.27 3dlk n GLY 231 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3dlk n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dlk s TYR 232 N -2.67 3.48 -0.44 1.61 4.12 0.15 -4.70 117.35 118.91 3dlk s TYR 232 Ca 0.00 0.39 -0.16 0.00 0.02 0.00 0.00 57.07 57.32 3dlk s TYR 232 Cb 0.00 -1.86 0.04 0.00 -1.52 0.00 0.00 41.96 38.62 3dlk s TYR 232 CO 0.00 0.65 0.38 -1.21 0.02 0.00 0.00 175.55 175.39 3dlk s GLU 233 N -1.40 3.01 -0.28 -0.62 2.02 0.82 -0.66 118.70 121.59 3dlk s GLU 233 Ca 0.20 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.96 3dlk s GLU 233 Cb -0.12 -4.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 3dlk s GLU 233 CO 0.10 -0.89 0.42 -0.51 0.02 0.00 0.00 175.26 174.40 3dlk s LEU 234 N 1.82 4.10 0.39 1.80 1.43 0.22 -1.22 118.68 127.23 3dlk s LEU 234 Ca 0.07 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3dlk s LEU 234 Cb -0.20 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 3dlk s LEU 234 CO 0.10 -0.25 0.36 -1.00 0.23 0.00 0.00 176.35 175.78 3dlk s HIS 235 N 2.16 2.76 0.21 0.29 3.76 0.09 -1.77 115.29 122.79 3dlk s HIS 235 Ca 0.17 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.51 3dlk s HIS 235 Cb -0.16 -2.07 0.25 0.00 1.11 0.00 0.00 32.58 31.71 3dlk s HIS 235 CO 0.10 -0.04 1.64 -1.35 -0.85 0.00 0.00 174.74 174.24 3dlk h PRO 236 N 1.08 0.04 0.00 8.40 0.11 -1.97 -3.26 132.00 136.40 3dlk h PRO 236 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dlk h PRO 236 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dlk h PRO 236 CO 0.57 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3dlk n ASP 237 N -5.36 1.41 -3.64 -2.05 5.68 -1.26 -4.76 116.55 106.57 3dlk n ASP 237 Ca 0.08 -1.62 -0.11 0.00 -0.50 0.00 0.00 54.79 52.64 3dlk n ASP 237 Cb 0.33 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 3dlk n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3dlk s LYS 238 N -0.62 1.05 0.24 0.11 0.00 -1.23 -4.31 119.74 114.99 3dlk s LYS 238 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 55.97 55.38 3dlk s LYS 238 Cb 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 37.83 38.24 3dlk s LYS 238 CO 0.00 -0.41 -0.18 1.67 0.00 0.00 0.00 175.35 176.43 3dlk s TRP 239 N -3.72 2.08 -0.01 1.78 1.48 -0.30 -0.73 118.94 119.52 3dlk s TRP 239 Ca 0.02 -0.41 -0.09 0.00 -1.06 0.00 0.00 56.10 54.56 3dlk s TRP 239 Cb 0.02 -0.94 0.01 0.00 -1.16 0.00 0.00 33.47 31.40 3dlk s TRP 239 CO -0.11 0.57 0.19 0.99 -4.06 0.00 0.00 176.95 174.53 3dlk s THR 240 N -2.56 0.07 -0.13 0.66 2.01 -0.36 -2.04 115.64 113.29 3dlk s THR 240 Ca 0.26 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.72 3dlk s THR 240 Cb -0.04 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 72.03 3dlk s THR 240 CO 0.12 -0.30 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.92 3dlk s VAL 241 N -1.18 1.49 0.72 3.82 1.01 -0.44 -0.12 120.40 125.69 3dlk s VAL 241 Ca -0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3dlk s VAL 241 Cb -0.06 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3dlk s VAL 241 CO 0.02 0.44 1.08 -1.10 0.00 0.00 0.00 175.10 175.54 3dlk s GLN 242 N 1.38 2.67 0.24 2.72 -1.52 -1.26 -1.74 119.66 122.15 3dlk s GLN 242 Ca 0.02 1.11 -0.31 0.00 -1.95 0.00 0.00 55.36 54.22 3dlk s GLN 242 Cb -0.13 -1.95 -0.13 0.00 -0.22 0.00 0.00 33.01 30.57 3dlk s GLN 242 CO -0.08 -1.32 1.44 -2.30 -0.25 0.00 0.00 175.29 172.78 3dlk n PRO 243 N -3.13 2.11 -3.15 2.91 -0.02 -1.26 -4.85 135.00 127.61 3dlk n PRO 243 Ca 0.09 0.75 -0.39 0.00 -2.02 0.00 0.00 63.50 61.92 3dlk n PRO 243 Cb 0.53 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3dlk n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dlk s ILE 244 N -0.01 5.06 -0.36 4.25 -1.09 -0.05 -5.00 121.20 124.01 3dlk s ILE 244 Ca 0.68 1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 60.12 3dlk s ILE 244 Cb -0.63 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.31 3dlk s ILE 244 CO 0.49 0.18 0.35 -0.69 -1.23 0.00 0.00 174.94 174.04 3dlk s VAL 245 N 1.44 5.18 0.31 2.92 1.01 -1.26 -4.53 120.40 125.46 3dlk s VAL 245 Ca 0.29 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 3dlk s VAL 245 Cb -0.16 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 3dlk s VAL 245 CO 0.12 -0.15 0.69 -0.76 0.00 0.00 0.00 175.10 175.00 3dlk s LEU 246 N 1.97 4.08 0.43 3.92 1.02 -1.26 -5.02 118.68 123.81 3dlk s LEU 246 Ca 0.10 1.19 -0.26 0.00 0.02 0.00 0.00 54.13 55.19 3dlk s LEU 246 Cb -0.17 -3.99 -0.09 0.00 0.02 0.00 0.00 46.19 41.96 3dlk s LEU 246 CO 0.12 -0.18 1.39 -2.65 0.02 0.00 0.00 176.35 175.04 3dlk n PRO 247 N -0.36 2.21 -3.84 1.29 -0.02 -1.26 -4.98 135.00 128.04 3dlk n PRO 247 Ca 0.03 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 61.93 3dlk n PRO 247 Cb 0.53 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.32 3dlk n PRO 247 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3dlk s GLU 248 N -2.33 2.56 0.22 -0.52 2.12 -1.26 -5.09 118.70 114.40 3dlk s GLU 248 Ca 0.60 -1.20 -0.14 0.00 0.36 0.00 0.00 54.97 54.59 3dlk s GLU 248 Cb -0.47 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3dlk s GLU 248 CO 0.59 -0.62 0.48 -1.59 -0.54 0.00 0.00 175.26 173.58 3dlk s LYS 249 N 1.33 1.44 -0.01 4.30 -2.85 -1.26 -5.09 119.74 117.59 3dlk s LYS 249 Ca -0.03 -1.08 -0.02 0.00 -1.00 0.00 0.00 55.97 53.84 3dlk s LYS 249 Cb -0.19 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 3dlk s LYS 249 CO 0.01 -0.60 0.27 0.22 0.10 0.00 0.00 175.35 175.34 3dlk h ASP 250 N 2.26 -0.06 -3.40 0.03 -0.00 -2.06 -3.46 116.42 109.73 3dlk h ASP 250 Ca -0.27 0.00 -0.66 0.00 -0.00 0.00 0.00 57.03 56.10 3dlk h ASP 250 Cb 1.25 0.02 -0.20 0.00 -0.00 0.00 0.00 39.33 40.39 3dlk h ASP 250 CO 0.37 0.04 -0.67 -0.44 -0.00 0.00 0.00 179.24 178.54 3dlk s SER 251 N -3.32 4.76 -0.19 2.28 0.01 -1.26 -5.02 113.70 110.95 3dlk s SER 251 Ca -0.01 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.09 3dlk s SER 251 Cb 0.00 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 3dlk s SER 251 CO 0.03 0.24 0.08 0.26 0.41 0.00 0.00 173.24 174.26 3dlk s TRP 252 N -0.09 3.26 0.41 2.43 0.52 -1.26 -5.03 118.94 119.18 3dlk s TRP 252 Ca 0.02 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.23 3dlk s TRP 252 Cb -0.13 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.07 3dlk s TRP 252 CO 0.03 0.12 0.60 -0.08 0.02 0.00 0.00 176.95 177.64 3dlk s THR 253 N 0.52 4.07 -1.02 2.01 -1.32 -1.25 -0.58 115.64 118.07 3dlk s THR 253 Ca 0.04 -0.65 0.17 0.00 -1.21 0.00 0.00 61.69 60.04 3dlk s THR 253 Cb -0.13 -3.47 0.15 0.00 -1.51 0.00 0.00 72.50 67.54 3dlk s THR 253 CO 0.01 -0.28 1.55 0.55 -2.21 0.00 0.00 174.62 174.23 3dlk n VAL 254 N -1.93 0.81 -0.03 5.08 3.14 -1.06 -1.11 118.33 123.22 3dlk n VAL 254 Ca 0.01 0.20 -0.22 0.00 -2.96 0.00 0.00 64.34 61.37 3dlk n VAL 254 Cb 0.58 -0.91 -0.13 0.00 -1.06 0.00 0.00 33.84 32.32 3dlk n VAL 254 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3dlk n ASN 255 N -1.49 2.05 -0.19 6.55 2.85 -1.26 -2.83 115.26 120.94 3dlk n ASN 255 Ca 0.04 0.25 -0.01 0.00 -0.11 0.00 0.00 54.58 54.75 3dlk n ASN 255 Cb 0.20 -0.87 0.21 0.00 1.24 0.00 0.00 39.78 40.56 3dlk n ASN 255 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3dlk h ASP 256 N -0.23 0.85 0.04 1.20 3.32 -1.88 -2.39 116.42 117.32 3dlk h ASP 256 Ca -0.42 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 3dlk h ASP 256 Cb 1.83 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 3dlk h ASP 256 CO -0.01 0.70 -0.65 0.40 -1.72 0.00 0.00 179.24 177.96 3dlk h ILE 257 N 0.95 1.33 0.00 0.35 2.04 -1.25 -1.79 117.51 119.13 3dlk h ILE 257 Ca 0.24 -1.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.07 3dlk h ILE 257 Cb 0.06 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3dlk h ILE 257 CO -0.03 0.60 -0.41 1.56 0.00 0.00 0.00 178.15 179.87 3dlk h GLN 258 N 0.42 0.00 0.04 2.37 4.20 -1.34 -1.57 115.11 119.23 3dlk h GLN 258 Ca -0.02 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.46 3dlk h GLN 258 Cb 1.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3dlk h GLN 258 CO 0.12 0.41 -1.09 0.87 -0.67 0.00 0.00 178.83 178.47 3dlk h LYS 259 N 0.00 0.07 0.07 1.46 1.57 -1.36 -2.17 116.57 116.22 3dlk h LYS 259 Ca -0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3dlk h LYS 259 Cb 0.83 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3dlk h LYS 259 CO 0.05 1.05 -0.04 1.25 -0.57 0.00 0.00 179.45 181.19 3dlk h LEU 260 N 0.02 -0.08 -1.37 2.94 5.85 -1.04 -1.61 115.31 120.02 3dlk h LEU 260 Ca -0.05 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3dlk h LEU 260 Cb 1.83 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.86 3dlk h LEU 260 CO 0.15 0.22 0.32 0.58 -0.34 0.00 0.00 178.44 179.37 3dlk h VAL 261 N -0.40 1.16 -0.47 1.05 2.07 -1.36 0.13 116.25 118.43 3dlk h VAL 261 Ca -0.01 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 3dlk h VAL 261 Cb 0.34 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3dlk h VAL 261 CO 0.02 0.17 -0.12 1.23 0.02 0.00 0.00 177.57 178.89 3dlk h GLY 262 N 0.81 0.94 0.98 2.17 0.00 -1.22 0.61 103.07 107.35 3dlk h GLY 262 Ca 0.20 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 3dlk h GLY 262 CO -0.04 0.67 -0.39 1.70 0.00 0.00 0.00 176.54 178.48 3dlk h LYS 263 N 0.78 0.68 -0.61 4.80 1.63 -0.64 -2.44 116.57 120.77 3dlk h LYS 263 Ca 0.13 -0.42 -0.04 0.00 -0.85 0.00 0.00 60.65 59.47 3dlk h LYS 263 Cb 0.63 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 3dlk h LYS 263 CO 0.04 1.04 0.21 -0.07 -3.45 0.00 0.00 179.45 177.22 3dlk h LEU 264 N 0.39 0.83 -0.52 5.20 4.07 -0.86 0.18 115.31 124.60 3dlk h LEU 264 Ca 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 3dlk h LEU 264 Cb 0.99 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 3dlk h LEU 264 CO 0.09 0.77 0.23 0.78 -1.08 0.00 0.00 178.44 179.23 3dlk h ASN 265 N 0.88 0.70 -0.38 -0.43 2.35 -0.76 0.26 115.58 118.21 3dlk h ASN 265 Ca 0.20 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3dlk h ASN 265 Cb 0.22 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3dlk h ASN 265 CO -0.01 0.65 0.09 -0.25 -1.65 0.00 0.00 177.43 176.25 3dlk h TRP 266 N 0.70 0.64 0.00 1.19 7.01 -0.93 -2.93 115.95 121.63 3dlk h TRP 266 Ca 0.18 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 3dlk h TRP 266 Cb 0.15 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3dlk h TRP 266 CO -0.00 0.63 -0.12 0.00 -2.79 0.00 0.00 178.44 176.16 3dlk h ALA 267 N 0.93 1.01 -0.85 2.65 0.00 -0.30 -3.32 119.26 119.39 3dlk h ALA 267 Ca 0.12 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3dlk h ALA 267 Cb 0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3dlk h ALA 267 CO 0.00 0.15 0.42 0.77 0.00 0.00 0.00 179.25 180.59 3dlk h SER 268 N 0.00 0.49 0.36 0.00 0.02 -0.28 0.16 113.55 114.30 3dlk h SER 268 Ca -0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dlk h SER 268 Cb 0.66 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3dlk h SER 268 CO 0.02 0.19 -0.10 0.00 -1.14 0.00 0.00 176.83 175.79 3dlk n GLN 269 N -4.90 0.69 -0.14 3.45 10.64 -1.25 -4.00 117.38 121.88 3dlk n GLN 269 Ca 0.17 -0.23 -0.29 0.00 -1.83 0.00 0.00 57.00 54.83 3dlk n GLN 269 Cb 0.46 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.24 3dlk n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 3dlk n ILE 270 N -0.96 1.52 -3.71 -0.39 2.08 -0.30 -4.98 119.36 112.62 3dlk n ILE 270 Ca 0.15 -0.40 -0.30 0.00 0.56 0.00 0.00 62.75 62.75 3dlk n ILE 270 Cb 0.27 -1.84 -0.04 0.00 -0.75 0.00 0.00 39.64 37.29 3dlk n ILE 270 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3dlk s TYR 271 N -2.51 3.48 -0.01 1.39 1.51 0.41 -4.84 117.35 116.79 3dlk s TYR 271 Ca -0.38 0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 55.92 3dlk s TYR 271 Cb 0.14 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 3dlk s TYR 271 CO 0.50 0.44 0.57 -2.14 -1.11 0.00 0.00 175.55 173.80 3dlk s PRO 272 N -2.84 4.28 0.00 -1.71 0.02 -1.26 -4.31 135.00 129.17 3dlk s PRO 272 Ca 0.39 0.68 0.00 0.00 0.02 0.00 0.00 61.00 62.09 3dlk s PRO 272 Cb -0.12 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3dlk s PRO 272 CO 0.27 0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.73 3dlk n GLY 273 N 2.44 0.53 3.71 0.52 0.00 -1.26 -4.94 105.19 106.18 3dlk n GLY 273 Ca -0.08 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3dlk n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dlk s ILE 274 N -2.00 3.22 -0.13 -0.61 -1.09 -1.26 -4.91 121.20 114.41 3dlk s ILE 274 Ca 0.00 0.82 0.01 0.00 -2.23 0.00 0.00 60.65 59.26 3dlk s ILE 274 Cb 0.00 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 3dlk s ILE 274 CO 0.00 0.04 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.03 3dlk s LYS 275 N 1.52 3.18 0.00 2.79 1.02 -1.26 -4.97 119.74 122.01 3dlk s LYS 275 Ca 0.67 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3dlk s LYS 275 Cb -0.37 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 3dlk s LYS 275 CO 0.30 0.09 0.54 1.55 -0.92 0.00 0.00 175.35 176.91 3dlk n VAL 276 N 3.81 0.27 0.04 3.17 3.14 -1.26 -4.85 118.33 122.65 3dlk n VAL 276 Ca -0.19 -0.35 -0.11 0.00 -2.96 0.00 0.00 64.34 60.73 3dlk n VAL 276 Cb 0.52 1.07 -0.08 0.00 -1.06 0.00 0.00 33.84 34.29 3dlk n VAL 276 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3dlk h ARG 277 N 0.00 -0.18 -0.31 1.45 1.12 -1.93 -2.44 114.38 112.09 3dlk h ARG 277 Ca 0.00 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 58.94 3dlk h ARG 277 Cb 0.61 0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 30.55 3dlk h ARG 277 CO 0.00 0.29 -0.06 1.96 -3.11 0.00 0.00 179.97 179.05 3dlk h GLN 278 N -0.84 0.02 0.00 0.20 1.08 -1.94 0.05 115.11 113.68 3dlk h GLN 278 Ca -0.02 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3dlk h GLN 278 Cb 0.54 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3dlk h GLN 278 CO 0.03 0.01 -0.10 -0.07 -0.95 0.00 0.00 178.83 177.75 3dlk h LEU 279 N 0.02 0.00 -4.69 1.46 3.38 -1.87 -3.10 115.31 110.51 3dlk h LEU 279 Ca 0.15 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.43 3dlk h LEU 279 Cb 0.23 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.65 3dlk h LEU 279 CO -0.31 0.10 0.40 -1.20 0.09 0.00 0.00 178.44 177.52 3dlk n SER 280 N -3.69 6.55 -0.04 -0.43 7.64 -0.01 -4.10 113.62 119.54 3dlk n SER 280 Ca -0.02 -3.79 0.01 0.00 1.01 0.00 0.00 58.87 56.07 3dlk n SER 280 Cb 0.21 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 3dlk n SER 280 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dlk n LYS 281 N -0.57 2.25 -0.76 1.43 5.02 -1.12 -4.90 118.16 119.52 3dlk n LYS 281 Ca 0.50 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3dlk n LYS 281 Cb 0.44 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 3dlk n LYS 281 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dlk n LEU 282 N -0.37 0.00 -3.11 -0.35 4.77 -1.26 -4.97 117.00 111.71 3dlk n LEU 282 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3dlk n LEU 282 Cb 0.04 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3dlk n LEU 282 CO 0.02 -0.08 0.28 0.00 -1.33 0.00 0.00 177.39 176.28 3dlk n LEU 283 N 0.00 -6.50 0.03 2.23 -0.00 -1.26 -4.99 117.00 106.51 3dlk n LEU 283 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3dlk n LEU 283 Cb 0.00 -3.27 0.00 0.00 -0.00 0.00 0.00 43.42 40.15 3dlk n LEU 283 CO 0.00 -0.87 -0.19 0.54 -0.00 0.00 0.00 177.39 176.87 3dlk n ARG 284 N -2.06 0.00 -2.10 1.47 1.74 -1.26 -4.83 116.66 109.62 3dlk n ARG 284 Ca -0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 3dlk n ARG 284 Cb 0.53 -0.45 -0.05 0.00 -1.02 0.00 0.00 32.46 31.47 3dlk n ARG 284 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dlk s GLY 285 N -4.49 0.28 0.40 -0.13 0.00 -1.26 -4.91 107.32 97.20 3dlk s GLY 285 Ca 0.00 -1.92 -0.25 0.00 0.00 0.00 0.00 44.72 42.55 3dlk s GLY 285 CO 0.00 3.46 1.13 -1.59 0.00 0.00 0.00 173.10 176.10 3dlk s THR 286 N 10.12 3.35 -0.36 0.90 2.01 -1.26 -5.05 115.64 125.35 3dlk s THR 286 Ca 0.68 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.76 3dlk s THR 286 Cb -0.03 -3.61 0.19 0.00 0.01 0.00 0.00 72.50 69.06 3dlk s THR 286 CO 0.06 0.08 0.86 -0.75 -0.69 0.00 0.00 174.62 174.18 3dlk s LYS 287 N -2.33 0.45 0.06 4.92 2.36 -1.26 -5.13 119.74 118.81 3dlk s LYS 287 Ca 0.57 -0.10 -0.23 0.00 -2.55 0.00 0.00 55.97 53.66 3dlk s LYS 287 Cb -0.28 0.06 -0.06 0.00 -1.05 0.00 0.00 37.83 36.50 3dlk s LYS 287 CO 0.35 -0.66 0.68 0.00 1.55 0.00 0.00 175.35 177.26 3dlk s ALA 288 N 2.01 3.47 0.00 3.13 0.00 -1.26 -3.62 121.76 125.48 3dlk s ALA 288 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3dlk s ALA 288 Cb -0.01 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3dlk s ALA 288 CO -0.13 0.22 0.00 -0.11 0.00 0.00 0.00 175.76 175.74 3dlk n LEU 289 N 2.29 0.00 -2.77 0.00 7.94 -1.26 -4.91 117.00 118.28 3dlk n LEU 289 Ca -0.06 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.79 3dlk n LEU 289 Cb 0.50 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.46 3dlk n LEU 289 CO 0.45 0.00 0.12 0.41 -1.11 0.00 0.00 177.39 177.25 3dlk n THR 290 N -2.00 -0.02 -3.62 1.96 -1.04 -1.24 -5.07 114.28 103.24 3dlk n THR 290 Ca 0.00 -1.09 -0.03 0.00 -2.04 0.00 0.00 64.05 60.89 3dlk n THR 290 Cb 0.00 0.99 -0.06 0.00 -1.82 0.00 0.00 70.33 69.43 3dlk n THR 290 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dlk s GLU 291 N 0.84 0.47 -0.27 -2.82 0.41 -1.24 -4.82 118.70 111.27 3dlk s GLU 291 Ca 0.30 0.85 0.03 0.00 -0.41 0.00 0.00 54.97 55.75 3dlk s GLU 291 Cb 0.02 0.17 0.07 0.00 -1.78 0.00 0.00 34.13 32.60 3dlk s GLU 291 CO -0.07 -0.11 -0.09 0.08 -0.49 0.00 0.00 175.26 174.59 3dlk s VAL 292 N 1.60 2.15 -0.24 2.63 1.01 -1.26 -2.57 120.40 123.71 3dlk s VAL 292 Ca -0.09 -1.71 -0.07 0.00 0.00 0.00 0.00 61.98 60.12 3dlk s VAL 292 Cb -0.05 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3dlk s VAL 292 CO -0.17 -0.11 0.07 -0.63 0.00 0.00 0.00 175.10 174.26 3dlk s ILE 293 N 1.09 4.32 0.27 2.22 1.01 0.26 -4.98 121.20 125.39 3dlk s ILE 293 Ca -0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 3dlk s ILE 293 Cb -0.20 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.15 3dlk s ILE 293 CO -0.05 0.35 1.49 -2.84 0.00 0.00 0.00 174.94 173.89 3dlk s PRO 294 N 1.51 4.21 0.06 2.79 0.02 -1.26 -4.28 135.00 138.05 3dlk s PRO 294 Ca 0.06 2.41 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 3dlk s PRO 294 Cb -0.15 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 3dlk s PRO 294 CO 0.03 -0.49 1.04 -0.51 -0.33 0.00 0.00 177.00 176.74 3dlk s LEU 295 N -0.56 4.42 0.50 -5.54 1.02 -1.26 -5.02 118.68 112.23 3dlk s LEU 295 Ca 0.60 1.83 -0.19 0.00 0.02 0.00 0.00 54.13 56.39 3dlk s LEU 295 Cb -0.44 -3.58 -0.08 0.00 0.02 0.00 0.00 46.19 42.11 3dlk s LEU 295 CO 0.46 -0.26 1.03 0.28 0.02 0.00 0.00 176.35 177.88 3dlk s THR 296 N 0.62 3.90 0.33 5.49 -1.32 -1.26 -4.83 115.64 118.57 3dlk s THR 296 Ca 0.52 1.11 0.12 0.00 -1.21 0.00 0.00 61.69 62.23 3dlk s THR 296 Cb -0.25 -3.47 0.32 0.00 -1.51 0.00 0.00 72.50 67.60 3dlk s THR 296 CO 0.30 -0.32 1.69 -0.08 -2.21 0.00 0.00 174.62 174.00 3dlk h GLU 297 N 1.35 0.43 0.00 7.08 4.57 -2.00 0.39 114.58 126.41 3dlk h GLU 297 Ca -0.49 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.52 3dlk h GLU 297 Cb 1.21 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 3dlk h GLU 297 CO 0.59 0.29 -0.69 0.93 -1.18 0.00 0.00 179.01 178.95 3dlk h GLU 298 N 0.45 0.00 0.00 1.92 3.07 -1.99 -2.72 114.58 115.31 3dlk h GLU 298 Ca 0.69 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.48 3dlk h GLU 298 Cb 1.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 3dlk h GLU 298 CO -0.54 0.69 -0.34 0.00 -1.40 0.00 0.00 179.01 177.41 3dlk h ALA 299 N 1.31 0.98 0.23 3.43 0.00 -0.59 -2.24 119.26 122.38 3dlk h ALA 299 Ca -0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 3dlk h ALA 299 Cb 1.36 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 19.13 3dlk h ALA 299 CO 0.09 0.43 -1.37 0.93 0.00 0.00 0.00 179.25 179.33 3dlk h GLU 300 N 0.00 0.53 -0.47 0.00 4.39 -1.10 -2.40 114.58 115.54 3dlk h GLU 300 Ca -0.00 -0.87 -0.01 0.00 0.34 0.00 0.00 59.36 58.82 3dlk h GLU 300 Cb 0.89 0.32 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3dlk h GLU 300 CO 0.04 1.41 0.26 1.25 -1.16 0.00 0.00 179.01 180.82 3dlk h LEU 301 N 0.10 0.58 -0.94 1.33 5.85 -1.38 0.37 115.31 121.21 3dlk h LEU 301 Ca -0.24 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 3dlk h LEU 301 Cb 2.08 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 3dlk h LEU 301 CO 0.26 0.50 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.30 3dlk h GLU 302 N 0.61 0.12 -0.34 1.25 4.81 -1.50 -1.41 114.58 118.12 3dlk h GLU 302 Ca 0.16 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3dlk h GLU 302 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3dlk h GLU 302 CO -0.03 0.57 -0.07 1.25 -0.73 0.00 0.00 179.01 180.00 3dlk h LEU 303 N 0.10 0.65 -0.34 1.64 5.85 -0.87 -0.34 115.31 121.99 3dlk h LEU 303 Ca 0.00 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3dlk h LEU 303 Cb 0.88 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3dlk h LEU 303 CO 0.07 0.86 0.21 0.00 -0.34 0.00 0.00 178.44 179.23 3dlk h ALA 304 N 0.81 0.44 -0.46 1.25 0.00 -0.69 -0.82 119.26 119.79 3dlk h ALA 304 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dlk h ALA 304 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dlk h ALA 304 CO 0.03 -0.07 0.14 0.93 0.00 0.00 0.00 179.25 180.28 3dlk h GLU 305 N 0.45 0.73 -0.57 0.00 5.08 -1.16 -2.28 114.58 116.82 3dlk h GLU 305 Ca 0.12 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dlk h GLU 305 Cb 0.00 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3dlk h GLU 305 CO -0.02 0.70 0.36 -0.91 -1.00 0.00 0.00 179.01 178.14 3dlk h ASN 306 N 0.61 0.60 -0.60 1.42 2.35 -0.88 -2.14 115.58 116.94 3dlk h ASN 306 Ca 0.15 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 3dlk h ASN 306 Cb 0.28 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 3dlk h ASN 306 CO -0.00 0.42 0.28 -0.09 -1.65 0.00 0.00 177.43 176.39 3dlk h ARG 307 N 0.72 0.50 -0.66 0.81 2.43 -0.89 -0.46 114.38 116.83 3dlk h ARG 307 Ca 0.22 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3dlk h ARG 307 Cb -0.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3dlk h ARG 307 CO -0.08 0.33 0.16 1.49 -1.51 0.00 0.00 179.97 180.37 3dlk h GLU 308 N 0.52 1.05 -0.28 0.20 4.57 -0.98 -2.87 114.58 116.79 3dlk h GLU 308 Ca 0.29 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3dlk h GLU 308 Cb 0.26 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3dlk h GLU 308 CO -0.23 0.94 0.06 0.82 -1.18 0.00 0.00 179.01 179.42 3dlk h ILE 309 N 0.98 1.22 0.00 2.32 2.04 -0.77 -2.77 117.51 120.53 3dlk h ILE 309 Ca 0.21 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3dlk h ILE 309 Cb 0.36 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3dlk h ILE 309 CO 0.00 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.57 3dlk n LEU 310 N -4.68 0.00 -0.15 1.44 4.77 -0.24 -2.80 117.00 115.35 3dlk n LEU 310 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3dlk n LEU 310 Cb 0.19 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.66 3dlk n LEU 310 CO 0.37 0.00 0.64 1.17 -1.33 0.00 0.00 177.39 178.24 3dlk n LYS 311 N -0.76 0.57 -4.17 3.23 3.00 -1.04 -0.87 118.16 118.11 3dlk n LYS 311 Ca 0.07 -0.31 -0.31 0.00 -0.00 0.00 0.00 58.31 57.75 3dlk n LYS 311 Cb 0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.49 3dlk n LYS 311 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3dlk s GLU 312 N -2.65 2.74 0.67 1.64 2.56 -1.12 -4.79 118.70 117.76 3dlk s GLU 312 Ca 0.21 -0.70 -0.11 0.00 0.00 0.00 0.00 54.97 54.37 3dlk s GLU 312 Cb 0.19 -2.65 -0.01 0.00 2.00 0.00 0.00 34.13 33.66 3dlk s GLU 312 CO 0.56 0.59 1.06 -2.14 -0.56 0.00 0.00 175.26 174.77 3dlk s PRO 313 N -1.99 3.15 -0.07 4.30 0.02 -1.26 -4.41 135.00 134.74 3dlk s PRO 313 Ca 0.24 0.71 0.04 0.00 0.02 0.00 0.00 61.00 62.01 3dlk s PRO 313 Cb -0.12 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3dlk s PRO 313 CO 0.16 -0.88 -0.19 0.08 -0.33 0.00 0.00 177.00 175.83 3dlk s VAL 314 N -3.20 1.65 0.09 3.83 1.01 -0.71 -5.00 120.40 118.08 3dlk s VAL 314 Ca 0.57 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3dlk s VAL 314 Cb -0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3dlk s VAL 314 CO 0.54 0.47 -0.21 -1.00 0.00 0.00 0.00 175.10 174.90 3dlk s HIS 315 N 0.29 1.79 0.27 5.22 3.76 -1.26 -1.33 115.29 124.04 3dlk s HIS 315 Ca -0.12 -0.41 -0.21 0.00 -0.15 0.00 0.00 55.06 54.17 3dlk s HIS 315 Cb -0.15 -1.00 0.03 0.00 1.11 0.00 0.00 32.58 32.57 3dlk s HIS 315 CO 0.05 0.18 0.77 0.20 -0.85 0.00 0.00 174.74 175.10 3dlk s GLY 316 N -1.76 -0.06 0.47 -2.22 0.00 -0.86 -4.93 107.32 97.94 3dlk s GLY 316 Ca 0.07 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.57 3dlk s GLY 316 CO 0.04 -0.06 0.37 -1.34 0.00 0.00 0.00 173.10 172.11 3dlk s VAL 317 N -3.63 2.20 0.54 1.40 -7.23 -0.88 -1.15 120.40 111.66 3dlk s VAL 317 Ca 0.12 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 3dlk s VAL 317 Cb -0.05 -2.65 0.02 0.00 0.56 0.00 0.00 36.38 34.26 3dlk s VAL 317 CO 0.07 0.00 0.78 -0.31 -0.31 0.00 0.00 175.10 175.33 3dlk s TYR 318 N -2.61 3.01 0.05 2.82 1.51 -1.26 -4.56 117.35 116.31 3dlk s TYR 318 Ca 0.42 0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 56.37 3dlk s TYR 318 Cb -0.02 -2.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 3dlk s TYR 318 CO 0.25 -0.78 0.90 -0.47 -1.11 0.00 0.00 175.55 174.34 3dlk s TYR 319 N -2.78 3.74 -0.35 2.71 5.04 -0.77 -4.97 117.35 119.98 3dlk s TYR 319 Ca 0.55 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.84 3dlk s TYR 319 Cb -0.10 -3.00 0.09 0.00 0.35 0.00 0.00 41.96 39.30 3dlk s TYR 319 CO 0.40 0.16 0.08 0.34 -1.34 0.00 0.00 175.55 175.18 3dlk s ASP 320 N 0.31 4.93 0.18 4.32 -1.08 -1.26 -4.31 116.67 119.75 3dlk s ASP 320 Ca 0.46 -1.87 0.12 0.00 -0.52 0.00 0.00 52.55 50.73 3dlk s ASP 320 Cb -0.22 -1.71 0.63 0.00 -1.46 0.00 0.00 42.92 40.17 3dlk s ASP 320 CO 0.27 -0.39 1.35 -0.81 0.52 0.00 0.00 175.17 176.10 3dlk n PRO 321 N 4.46 0.08 0.00 4.34 -0.04 -1.26 -2.07 135.00 140.50 3dlk n PRO 321 Ca -0.03 0.57 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 3dlk n PRO 321 Cb 0.42 -1.76 0.54 0.00 -0.04 0.00 0.00 33.50 32.65 3dlk n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dlk n SER 322 N -1.91 0.36 -4.50 3.54 3.41 -1.26 -4.89 113.62 108.38 3dlk n SER 322 Ca -0.01 -0.24 -0.24 0.00 -0.26 0.00 0.00 58.87 58.12 3dlk n SER 322 Cb 0.03 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 3dlk n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dlk s LYS 323 N -2.72 1.74 0.67 4.33 1.02 -0.88 -5.13 119.74 118.78 3dlk s LYS 323 Ca 0.21 -1.80 -0.15 0.00 0.02 0.00 0.00 55.97 54.26 3dlk s LYS 323 Cb 0.19 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 3dlk s LYS 323 CO 0.54 0.28 1.13 -0.51 -0.92 0.00 0.00 175.35 175.86 3dlk s ASP 324 N -3.54 4.92 -0.19 2.83 1.01 -1.26 -4.94 116.67 115.49 3dlk s ASP 324 Ca 0.31 2.06 -0.08 0.00 0.71 0.00 0.00 52.55 55.55 3dlk s ASP 324 Cb -0.03 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3dlk s ASP 324 CO 0.16 -1.76 0.07 -0.22 0.21 0.00 0.00 175.17 173.63 3dlk s LEU 325 N -4.93 3.81 -0.05 1.23 2.96 -1.26 -4.45 118.68 115.97 3dlk s LEU 325 Ca 0.68 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 3dlk s LEU 325 Cb -0.22 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3dlk s LEU 325 CO 0.42 0.14 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.76 3dlk s ILE 326 N 0.55 1.76 -0.10 6.68 -1.09 0.19 -0.12 121.20 129.06 3dlk s ILE 326 Ca 0.04 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 3dlk s ILE 326 Cb -0.13 -1.50 0.01 0.00 -1.58 0.00 0.00 42.46 39.26 3dlk s ILE 326 CO 0.01 0.49 -0.19 0.00 -1.23 0.00 0.00 174.94 174.02 3dlk s ALA 327 N -0.01 1.88 -0.03 9.38 0.00 0.11 -0.79 121.76 132.29 3dlk s ALA 327 Ca -0.05 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.16 3dlk s ALA 327 Cb -0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3dlk s ALA 327 CO 0.03 0.10 -0.22 -2.00 0.00 0.00 0.00 175.76 173.67 3dlk s GLU 328 N 0.66 2.26 0.04 0.00 2.12 -0.33 -0.31 118.70 123.13 3dlk s GLU 328 Ca -0.13 -0.86 0.06 0.00 0.36 0.00 0.00 54.97 54.40 3dlk s GLU 328 Cb -0.16 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 3dlk s GLU 328 CO 0.03 0.57 -0.16 0.42 -0.54 0.00 0.00 175.26 175.57 3dlk s ILE 329 N -0.61 1.31 0.03 -3.70 1.01 -0.99 -1.22 121.20 117.03 3dlk s ILE 329 Ca 0.10 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3dlk s ILE 329 Cb -0.10 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3dlk s ILE 329 CO -0.00 0.11 -0.13 -1.10 0.00 0.00 0.00 174.94 173.82 3dlk s GLN 330 N -1.07 0.85 -0.17 2.79 1.11 0.40 -4.24 119.66 119.34 3dlk s GLN 330 Ca 0.04 -0.70 -0.22 0.00 0.01 0.00 0.00 55.36 54.49 3dlk s GLN 330 Cb -0.08 -0.83 -0.03 0.00 -1.01 0.00 0.00 33.01 31.06 3dlk s GLN 330 CO 0.01 0.20 0.66 0.21 0.01 0.00 0.00 175.29 176.39 3dlk s LYS 331 N -1.08 4.26 0.00 2.91 2.20 -1.26 -1.35 119.74 125.42 3dlk s LYS 331 Ca 0.00 0.70 0.17 0.00 -0.36 0.00 0.00 55.97 56.48 3dlk s LYS 331 Cb -0.08 -3.55 -0.16 0.00 -1.51 0.00 0.00 37.83 32.53 3dlk s LYS 331 CO 0.01 -0.19 0.75 1.04 -0.36 0.00 0.00 175.35 176.60 3dlk n GLN 332 N 4.83 1.40 0.00 4.03 1.13 0.08 -4.55 117.38 124.30 3dlk n GLN 332 Ca -0.01 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3dlk n GLN 332 Cb 0.50 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.54 3dlk n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dlk n GLY 333 N 1.38 0.36 2.78 1.08 0.00 -1.17 -4.87 105.19 104.75 3dlk n GLY 333 Ca 0.04 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 3dlk n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dlk n GLN 334 N 0.49 -3.72 -2.11 1.61 1.13 -1.26 -1.38 117.38 112.15 3dlk n GLN 334 Ca 0.00 0.95 -0.15 0.00 -1.94 0.00 0.00 57.00 55.86 3dlk n GLN 334 Cb 0.00 -5.73 -0.02 0.00 0.11 0.00 0.00 30.24 24.60 3dlk n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dlk n GLY 335 N -1.34 0.12 3.41 1.08 0.00 -1.26 -4.84 105.19 102.36 3dlk n GLY 335 Ca -0.16 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3dlk n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dlk s GLN 336 N -4.44 2.45 0.00 1.61 2.00 -0.48 -0.42 119.66 120.39 3dlk s GLN 336 Ca 0.00 -0.77 0.01 0.00 -2.00 0.00 0.00 55.36 52.60 3dlk s GLN 336 Cb 0.00 -2.29 -0.00 0.00 0.80 0.00 0.00 33.01 31.52 3dlk s GLN 336 CO 0.00 0.57 -0.04 -1.58 -0.50 0.00 0.00 175.29 173.74 3dlk s TRP 337 N -0.61 0.34 0.26 1.67 0.52 -0.34 -0.75 118.94 120.03 3dlk s TRP 337 Ca 0.09 -0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.21 3dlk s TRP 337 Cb -0.11 -0.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.95 3dlk s TRP 337 CO 0.01 -0.01 0.01 0.95 0.02 0.00 0.00 176.95 177.92 3dlk s THR 338 N -0.19 3.53 0.06 2.01 -4.23 -0.46 -0.07 115.64 116.29 3dlk s THR 338 Ca 0.00 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 3dlk s THR 338 Cb -0.02 -2.88 0.04 0.00 1.34 0.00 0.00 72.50 70.98 3dlk s THR 338 CO -0.00 -0.36 0.45 -0.72 -0.54 0.00 0.00 174.62 173.45 3dlk s TYR 339 N -2.27 -0.32 -0.01 3.99 -0.85 -1.01 -0.45 117.35 116.43 3dlk s TYR 339 Ca 0.31 0.27 0.02 0.00 -0.52 0.00 0.00 57.07 57.15 3dlk s TYR 339 Cb -0.07 0.27 0.00 0.00 0.38 0.00 0.00 41.96 42.55 3dlk s TYR 339 CO 0.20 -0.62 -0.06 -0.65 -1.52 0.00 0.00 175.55 172.91 3dlk s GLN 340 N -2.65 0.54 -0.11 -3.49 1.11 -0.36 -1.27 119.66 113.43 3dlk s GLN 340 Ca -0.04 -0.19 0.02 0.00 0.01 0.00 0.00 55.36 55.15 3dlk s GLN 340 Cb -0.00 -0.53 -0.01 0.00 -1.01 0.00 0.00 33.01 31.45 3dlk s GLN 340 CO -0.03 0.09 -0.16 0.42 0.01 0.00 0.00 175.29 175.61 3dlk s ILE 341 N 0.05 2.78 0.35 1.08 1.01 0.90 -1.19 121.20 126.19 3dlk s ILE 341 Ca -0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 3dlk s ILE 341 Cb -0.05 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.32 3dlk s ILE 341 CO -0.00 0.54 0.63 -0.72 0.00 0.00 0.00 174.94 175.38 3dlk s TYR 342 N 0.21 0.53 0.00 3.97 -0.85 0.03 -0.55 117.35 120.69 3dlk s TYR 342 Ca -0.10 -0.98 0.00 0.00 -0.52 0.00 0.00 57.07 55.47 3dlk s TYR 342 Cb -0.16 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.56 3dlk s TYR 342 CO 0.06 -1.32 0.00 1.04 -1.52 0.00 0.00 175.55 173.81 3dlk n GLN 343 N -0.53 0.67 -5.02 -3.49 6.02 -1.26 -0.64 117.38 113.13 3dlk n GLN 343 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.63 3dlk n GLN 343 Cb 0.61 -0.88 -0.16 0.00 1.02 0.00 0.00 30.24 30.83 3dlk n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dlk s GLU 344 N -1.77 3.11 0.14 -1.09 2.02 -1.26 -4.86 118.70 115.00 3dlk s GLU 344 Ca 0.00 -0.79 -0.34 0.00 0.02 0.00 0.00 54.97 53.86 3dlk s GLU 344 Cb 0.00 -2.43 -0.16 0.00 0.10 0.00 0.00 34.13 31.64 3dlk s GLU 344 CO 0.00 0.24 1.20 -0.35 0.02 0.00 0.00 175.26 176.37 3dlk n PRO 345 N 3.39 1.11 -0.92 0.39 -0.04 -1.26 -1.24 135.00 136.44 3dlk n PRO 345 Ca -0.18 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3dlk n PRO 345 Cb 0.53 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3dlk n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dlk n PHE 346 N 1.76 0.00 -3.77 0.54 3.01 -1.26 -4.93 117.46 112.81 3dlk n PHE 346 Ca 0.16 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.30 3dlk n PHE 346 Cb 0.23 -0.73 -0.10 0.00 -0.01 0.00 0.00 39.48 38.87 3dlk n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3dlk s LYS 347 N -0.65 2.79 0.16 -1.08 -0.14 -0.37 -5.08 119.74 115.37 3dlk s LYS 347 Ca 0.00 -3.18 -0.30 0.00 -1.36 0.00 0.00 55.97 51.13 3dlk s LYS 347 Cb 0.00 -3.68 -0.07 0.00 -1.68 0.00 0.00 37.83 32.40 3dlk s LYS 347 CO 0.00 -1.25 1.02 -0.80 -0.76 0.00 0.00 175.35 173.55 3dlk s ASN 348 N -0.58 7.43 -0.07 2.83 0.01 -1.26 -4.14 114.94 119.16 3dlk s ASN 348 Ca 0.24 1.94 -0.12 0.00 -0.71 0.00 0.00 52.86 54.22 3dlk s ASN 348 Cb -0.09 -2.60 -0.30 0.00 0.41 0.00 0.00 41.25 38.67 3dlk s ASN 348 CO -0.12 -0.09 0.62 -0.07 -1.51 0.00 0.00 177.10 175.93 3dlk h LEU 349 N 5.14 0.56 -7.09 0.60 3.38 -1.09 -2.33 115.31 114.48 3dlk h LEU 349 Ca -0.44 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 56.56 3dlk h LEU 349 Cb 1.21 -0.18 -0.23 0.00 0.09 0.00 0.00 40.66 41.55 3dlk h LEU 349 CO 0.71 1.76 -0.06 -0.75 0.09 0.00 0.00 178.44 180.19 3dlk s LYS 350 N -2.55 0.64 -0.03 1.13 2.20 -1.07 -4.62 119.74 115.42 3dlk s LYS 350 Ca -0.17 0.99 0.05 0.00 -0.36 0.00 0.00 55.97 56.47 3dlk s LYS 350 Cb 0.05 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 3dlk s LYS 350 CO 0.83 -0.13 -0.17 0.95 -0.36 0.00 0.00 175.35 176.47 3dlk s THR 351 N 1.10 1.43 0.00 3.43 -4.23 -1.26 -0.07 115.64 116.04 3dlk s THR 351 Ca -0.06 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3dlk s THR 351 Cb -0.06 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.57 3dlk s THR 351 CO -0.11 0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 3dlk n GLY 352 N 2.99 3.85 3.17 3.99 0.00 -0.40 -4.55 105.19 114.23 3dlk n GLY 352 Ca -0.17 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 3dlk n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dlk s LYS 353 N -0.62 0.42 -0.08 1.61 2.20 -1.26 -2.40 119.74 119.60 3dlk s LYS 353 Ca 0.00 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 3dlk s LYS 353 Cb 0.00 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3dlk s LYS 353 CO 0.00 -0.08 -0.16 -0.47 -0.36 0.00 0.00 175.35 174.27 3dlk s TYR 354 N -0.43 1.88 -0.01 4.03 5.04 0.90 -4.67 117.35 124.08 3dlk s TYR 354 Ca -0.05 -0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 53.80 3dlk s TYR 354 Cb -0.04 -1.32 -0.04 0.00 0.35 0.00 0.00 41.96 40.91 3dlk s TYR 354 CO 0.01 -0.35 0.12 0.00 -1.34 0.00 0.00 175.55 173.99 3dlk s ALA 355 N 0.62 3.74 0.27 3.97 0.00 -1.26 -1.20 121.76 127.90 3dlk s ALA 355 Ca -0.15 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 3dlk s ALA 355 Cb -0.16 -1.72 -0.12 0.00 0.00 0.00 0.00 23.12 21.12 3dlk s ALA 355 CO 0.04 0.71 1.63 -2.13 0.00 0.00 0.00 175.76 176.01 3dlk n ARG 356 N 1.15 2.72 -2.20 0.00 0.00 0.44 -4.96 116.66 113.82 3dlk n ARG 356 Ca -0.13 0.97 -0.41 0.00 -0.00 0.00 0.00 57.85 58.29 3dlk n ARG 356 Cb 0.53 -2.77 -0.03 0.00 0.00 0.00 0.00 32.46 30.19 3dlk n ARG 356 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3dlk s MET 357 N -0.14 4.42 0.57 -0.14 -1.94 -1.26 -4.96 119.30 115.85 3dlk s MET 357 Ca 0.66 2.12 -0.20 0.00 -1.71 0.00 0.00 55.69 56.57 3dlk s MET 357 Cb -0.50 -3.10 -0.06 0.00 2.01 0.00 0.00 34.83 33.19 3dlk s MET 357 CO 0.45 -0.10 1.03 0.54 -0.01 0.00 0.00 175.02 176.93 3dlk n ARG 358 N 0.89 1.08 0.00 2.03 1.74 -1.26 -4.98 116.66 116.16 3dlk n ARG 358 Ca -0.00 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3dlk n ARG 358 Cb 0.42 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 3dlk n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dlk n GLY 359 N 1.19 2.86 0.07 -0.13 0.00 -1.26 -5.05 105.19 102.87 3dlk n GLY 359 Ca 0.13 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 3dlk n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlk h ALA 360 N 0.00 -0.05 -2.35 4.61 0.00 -1.97 -3.45 119.26 116.04 3dlk h ALA 360 Ca 0.00 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 3dlk h ALA 360 Cb 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 3dlk h ALA 360 CO 0.00 -0.43 -0.72 -1.01 0.00 0.00 0.00 179.25 177.09 3dlk s HIS 361 N -5.38 2.48 0.15 0.00 3.76 -1.26 -0.50 115.29 114.54 3dlk s HIS 361 Ca -0.14 -0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.25 3dlk s HIS 361 Cb 0.04 -1.10 0.08 0.00 1.11 0.00 0.00 32.58 32.70 3dlk s HIS 361 CO 0.66 0.65 1.06 -0.08 -0.85 0.00 0.00 174.74 176.18 3dlk s THR 362 N -2.31 0.00 0.05 1.30 -1.32 -0.83 -5.01 115.64 107.52 3dlk s THR 362 Ca 0.29 -0.54 -0.21 0.00 -1.21 0.00 0.00 61.69 60.03 3dlk s THR 362 Cb -0.06 -2.65 0.05 0.00 -1.51 0.00 0.00 72.50 68.33 3dlk s THR 362 CO 0.17 0.00 0.48 0.54 -2.21 0.00 0.00 174.62 173.60 3dlk s ASN 363 N -3.32 -0.39 0.35 8.08 2.20 -1.26 -0.47 114.94 120.13 3dlk s ASN 363 Ca 0.20 0.11 0.06 0.00 -0.94 0.00 0.00 52.86 52.29 3dlk s ASN 363 Cb -0.02 0.47 0.73 0.00 -2.00 0.00 0.00 41.25 40.44 3dlk s ASN 363 CO 0.03 -0.71 1.92 0.44 -2.94 0.00 0.00 177.10 175.84 3dlk h ASP 364 N 2.84 0.70 -0.51 3.54 3.32 -1.94 -2.38 116.42 122.00 3dlk h ASP 364 Ca -0.31 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 3dlk h ASP 364 Cb 1.21 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3dlk h ASP 364 CO 0.42 0.42 0.09 0.58 -1.72 0.00 0.00 179.24 179.03 3dlk h VAL 365 N 0.78 1.25 -0.64 -1.35 2.07 -1.97 0.14 116.25 116.53 3dlk h VAL 365 Ca 0.38 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3dlk h VAL 365 Cb 0.42 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3dlk h VAL 365 CO -0.15 0.33 0.27 0.11 0.02 0.00 0.00 177.57 178.15 3dlk h LYS 366 N 0.71 0.95 -0.52 1.57 1.57 -1.89 -1.45 116.57 117.52 3dlk h LYS 366 Ca 0.15 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3dlk h LYS 366 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3dlk h LYS 366 CO 0.01 0.79 0.05 1.96 -0.57 0.00 0.00 179.45 181.69 3dlk h GLN 367 N 0.89 0.88 -0.87 3.15 4.20 -1.23 -1.30 115.11 120.83 3dlk h GLN 367 Ca 0.21 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3dlk h GLN 367 Cb 0.18 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3dlk h GLN 367 CO -0.02 0.89 0.46 1.25 -0.67 0.00 0.00 178.83 180.74 3dlk h LEU 368 N 0.76 1.11 -0.64 1.46 5.85 -0.77 -1.03 115.31 122.05 3dlk h LEU 368 Ca 0.15 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3dlk h LEU 368 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3dlk h LEU 368 CO 0.02 0.90 0.26 0.74 -0.34 0.00 0.00 178.44 180.01 3dlk h THR 369 N 1.23 1.23 -0.68 1.05 2.02 -1.01 -1.05 112.91 115.70 3dlk h THR 369 Ca 0.31 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 3dlk h THR 369 Cb 0.05 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3dlk h THR 369 CO -0.05 0.29 0.24 -0.33 0.37 0.00 0.00 175.52 176.05 3dlk h GLU 370 N 0.90 1.04 -0.60 6.66 5.08 -0.74 -1.93 114.58 124.98 3dlk h GLU 370 Ca 0.21 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3dlk h GLU 370 Cb 0.20 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3dlk h GLU 370 CO -0.02 0.88 0.28 0.00 -1.00 0.00 0.00 179.01 179.15 3dlk h ALA 371 N 1.11 0.78 -0.83 3.43 0.00 -0.90 -1.56 119.26 121.28 3dlk h ALA 371 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dlk h ALA 371 Cb 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3dlk h ALA 371 CO -0.01 0.36 0.50 0.28 0.00 0.00 0.00 179.25 180.37 3dlk h VAL 372 N 0.83 1.23 -0.49 0.00 2.07 -0.87 -0.94 116.25 118.08 3dlk h VAL 372 Ca 0.21 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3dlk h VAL 372 Cb 0.14 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3dlk h VAL 372 CO -0.02 0.25 -0.04 1.56 0.02 0.00 0.00 177.57 179.33 3dlk h GLN 373 N 1.15 0.89 -0.24 1.57 1.08 -1.02 -0.31 115.11 118.22 3dlk h GLN 373 Ca 0.30 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3dlk h GLN 373 Cb -0.03 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3dlk h GLN 373 CO -0.05 0.95 0.13 -0.22 -0.95 0.00 0.00 178.83 178.68 3dlk h LYS 374 N 0.75 0.34 -0.77 1.46 1.63 -1.04 -1.04 116.57 117.90 3dlk h LYS 374 Ca 0.13 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3dlk h LYS 374 Cb 0.57 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 3dlk h LYS 374 CO 0.03 0.32 0.30 0.82 -3.45 0.00 0.00 179.45 177.48 3dlk h ILE 375 N 0.28 1.26 0.04 2.00 2.04 -1.04 -1.31 117.51 120.77 3dlk h ILE 375 Ca 0.09 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3dlk h ILE 375 Cb 0.08 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3dlk h ILE 375 CO -0.01 0.33 -0.06 0.74 0.00 0.00 0.00 178.15 179.15 3dlk h THR 376 N 1.12 0.85 -0.47 -0.27 2.02 -0.76 -0.27 112.91 115.13 3dlk h THR 376 Ca 0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 3dlk h THR 376 Cb 0.22 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3dlk h THR 376 CO -0.02 0.00 0.16 0.74 0.37 0.00 0.00 175.52 176.77 3dlk h THR 377 N -0.13 1.22 -0.41 3.16 2.02 -1.01 -0.85 112.91 116.91 3dlk h THR 377 Ca 0.01 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3dlk h THR 377 Cb 0.13 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3dlk h THR 377 CO -0.03 0.26 0.15 -0.33 0.37 0.00 0.00 175.52 175.93 3dlk h GLU 378 N 0.62 0.58 -0.15 6.66 5.08 -1.07 -1.61 114.58 124.68 3dlk h GLU 378 Ca 0.15 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 3dlk h GLU 378 Cb 0.24 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dlk h GLU 378 CO -0.01 0.49 -0.67 0.77 -1.00 0.00 0.00 179.01 178.60 3dlk h SER 379 N 0.58 0.68 -0.36 1.42 0.02 -0.70 -2.31 113.55 112.88 3dlk h SER 379 Ca 0.14 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 3dlk h SER 379 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3dlk h SER 379 CO -0.01 1.16 -0.10 0.40 -1.14 0.00 0.00 176.83 177.14 3dlk h ILE 380 N 0.42 1.26 0.12 3.27 2.04 -0.72 0.12 117.51 124.02 3dlk h ILE 380 Ca -0.02 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3dlk h ILE 380 Cb 1.25 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3dlk h ILE 380 CO 0.13 0.40 -0.06 0.58 0.00 0.00 0.00 178.15 179.20 3dlk h VAL 381 N 0.72 0.96 -0.01 1.67 2.07 -1.20 -0.61 116.25 119.86 3dlk h VAL 381 Ca 0.12 -0.31 -0.22 0.00 0.82 0.00 0.00 66.70 67.11 3dlk h VAL 381 Cb 0.58 1.17 0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3dlk h VAL 381 CO 0.04 0.08 -0.86 0.40 0.02 0.00 0.00 177.57 177.25 3dlk h ILE 382 N -0.30 1.33 0.00 4.57 2.04 -1.31 -3.39 117.51 120.45 3dlk h ILE 382 Ca -0.02 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.69 3dlk h ILE 382 Cb 0.25 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3dlk h ILE 382 CO 0.03 0.65 -0.29 0.79 0.00 0.00 0.00 178.15 179.33 3dlk n TRP 383 N -4.00 0.00 -1.01 1.37 8.01 0.41 -4.71 117.44 117.51 3dlk n TRP 383 Ca -0.10 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.08 3dlk n TRP 383 Cb 0.79 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 30.08 3dlk n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dlk n GLY 384 N 1.18 0.45 3.42 6.99 0.00 -0.23 -4.99 105.19 112.00 3dlk n GLY 384 Ca 0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 3dlk n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dlk s LYS 385 N -1.24 1.24 -0.00 1.61 -2.85 -1.25 -4.93 119.74 112.32 3dlk s LYS 385 Ca 0.00 -0.73 -0.20 0.00 -1.00 0.00 0.00 55.97 54.04 3dlk s LYS 385 Cb 0.00 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 3dlk s LYS 385 CO 0.00 -0.51 0.58 0.99 0.10 0.00 0.00 175.35 176.51 3dlk s THR 386 N -3.82 4.91 0.63 3.79 2.01 -1.26 -3.55 115.64 118.35 3dlk s THR 386 Ca 0.05 1.22 -0.08 0.00 0.31 0.00 0.00 61.69 63.19 3dlk s THR 386 Cb 0.00 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3dlk s THR 386 CO -0.08 0.43 0.97 -2.16 -0.69 0.00 0.00 174.62 173.09 3dlk s PRO 387 N -0.24 2.96 0.06 4.92 0.04 -1.26 -4.86 135.00 136.62 3dlk s PRO 387 Ca 0.30 0.21 -0.22 0.00 0.04 0.00 0.00 61.00 61.34 3dlk s PRO 387 Cb -0.18 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 3dlk s PRO 387 CO 0.17 -0.79 0.64 0.15 0.04 0.00 0.00 177.00 177.21 3dlk s LYS 388 N -5.12 4.34 -0.02 4.56 1.02 0.82 -4.82 119.74 120.52 3dlk s LYS 388 Ca 0.55 0.85 -0.03 0.00 0.02 0.00 0.00 55.97 57.37 3dlk s LYS 388 Cb -0.11 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3dlk s LYS 388 CO 0.48 0.48 0.15 -0.06 -0.92 0.00 0.00 175.35 175.48 3dlk s PHE 389 N -0.63 3.49 -0.26 3.18 0.40 -0.99 0.06 117.98 123.23 3dlk s PHE 389 Ca 0.32 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.01 3dlk s PHE 389 Cb -0.20 -1.82 0.05 0.00 0.51 0.00 0.00 43.02 41.57 3dlk s PHE 389 CO 0.20 0.63 -0.10 0.15 0.70 0.00 0.00 175.22 176.80 3dlk s LYS 390 N -1.79 2.39 0.05 0.44 -0.14 0.58 -0.29 119.74 120.97 3dlk s LYS 390 Ca 0.25 -1.26 0.09 0.00 -1.36 0.00 0.00 55.97 53.69 3dlk s LYS 390 Cb -0.12 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 3dlk s LYS 390 CO 0.16 -0.53 -0.25 -0.51 -0.76 0.00 0.00 175.35 173.46 3dlk s LEU 391 N 1.16 2.27 -0.62 3.17 1.43 -0.14 -2.35 118.68 123.59 3dlk s LEU 391 Ca -0.06 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 3dlk s LEU 391 Cb -0.19 -1.33 -0.11 0.00 0.03 0.00 0.00 46.19 44.59 3dlk s LEU 391 CO -0.05 0.25 3.15 -0.81 0.23 0.00 0.00 176.35 179.12 3dlk n PRO 392 N 1.65 2.78 -3.76 1.29 -0.04 -1.26 -0.84 135.00 134.83 3dlk n PRO 392 Ca -0.17 -1.85 -0.13 0.00 -0.04 0.00 0.00 63.50 61.32 3dlk n PRO 392 Cb 0.52 -2.29 -0.13 0.00 -0.04 0.00 0.00 33.50 31.56 3dlk n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dlk s ILE 393 N 0.32 -0.03 0.41 0.52 2.07 -1.26 -0.50 121.20 122.73 3dlk s ILE 393 Ca 0.64 0.10 -0.26 0.00 -1.41 0.00 0.00 60.65 59.73 3dlk s ILE 393 Cb 0.29 -0.30 -0.08 0.00 0.13 0.00 0.00 42.46 42.49 3dlk s ILE 393 CO -0.07 0.04 1.24 -1.10 -1.91 0.00 0.00 174.94 173.14 3dlk s GLN 394 N 0.79 3.99 0.34 3.50 -1.52 -1.26 -4.58 119.66 120.91 3dlk s GLN 394 Ca -0.06 2.01 0.05 0.00 -1.95 0.00 0.00 55.36 55.42 3dlk s GLN 394 Cb -0.07 -2.71 0.70 0.00 -0.22 0.00 0.00 33.01 30.71 3dlk s GLN 394 CO -0.04 -0.43 1.89 0.87 -0.25 0.00 0.00 175.29 177.33 3dlk h LYS 395 N 2.64 0.80 -0.43 2.91 1.79 -1.99 -1.28 116.57 121.00 3dlk h LYS 395 Ca -0.49 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 57.81 3dlk h LYS 395 Cb 1.24 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 3dlk h LYS 395 CO 0.62 0.53 -0.20 0.93 -1.08 0.00 0.00 179.45 180.25 3dlk h GLU 396 N 0.82 0.86 -0.12 3.15 5.08 -1.99 -1.52 114.58 120.85 3dlk h GLU 396 Ca 0.41 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3dlk h GLU 396 Cb 0.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3dlk h GLU 396 CO -0.18 0.98 0.05 1.15 -1.00 0.00 0.00 179.01 180.01 3dlk h THR 397 N 0.75 1.15 -0.64 1.13 2.02 -1.65 -1.69 112.91 113.98 3dlk h THR 397 Ca 0.11 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.86 3dlk h THR 397 Cb 0.73 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3dlk h THR 397 CO 0.06 0.14 0.40 -0.25 0.37 0.00 0.00 175.52 176.23 3dlk h TRP 398 N 0.03 0.74 -0.43 3.16 2.91 -1.18 -0.67 115.95 120.52 3dlk h TRP 398 Ca 0.04 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.09 3dlk h TRP 398 Cb 0.17 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 3dlk h TRP 398 CO -0.01 0.42 0.27 1.49 -1.03 0.00 0.00 178.44 179.57 3dlk h GLU 399 N 0.78 0.53 -0.75 2.65 4.81 -1.09 -1.70 114.58 119.81 3dlk h GLU 399 Ca 0.26 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3dlk h GLU 399 Cb 0.03 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3dlk h GLU 399 CO -0.11 0.35 0.41 1.15 -0.73 0.00 0.00 179.01 180.08 3dlk h THR 400 N 0.54 1.23 0.59 0.32 2.02 -0.93 -2.72 112.91 113.96 3dlk h THR 400 Ca 0.16 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3dlk h THR 400 Cb -0.02 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3dlk h THR 400 CO -0.06 0.25 -0.29 -0.25 0.37 0.00 0.00 175.52 175.54 3dlk h TRP 401 N 1.03 -0.75 0.00 3.16 2.91 -0.44 -2.88 115.95 118.98 3dlk h TRP 401 Ca 0.26 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.22 3dlk h TRP 401 Cb 0.03 0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 3dlk h TRP 401 CO -0.00 -0.46 -0.24 0.11 -1.03 0.00 0.00 178.44 176.82 3dlk h TRP 402 N -0.80 0.00 0.00 2.65 5.08 -1.41 0.15 115.95 121.62 3dlk h TRP 402 Ca -0.08 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.79 3dlk h TRP 402 Cb 0.62 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.76 3dlk h TRP 402 CO 0.08 0.24 -0.46 1.79 -1.28 0.00 0.00 178.44 178.81 3dlk h THR 403 N 0.00 1.00 0.00 0.12 1.35 -1.55 -3.30 112.91 110.53 3dlk h THR 403 Ca -0.00 -1.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.05 3dlk h THR 403 Cb 0.44 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3dlk h THR 403 CO 0.03 0.45 -1.98 -0.62 -0.25 0.00 0.00 175.52 173.15 3dlk n GLU 404 N -3.52 0.64 -2.02 4.72 -0.58 -0.96 -4.98 120.64 113.95 3dlk n GLU 404 Ca -0.00 -0.19 -0.41 0.00 -0.42 0.00 0.00 57.16 56.14 3dlk n GLU 404 Cb 0.58 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.92 3dlk n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3dlk s TYR 405 N -3.45 2.94 0.04 -0.32 5.04 0.00 -4.91 117.35 116.70 3dlk s TYR 405 Ca -0.08 1.25 0.33 0.00 -2.44 0.00 0.00 57.07 56.13 3dlk s TYR 405 Cb 0.13 -3.79 1.44 0.00 0.35 0.00 0.00 41.96 40.10 3dlk s TYR 405 CO 0.88 -2.32 1.97 0.11 -1.34 0.00 0.00 175.55 174.85 3dlk h TRP 406 N 3.76 0.00 -2.25 4.97 5.08 -1.91 -3.44 115.95 122.17 3dlk h TRP 406 Ca -0.48 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.00 3dlk h TRP 406 Cb 1.23 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.36 3dlk h TRP 406 CO 0.56 0.00 -0.47 -0.65 -1.28 0.00 0.00 178.44 176.61 3dlk s GLN 407 N -3.66 3.28 0.24 0.12 -0.21 -1.26 -5.08 119.66 113.08 3dlk s GLN 407 Ca 0.01 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.26 3dlk s GLN 407 Cb 0.09 -2.80 -0.09 0.00 1.00 0.00 0.00 33.01 31.22 3dlk s GLN 407 CO 0.47 0.43 0.98 0.00 -2.12 0.00 0.00 175.29 175.05 3dlk s ALA 408 N -1.99 3.35 0.08 6.09 0.00 -1.26 -5.03 121.76 123.00 3dlk s ALA 408 Ca 0.34 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 3dlk s ALA 408 Cb -0.09 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.81 3dlk s ALA 408 CO 0.28 0.10 0.37 -0.08 0.00 0.00 0.00 175.76 176.42 3dlk s THR 409 N -1.06 0.07 -0.06 0.00 -1.32 -1.26 -5.17 115.64 106.84 3dlk s THR 409 Ca 0.42 -0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 3dlk s THR 409 Cb -0.27 -1.06 0.09 0.00 -1.51 0.00 0.00 72.50 69.74 3dlk s THR 409 CO 0.34 -0.33 0.77 0.86 -2.21 0.00 0.00 174.62 174.05 3dlk s TRP 410 N -3.09 -0.56 -0.04 9.09 -0.00 -1.26 -5.01 118.94 118.06 3dlk s TRP 410 Ca -0.01 0.90 0.02 0.00 -0.00 0.00 0.00 56.10 57.01 3dlk s TRP 410 Cb 0.01 0.44 0.01 0.00 -0.00 0.00 0.00 33.47 33.92 3dlk s TRP 410 CO -0.07 -0.55 -0.09 0.42 -0.00 0.00 0.00 176.95 176.66 3dlk s ILE 411 N -1.44 0.80 1.12 5.86 -1.09 -1.26 -5.05 121.20 120.13 3dlk s ILE 411 Ca -0.07 -0.32 -0.14 0.00 -2.23 0.00 0.00 60.65 57.88 3dlk s ILE 411 Cb -0.00 -0.74 0.25 0.00 -1.58 0.00 0.00 42.46 40.39 3dlk s ILE 411 CO 0.05 0.26 1.07 -2.16 -1.23 0.00 0.00 174.94 172.93 3dlk s PRO 412 N 0.48 -0.52 -0.34 2.79 0.04 -1.26 -4.83 135.00 131.36 3dlk s PRO 412 Ca -0.08 0.43 -0.38 0.00 0.04 0.00 0.00 61.00 61.01 3dlk s PRO 412 Cb -0.12 -1.63 -0.17 0.00 0.04 0.00 0.00 34.50 32.62 3dlk s PRO 412 CO 0.01 -3.35 1.26 -1.91 0.04 0.00 0.00 177.00 173.05 3dlk n GLU 413 N -4.60 0.00 -3.89 4.56 2.13 -1.26 -4.82 120.64 112.76 3dlk n GLU 413 Ca 0.06 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.79 3dlk n GLU 413 Cb 0.57 -1.26 -0.05 0.00 0.27 0.00 0.00 31.44 30.96 3dlk n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3dlk s TRP 414 N 2.01 0.21 0.02 4.31 1.48 -1.26 -2.35 118.94 123.36 3dlk s TRP 414 Ca 0.86 -0.56 0.01 0.00 -1.06 0.00 0.00 56.10 55.35 3dlk s TRP 414 Cb -1.22 0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 31.23 3dlk s TRP 414 CO 0.65 -0.86 -0.06 -1.21 -4.06 0.00 0.00 176.95 171.41 3dlk s GLU 415 N -3.95 0.41 0.24 3.25 2.02 0.60 -4.96 118.70 116.32 3dlk s GLU 415 Ca 0.16 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 3dlk s GLU 415 Cb 0.01 -0.21 -0.09 0.00 0.10 0.00 0.00 34.13 33.93 3dlk s GLU 415 CO 0.01 0.04 1.27 0.12 0.02 0.00 0.00 175.26 176.72 3dlk s PHE 416 N -0.97 3.26 -0.09 1.61 5.36 -1.26 -0.97 117.98 124.93 3dlk s PHE 416 Ca -0.07 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.28 3dlk s PHE 416 Cb -0.07 -3.56 0.01 0.00 -0.34 0.00 0.00 43.02 39.06 3dlk s PHE 416 CO -0.00 -1.62 -0.14 0.54 -1.46 0.00 0.00 175.22 172.54 3dlk s VAL 417 N -0.42 1.33 -1.19 3.12 0.11 -0.02 -4.80 120.40 118.54 3dlk s VAL 417 Ca 0.52 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.86 3dlk s VAL 417 Cb -0.36 -1.22 0.15 0.00 -1.53 0.00 0.00 36.38 33.42 3dlk s VAL 417 CO 0.42 0.40 1.44 0.21 -3.33 0.00 0.00 175.10 174.25 3dlk s ASN 418 N 0.81 6.99 -0.35 3.54 3.84 -1.26 -4.02 114.94 124.49 3dlk s ASN 418 Ca -0.11 -2.81 0.01 0.00 0.21 0.00 0.00 52.86 50.16 3dlk s ASN 418 Cb -0.16 -2.42 0.11 0.00 -0.55 0.00 0.00 41.25 38.23 3dlk s ASN 418 CO 0.02 -0.84 0.12 0.42 -2.79 0.00 0.00 177.10 174.02 3dlk s THR 419 N 2.06 1.39 0.72 -5.21 -4.23 -1.26 -5.12 115.64 103.99 3dlk s THR 419 Ca 0.43 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.86 3dlk s THR 419 Cb -0.02 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.79 3dlk s THR 419 CO -0.00 -0.70 0.90 -2.65 -0.54 0.00 0.00 174.62 171.63 3dlk n PRO 420 N 4.40 0.47 -2.47 3.99 -0.02 -1.26 -4.39 135.00 135.73 3dlk n PRO 420 Ca 0.02 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 3dlk n PRO 420 Cb 0.40 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3dlk n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dlk s PRO 421 N -3.24 4.61 0.26 0.52 0.04 -1.26 -4.95 135.00 130.98 3dlk s PRO 421 Ca 0.72 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 3dlk s PRO 421 Cb -0.35 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 3dlk s PRO 421 CO 0.51 0.15 0.64 -0.51 0.04 0.00 0.00 177.00 177.84 3dlk s LEU 422 N -1.12 4.16 -0.04 -3.56 1.43 -1.26 -4.56 118.68 113.73 3dlk s LEU 422 Ca 0.46 1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 54.44 3dlk s LEU 422 Cb -0.32 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 3dlk s LEU 422 CO 0.40 -0.10 0.80 -0.69 0.23 0.00 0.00 176.35 176.98 3dlk s VAL 423 N -1.83 4.97 0.29 -1.59 1.01 0.34 -5.03 120.40 118.57 3dlk s VAL 423 Ca 0.49 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 64.13 3dlk s VAL 423 Cb -0.12 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 3dlk s VAL 423 CO 0.19 0.23 0.34 -1.59 0.00 0.00 0.00 175.10 174.27 3dlk s LYS 424 N 0.81 1.66 -0.26 2.72 -2.85 -1.26 -4.46 119.74 116.10 3dlk s LYS 424 Ca 0.42 -1.73 -0.14 0.00 -1.00 0.00 0.00 55.97 53.52 3dlk s LYS 424 Cb -0.19 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 3dlk s LYS 424 CO 0.22 -0.64 0.33 -0.51 0.10 0.00 0.00 175.35 174.85 3dlk s LEU 425 N -3.23 4.06 0.26 2.77 1.43 -1.26 -4.80 118.68 117.91 3dlk s LEU 425 Ca 0.34 0.27 0.15 0.00 -1.03 0.00 0.00 54.13 53.87 3dlk s LEU 425 Cb 0.02 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.92 3dlk s LEU 425 CO 0.19 -0.12 1.37 -0.50 0.23 0.00 0.00 176.35 177.52 3dlk h TRP 426 N 8.00 0.00 -3.42 0.29 4.06 -1.98 -3.47 115.95 119.43 3dlk h TRP 426 Ca -0.33 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.55 3dlk h TRP 426 Cb 1.17 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.19 3dlk h TRP 426 CO 0.74 0.49 -0.15 1.52 -3.56 0.00 0.00 178.44 177.48 3dlk s TYR 427 N -2.97 -0.14 -0.16 0.49 -0.85 -1.26 -4.62 117.35 107.84 3dlk s TYR 427 Ca 0.03 -0.15 -0.04 0.00 -0.52 0.00 0.00 57.07 56.39 3dlk s TYR 427 Cb 0.08 0.18 0.07 0.00 0.38 0.00 0.00 41.96 42.67 3dlk s TYR 427 CO 0.75 -0.64 0.17 -1.14 -1.52 0.00 0.00 175.55 173.17 3dlk s GLN 428 N -3.55 0.11 0.63 -3.49 2.00 -1.26 -5.11 119.66 108.99 3dlk s GLN 428 Ca 0.02 0.25 -0.16 0.00 -2.00 0.00 0.00 55.36 53.46 3dlk s GLN 428 Cb 0.02 -1.07 -0.01 0.00 0.80 0.00 0.00 33.01 32.75 3dlk s GLN 428 CO -0.10 -0.55 1.11 -0.51 -0.50 0.00 0.00 175.29 174.74 3dlk s LEU 429 N 2.27 3.47 0.59 3.68 1.43 -1.26 -4.66 118.68 124.20 3dlk s LEU 429 Ca 0.05 2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 3dlk s LEU 429 Cb -0.15 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 3dlk s LEU 429 CO -0.09 -1.53 1.03 -1.61 0.23 0.00 0.00 176.35 174.38 3dlk s GLU 430 N -3.91 3.47 0.03 1.70 0.41 0.52 -4.98 118.70 115.93 3dlk s GLU 430 Ca 0.68 1.05 0.15 0.00 -0.41 0.00 0.00 54.97 56.45 3dlk s GLU 430 Cb -0.21 -2.06 -0.17 0.00 -1.78 0.00 0.00 34.13 29.91 3dlk s GLU 430 CO 0.38 -0.68 0.77 1.63 -0.49 0.00 0.00 175.26 176.87 3dlk n LYS 431 N -2.14 0.62 -4.19 1.61 4.76 -1.26 -4.73 118.16 112.83 3dlk n LYS 431 Ca 0.08 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.65 3dlk n LYS 431 Cb 0.53 -1.81 -0.10 0.00 -1.84 0.00 0.00 35.03 31.82 3dlk n LYS 431 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3dlk s GLU 432 N -2.81 0.90 0.53 1.97 0.41 -1.26 -5.11 118.70 113.33 3dlk s GLU 432 Ca -0.03 -1.34 -0.22 0.00 -0.41 0.00 0.00 54.97 52.96 3dlk s GLU 432 Cb 0.08 -0.37 -0.06 0.00 -1.78 0.00 0.00 34.13 32.01 3dlk s GLU 432 CO 0.82 0.02 1.38 -0.35 -0.49 0.00 0.00 175.26 176.63 3dlk n PRO 433 N 0.00 1.81 -3.03 0.39 -0.04 -1.26 -4.85 135.00 128.02 3dlk n PRO 433 Ca -0.12 0.66 -0.41 0.00 -0.04 0.00 0.00 63.50 63.58 3dlk n PRO 433 Cb 0.60 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 3dlk n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dlk s ILE 434 N -1.27 4.88 0.20 0.52 1.01 -1.26 -5.03 121.20 120.26 3dlk s ILE 434 Ca 0.70 1.11 -0.30 0.00 0.00 0.00 0.00 60.65 62.16 3dlk s ILE 434 Cb -0.42 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 3dlk s ILE 434 CO 0.51 -0.13 1.31 -0.69 0.00 0.00 0.00 174.94 175.93 3dlk s VAL 435 N 2.74 3.19 0.00 2.92 1.01 -1.26 -2.52 120.40 126.47 3dlk s VAL 435 Ca 0.29 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3dlk s VAL 435 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3dlk s VAL 435 CO 0.11 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3dlk n GLY 436 N 2.32 1.61 3.83 4.51 0.00 -1.26 -5.02 105.19 111.18 3dlk n GLY 436 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3dlk n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlk s ALA 437 N -3.19 3.77 0.50 4.61 0.00 -1.05 -5.06 121.76 121.34 3dlk s ALA 437 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 3dlk s ALA 437 Cb 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.88 3dlk s ALA 437 CO 0.00 0.45 1.28 -1.91 0.00 0.00 0.00 175.76 175.58 3dlk n GLU 438 N 2.35 1.73 -3.79 0.00 2.13 -1.26 -4.63 120.64 117.16 3dlk n GLU 438 Ca -0.17 0.63 -0.36 0.00 0.66 0.00 0.00 57.16 57.92 3dlk n GLU 438 Cb 0.53 -2.46 -0.13 0.00 0.27 0.00 0.00 31.44 29.66 3dlk n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3dlk s THR 439 N -1.27 4.09 -0.28 6.31 2.01 -1.26 -1.94 115.64 123.30 3dlk s THR 439 Ca 0.67 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 3dlk s THR 439 Cb -0.45 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3dlk s THR 439 CO 0.53 0.36 0.12 -0.36 -0.69 0.00 0.00 174.62 174.57 3dlk s PHE 440 N 1.58 3.14 -0.34 4.92 0.40 0.41 -2.63 117.98 125.47 3dlk s PHE 440 Ca 0.06 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 3dlk s PHE 440 Cb -0.15 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 3dlk s PHE 440 CO 0.02 -0.36 0.48 0.71 0.70 0.00 0.00 175.22 176.76 3dlk s TYR 441 N 1.64 3.20 0.27 0.36 1.51 -0.16 -0.60 117.35 123.57 3dlk s TYR 441 Ca 0.06 0.19 0.09 0.00 -1.01 0.00 0.00 57.07 56.40 3dlk s TYR 441 Cb -0.16 -2.84 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 3dlk s TYR 441 CO 0.06 -0.48 0.04 0.14 -1.11 0.00 0.00 175.55 174.19 3dlk s VAL 442 N 2.29 3.50 -0.16 0.71 -7.23 -0.30 -1.90 120.40 117.31 3dlk s VAL 442 Ca 0.17 -1.83 -0.32 0.00 -1.81 0.00 0.00 61.98 58.19 3dlk s VAL 442 Cb -0.16 -2.92 0.14 0.00 0.56 0.00 0.00 36.38 34.00 3dlk s VAL 442 CO 0.12 -0.35 1.13 -0.62 -0.31 0.00 0.00 175.10 175.07 3dlk s ASP 443 N -3.71 -0.21 0.11 4.85 3.68 -0.83 -4.50 116.67 116.05 3dlk s ASP 443 Ca 0.32 0.07 -0.09 0.00 2.13 0.00 0.00 52.55 54.98 3dlk s ASP 443 Cb -0.06 0.21 0.00 0.00 -1.45 0.00 0.00 42.92 41.62 3dlk s ASP 443 CO 0.21 -0.31 0.23 -0.83 0.13 0.00 0.00 175.17 174.60 3dlk s GLY 444 N -1.93 0.14 0.00 2.66 0.00 -1.26 -1.22 107.32 105.71 3dlk s GLY 444 Ca 0.07 -0.62 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 3dlk s GLY 444 CO -0.05 -0.76 0.61 0.00 0.00 0.00 0.00 173.10 172.90 3dlk s ALA 445 N -3.88 -1.58 0.05 3.20 0.00 -0.09 -4.63 121.76 114.83 3dlk s ALA 445 Ca 0.07 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 3dlk s ALA 445 Cb 0.04 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3dlk s ALA 445 CO -0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 175.76 175.19 3dlk s ALA 446 N -1.84 0.47 -0.34 0.00 0.00 -1.26 -1.00 121.76 117.80 3dlk s ALA 446 Ca -0.08 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 3dlk s ALA 446 Cb -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 3dlk s ALA 446 CO 0.04 -0.30 0.20 1.21 0.00 0.00 0.00 175.76 176.90 3dlk s ASN 447 N -2.59 5.77 0.34 0.00 3.84 -0.40 -4.79 114.94 117.12 3dlk s ASN 447 Ca 0.02 -0.60 0.26 0.00 0.21 0.00 0.00 52.86 52.75 3dlk s ASN 447 Cb 0.03 -2.06 1.18 0.00 -0.55 0.00 0.00 41.25 39.86 3dlk s ASN 447 CO -0.07 -0.26 1.78 0.08 -2.79 0.00 0.00 177.10 175.84 3dlk h ARG 448 N 8.43 0.00 0.09 0.43 0.11 -1.92 1.23 114.38 122.74 3dlk h ARG 448 Ca -0.30 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.61 3dlk h ARG 448 Cb 1.14 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.23 3dlk h ARG 448 CO 0.64 0.00 -0.80 0.93 0.10 0.00 0.00 179.97 180.84 3dlk h GLU 449 N 0.00 0.19 0.00 0.08 3.07 -1.97 -3.38 114.58 112.57 3dlk h GLU 449 Ca 0.00 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3dlk h GLU 449 Cb 0.27 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3dlk h GLU 449 CO 0.00 1.15 -1.56 0.25 -1.40 0.00 0.00 179.01 177.45 3dlk n THR 450 N -4.22 0.04 -1.13 1.13 -2.24 -1.13 -4.98 114.28 101.76 3dlk n THR 450 Ca -0.17 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 3dlk n THR 450 Cb 0.75 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 3dlk n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dlk n LYS 451 N -2.03 -0.87 -3.41 -0.78 4.01 0.42 -4.68 118.16 110.82 3dlk n LYS 451 Ca -0.01 0.51 -0.38 0.00 -0.51 0.00 0.00 58.31 57.92 3dlk n LYS 451 Cb 0.49 -4.34 -0.06 0.00 -0.51 0.00 0.00 35.03 30.61 3dlk n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3dlk s LEU 452 N -1.01 4.43 0.00 -0.35 1.43 -1.23 -0.18 118.68 121.77 3dlk s LEU 452 Ca 0.00 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 3dlk s LEU 452 Cb 0.00 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 3dlk s LEU 452 CO 0.00 0.23 0.29 0.61 0.23 0.00 0.00 176.35 177.71 3dlk n GLY 453 N 2.21 2.83 3.09 -3.19 0.00 0.70 -1.28 105.19 109.54 3dlk n GLY 453 Ca -0.11 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3dlk n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dlk s LYS 454 N -3.00 0.46 -0.02 1.61 1.02 -0.17 0.11 119.74 119.76 3dlk s LYS 454 Ca 0.31 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 3dlk s LYS 454 Cb 0.01 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 3dlk s LYS 454 CO 0.22 -0.11 0.06 0.00 -0.92 0.00 0.00 175.35 174.60 3dlk s ALA 455 N -1.51 -0.13 0.02 5.17 0.00 -0.83 -0.91 121.76 123.57 3dlk s ALA 455 Ca -0.14 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 3dlk s ALA 455 Cb -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3dlk s ALA 455 CO 0.01 -0.05 0.20 0.41 0.00 0.00 0.00 175.76 176.32 3dlk n GLY 456 N 2.80 0.98 3.45 0.00 0.00 -0.36 -0.48 105.19 111.57 3dlk n GLY 456 Ca -0.14 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 3dlk n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dlk s TYR 457 N -4.53 -0.38 0.00 1.61 -0.85 0.03 -1.97 117.35 111.27 3dlk s TYR 457 Ca 0.04 0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.71 3dlk s TYR 457 Cb -0.00 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.81 3dlk s TYR 457 CO 0.01 -0.86 -0.03 0.14 -1.52 0.00 0.00 175.55 173.29 3dlk s VAL 458 N -3.79 0.18 0.47 -3.49 -7.23 -0.80 -1.46 120.40 104.28 3dlk s VAL 458 Ca 0.03 -0.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 3dlk s VAL 458 Cb -0.01 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 3dlk s VAL 458 CO -0.10 -0.04 0.01 0.42 -0.31 0.00 0.00 175.10 175.08 3dlk s THR 459 N -0.30 1.39 -0.31 5.32 -4.23 0.29 -0.99 115.64 116.83 3dlk s THR 459 Ca -0.02 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.77 3dlk s THR 459 Cb -0.02 -2.43 0.33 0.00 1.34 0.00 0.00 72.50 71.71 3dlk s THR 459 CO -0.00 0.00 1.80 -0.55 -0.54 0.00 0.00 174.62 175.33 3dlk h ASN 460 N 1.51 0.00 -0.35 3.99 -1.07 -1.83 -2.82 115.58 115.00 3dlk h ASN 460 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 3dlk h ASN 460 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 3dlk h ASN 460 CO 0.76 0.00 0.00 0.29 0.07 0.00 0.00 177.43 178.55 3dlk n LYS 461 N -2.74 1.99 -0.72 4.14 5.02 -1.26 -4.91 118.16 119.68 3dlk n LYS 461 Ca 0.03 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 3dlk n LYS 461 Cb 0.36 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3dlk n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dlk n GLY 462 N 1.22 0.81 3.76 0.72 0.00 -1.07 -5.03 105.19 105.59 3dlk n GLY 462 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3dlk n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlk s ARG 463 N -0.28 4.58 0.05 1.61 3.52 -1.26 -4.81 118.95 122.35 3dlk s ARG 463 Ca 0.00 1.87 -0.12 0.00 -0.13 0.00 0.00 55.73 57.35 3dlk s ARG 463 Cb 0.00 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3dlk s ARG 463 CO 0.00 0.11 0.26 -0.65 -0.81 0.00 0.00 175.30 174.21 3dlk s GLN 464 N -1.29 0.78 -0.28 5.12 -0.21 -1.26 -0.55 119.66 121.97 3dlk s GLN 464 Ca 0.46 -0.58 -0.23 0.00 0.02 0.00 0.00 55.36 55.04 3dlk s GLN 464 Cb -0.33 0.33 0.10 0.00 1.00 0.00 0.00 33.01 34.11 3dlk s GLN 464 CO 0.42 -0.24 0.84 0.21 -2.12 0.00 0.00 175.29 174.40 3dlk s LYS 465 N -2.66 0.66 -0.03 2.91 2.20 -0.54 -4.99 119.74 117.31 3dlk s LYS 465 Ca -0.04 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 3dlk s LYS 465 Cb -0.01 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 3dlk s LYS 465 CO -0.04 -0.09 0.02 0.08 -0.36 0.00 0.00 175.35 174.95 3dlk s VAL 466 N 0.63 0.05 -0.07 4.02 1.01 -1.26 -0.79 120.40 123.99 3dlk s VAL 466 Ca -0.01 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3dlk s VAL 466 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 3dlk s VAL 466 CO -0.06 0.12 -0.23 -0.69 0.00 0.00 0.00 175.10 174.24 3dlk s VAL 467 N 1.12 1.92 0.26 2.92 1.01 0.37 -4.96 120.40 123.03 3dlk s VAL 467 Ca -0.08 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 3dlk s VAL 467 Cb -0.13 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 3dlk s VAL 467 CO -0.02 0.53 0.90 -2.16 0.00 0.00 0.00 175.10 174.35 3dlk s PRO 468 N 0.11 4.66 0.12 2.72 0.04 -1.26 -1.97 135.00 139.42 3dlk s PRO 468 Ca -0.10 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.32 3dlk s PRO 468 Cb -0.15 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3dlk s PRO 468 CO 0.06 0.42 -0.13 -0.51 0.04 0.00 0.00 177.00 176.88 3dlk s LEU 469 N -1.58 2.42 0.10 -3.56 1.43 0.31 -4.94 118.68 112.86 3dlk s LEU 469 Ca 0.44 -0.84 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3dlk s LEU 469 Cb -0.22 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 3dlk s LEU 469 CO 0.27 -0.20 -0.18 0.42 0.23 0.00 0.00 176.35 176.89 3dlk s THR 470 N -2.39 1.50 -1.15 5.49 -4.23 -1.26 -0.22 115.64 113.38 3dlk s THR 470 Ca 0.09 -1.51 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 3dlk s THR 470 Cb -0.03 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 3dlk s THR 470 CO 0.02 -0.16 0.79 -3.20 -0.54 0.00 0.00 174.62 171.52 3dlk n ASN 471 N 1.04 -4.85 -2.88 3.99 5.15 0.75 -4.93 115.26 113.52 3dlk n ASN 471 Ca -0.19 -0.95 -0.16 0.00 -0.60 0.00 0.00 54.58 52.69 3dlk n ASN 471 Cb 0.54 -3.73 -0.05 0.00 -0.53 0.00 0.00 39.78 36.01 3dlk n ASN 471 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3dlk n THR 472 N -4.05 0.00 -4.26 -0.44 5.66 -0.35 -5.05 114.28 105.79 3dlk n THR 472 Ca -0.12 -1.59 -0.14 0.00 -3.05 0.00 0.00 64.05 59.15 3dlk n THR 472 Cb 0.61 0.64 -0.10 0.00 -1.55 0.00 0.00 70.33 69.93 3dlk n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dlk s THR 473 N -2.67 0.32 0.24 1.09 -4.23 -1.26 -4.73 115.64 104.40 3dlk s THR 473 Ca 0.18 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 3dlk s THR 473 Cb 0.01 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.53 3dlk s THR 473 CO 0.13 -0.05 1.88 0.78 -0.54 0.00 0.00 174.62 176.81 3dlk h ASN 474 N 2.52 0.93 -0.53 3.99 2.35 -1.90 -0.70 115.58 122.23 3dlk h ASN 474 Ca -0.37 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.27 3dlk h ASN 474 Cb 1.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 3dlk h ASN 474 CO 0.58 0.64 -0.04 1.56 -1.65 0.00 0.00 177.43 178.51 3dlk h GLN 475 N 1.09 1.00 -0.35 0.81 4.20 -1.96 -1.63 115.11 118.28 3dlk h GLN 475 Ca 0.35 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3dlk h GLN 475 Cb 0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3dlk h GLN 475 CO -0.12 1.01 -0.21 0.87 -0.67 0.00 0.00 178.83 179.71 3dlk h LYS 476 N 0.91 0.75 -0.05 1.46 1.57 -1.85 -2.74 116.57 116.62 3dlk h LYS 476 Ca 0.16 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 3dlk h LYS 476 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3dlk h LYS 476 CO 0.04 0.96 -0.22 1.79 -0.57 0.00 0.00 179.45 181.44 3dlk h THR 477 N 0.53 1.19 -0.30 -0.16 1.35 -1.02 0.54 112.91 115.04 3dlk h THR 477 Ca 0.07 -0.87 -0.12 0.00 -0.55 0.00 0.00 66.41 64.94 3dlk h THR 477 Cb 0.76 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3dlk h THR 477 CO 0.06 0.26 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.94 3dlk h GLU 478 N 0.08 0.64 0.02 4.72 5.08 -1.13 -1.22 114.58 122.77 3dlk h GLU 478 Ca 0.01 -0.29 -0.21 0.00 -1.00 0.00 0.00 59.36 57.88 3dlk h GLU 478 Cb 0.44 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3dlk h GLU 478 CO 0.03 0.88 -0.93 -0.07 -1.00 0.00 0.00 179.01 177.92 3dlk h LEU 479 N 0.54 0.23 -0.83 1.33 3.38 -1.12 -3.10 115.31 115.73 3dlk h LEU 479 Ca 0.06 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3dlk h LEU 479 Cb 0.81 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3dlk h LEU 479 CO 0.07 1.03 -0.09 -0.61 0.09 0.00 0.00 178.44 178.93 3dlk h GLN 480 N 0.08 0.78 -0.68 1.13 5.75 -0.65 -1.23 115.11 120.30 3dlk h GLN 480 Ca -0.05 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 3dlk h GLN 480 Cb 1.58 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 30.03 3dlk h GLN 480 CO 0.14 0.85 0.11 0.00 -2.65 0.00 0.00 178.83 177.27 3dlk h ALA 481 N 1.19 0.91 -0.51 3.38 0.00 -1.22 -0.32 119.26 122.69 3dlk h ALA 481 Ca 0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3dlk h ALA 481 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3dlk h ALA 481 CO 0.03 0.67 0.04 0.82 0.00 0.00 0.00 179.25 180.82 3dlk h ILE 482 N 1.05 1.26 -0.69 0.00 2.04 -1.41 -2.09 117.51 117.66 3dlk h ILE 482 Ca 0.21 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 3dlk h ILE 482 Cb 0.45 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3dlk h ILE 482 CO 0.01 0.36 0.32 0.22 0.00 0.00 0.00 178.15 179.06 3dlk h TYR 483 N 0.74 1.01 -0.79 1.37 3.20 -0.93 -2.07 116.97 119.50 3dlk h TYR 483 Ca 0.15 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3dlk h TYR 483 Cb 0.46 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3dlk h TYR 483 CO 0.03 0.76 0.52 -0.07 -1.64 0.00 0.00 178.16 177.76 3dlk h LEU 484 N 0.97 0.91 -0.83 2.82 3.38 -0.83 -1.74 115.31 119.99 3dlk h LEU 484 Ca 0.24 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3dlk h LEU 484 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dlk h LEU 484 CO -0.03 0.66 0.03 0.00 0.09 0.00 0.00 178.44 179.19 3dlk h ALA 485 N 1.28 1.03 -0.52 1.53 0.00 -1.03 -2.24 119.26 119.32 3dlk h ALA 485 Ca 0.29 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dlk h ALA 485 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3dlk h ALA 485 CO -0.06 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.71 3dlk h LEU 486 N 0.84 0.91 -0.96 0.00 3.38 -1.00 -2.71 115.31 115.77 3dlk h LEU 486 Ca 0.16 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3dlk h LEU 486 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3dlk h LEU 486 CO 0.02 1.00 -0.17 1.56 0.09 0.00 0.00 178.44 180.95 3dlk h GLN 487 N 0.80 0.56 -0.39 1.13 4.20 -1.14 -3.22 115.11 117.05 3dlk h GLN 487 Ca 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3dlk h GLN 487 Cb 0.54 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3dlk h GLN 487 CO 0.03 0.71 0.00 -0.25 -0.67 0.00 0.00 178.83 178.65 3dlk n ASP 488 N -4.16 3.11 -4.89 1.46 8.00 -0.86 -4.97 116.55 114.24 3dlk n ASP 488 Ca 0.00 -1.94 -0.22 0.00 0.71 0.00 0.00 54.79 53.34 3dlk n ASP 488 Cb 0.36 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 3dlk n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dlk s SER 489 N -1.42 4.96 0.28 -2.24 1.04 -1.03 -5.07 113.70 110.23 3dlk s SER 489 Ca 0.38 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3dlk s SER 489 Cb 0.22 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.00 3dlk s SER 489 CO 0.30 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3dlk n GLY 490 N -1.62 -1.26 0.24 7.32 0.00 -1.26 -4.94 105.19 103.68 3dlk n GLY 490 Ca 0.03 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.61 3dlk n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dlk h LEU 491 N 0.00 0.00 -8.34 0.99 3.38 -1.94 -3.42 115.31 105.99 3dlk h LEU 491 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3dlk h LEU 491 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 3dlk h LEU 491 CO 0.00 0.14 -0.87 -1.61 0.09 0.00 0.00 178.44 176.19 3dlk s GLU 492 N -3.71 2.51 -0.13 1.13 2.02 -1.26 -0.37 118.70 118.90 3dlk s GLU 492 Ca 0.00 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 3dlk s GLU 492 Cb 0.10 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.35 3dlk s GLU 492 CO 0.60 0.25 0.50 0.54 0.02 0.00 0.00 175.26 177.17 3dlk s VAL 493 N 0.14 0.01 -0.19 2.63 0.11 -0.28 -4.37 120.40 118.44 3dlk s VAL 493 Ca -0.10 -0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 3dlk s VAL 493 Cb -0.15 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 3dlk s VAL 493 CO 0.05 -0.05 0.02 0.20 -3.33 0.00 0.00 175.10 171.99 3dlk s ASN 494 N -0.31 5.10 -0.11 3.54 0.01 -0.82 -1.34 114.94 121.02 3dlk s ASN 494 Ca -0.05 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 3dlk s ASN 494 Cb -0.03 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.77 3dlk s ASN 494 CO 0.03 0.12 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.94 3dlk s ILE 495 N 0.69 1.61 -0.22 0.60 1.01 0.74 -0.44 121.20 125.19 3dlk s ILE 495 Ca 0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 3dlk s ILE 495 Cb -0.14 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3dlk s ILE 495 CO 0.02 0.46 0.01 -0.69 0.00 0.00 0.00 174.94 174.74 3dlk s VAL 496 N 0.84 3.91 0.13 2.92 1.01 0.24 0.16 120.40 129.60 3dlk s VAL 496 Ca -0.09 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3dlk s VAL 496 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3dlk s VAL 496 CO 0.00 0.40 -0.12 0.28 0.00 0.00 0.00 175.10 175.66 3dlk s THR 497 N 1.32 1.24 -1.01 3.92 -1.32 -0.02 -1.16 115.64 118.61 3dlk s THR 497 Ca 0.04 -1.79 0.11 0.00 -1.21 0.00 0.00 61.69 58.85 3dlk s THR 497 Cb -0.15 -1.58 0.32 0.00 -1.51 0.00 0.00 72.50 69.59 3dlk s THR 497 CO 0.01 -0.52 1.26 -0.90 -2.21 0.00 0.00 174.62 172.26 3dlk n ASP 498 N 0.36 2.96 -4.59 8.08 5.68 -1.26 -1.46 116.55 126.31 3dlk n ASP 498 Ca -0.14 -1.98 -0.43 0.00 -0.50 0.00 0.00 54.79 51.74 3dlk n ASP 498 Cb 0.58 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.29 3dlk n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3dlk s SER 499 N -1.00 6.58 0.20 -1.12 0.15 -1.26 -4.64 113.70 112.60 3dlk s SER 499 Ca 0.24 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 3dlk s SER 499 Cb 0.13 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 62.06 3dlk s SER 499 CO 0.17 -1.18 1.50 1.56 1.20 0.00 0.00 173.24 176.50 3dlk h GLN 500 N 9.17 0.47 0.19 5.44 4.20 -1.94 -2.55 115.11 130.08 3dlk h GLN 500 Ca -0.23 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.16 3dlk h GLN 500 Cb 1.07 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3dlk h GLN 500 CO 1.09 0.92 -0.14 -0.92 -0.67 0.00 0.00 178.83 179.11 3dlk h TYR 501 N 0.35 -0.36 -0.83 2.96 3.20 -2.00 -0.30 116.97 119.99 3dlk h TYR 501 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3dlk h TYR 501 Cb 1.13 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 3dlk h TYR 501 CO 0.04 -0.22 0.46 0.00 -1.64 0.00 0.00 178.16 176.80 3dlk h ALA 502 N 0.46 1.06 -0.51 1.82 0.00 -1.92 -2.37 119.26 117.82 3dlk h ALA 502 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3dlk h ALA 502 Cb 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dlk h ALA 502 CO -0.01 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.16 3dlk h LEU 503 N 1.16 0.74 -0.72 0.00 5.85 -1.23 -2.02 115.31 119.09 3dlk h LEU 503 Ca 0.29 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3dlk h LEU 503 Cb 0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3dlk h LEU 503 CO -0.05 0.75 -0.10 1.23 -0.34 0.00 0.00 178.44 179.94 3dlk h GLY 504 N 0.95 0.96 0.64 3.75 0.00 -0.56 -0.44 103.07 108.37 3dlk h GLY 504 Ca 0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3dlk h GLY 504 CO 0.00 0.68 -0.11 -2.22 0.00 0.00 0.00 176.54 174.89 3dlk h ILE 505 N 0.80 0.84 -0.49 2.60 1.08 -1.16 -3.10 117.51 118.08 3dlk h ILE 505 Ca 0.13 -0.69 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 3dlk h ILE 505 Cb 0.61 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 3dlk h ILE 505 CO 0.04 0.15 0.14 0.40 -0.69 0.00 0.00 178.15 178.18 3dlk h ILE 506 N -0.67 1.21 0.00 -0.67 2.04 -1.36 -1.90 117.51 116.16 3dlk h ILE 506 Ca -0.03 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3dlk h ILE 506 Cb 0.47 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3dlk h ILE 506 CO 0.05 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.47 3dlk n GLN 507 N -4.30 0.12 0.00 2.37 6.02 -0.18 -1.26 117.38 120.14 3dlk n GLN 507 Ca 0.04 0.33 0.14 0.00 -0.01 0.00 0.00 57.00 57.50 3dlk n GLN 507 Cb 0.20 -1.71 0.59 0.00 1.02 0.00 0.00 30.24 30.34 3dlk n GLN 507 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dlk n ALA 508 N -1.66 2.75 -3.64 -1.58 0.00 -0.71 -4.83 120.51 110.84 3dlk n ALA 508 Ca 0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 3dlk n ALA 508 Cb 0.22 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.36 3dlk n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dlk n GLN 509 N -1.14 -4.88 -2.48 0.00 6.02 -0.39 -4.98 117.38 109.54 3dlk n GLN 509 Ca 0.12 0.66 -0.34 0.00 -0.01 0.00 0.00 57.00 57.43 3dlk n GLN 509 Cb 0.29 -5.26 -0.03 0.00 1.02 0.00 0.00 30.24 26.26 3dlk n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3dlk s PRO 510 N -5.81 3.70 0.00 -1.09 0.04 -1.26 -4.72 135.00 125.86 3dlk s PRO 510 Ca 0.04 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.54 3dlk s PRO 510 Cb -0.01 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.47 3dlk s PRO 510 CO 0.80 -0.53 0.56 -0.40 0.04 0.00 0.00 177.00 177.47 3dlk n ASP 511 N -1.03 1.18 -3.55 6.66 5.68 0.38 -4.96 116.55 120.91 3dlk n ASP 511 Ca 0.10 -1.09 -0.17 0.00 -0.50 0.00 0.00 54.79 53.13 3dlk n ASP 511 Cb 0.52 0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 3dlk n ASP 511 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3dlk s LYS 512 N -0.36 1.00 0.12 0.11 1.02 -1.08 -5.00 119.74 115.54 3dlk s LYS 512 Ca 0.04 0.47 -0.07 0.00 0.02 0.00 0.00 55.97 56.43 3dlk s LYS 512 Cb 0.03 0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 37.80 3dlk s LYS 512 CO 0.05 -0.26 0.18 0.45 -0.92 0.00 0.00 175.35 174.85 3dlk s SER 513 N -0.74 0.15 0.08 2.83 0.15 -1.26 -1.97 113.70 112.95 3dlk s SER 513 Ca -0.08 -0.83 -0.07 0.00 0.70 0.00 0.00 55.95 55.67 3dlk s SER 513 Cb -0.01 0.35 -0.25 0.00 -1.71 0.00 0.00 66.02 64.40 3dlk s SER 513 CO 0.07 -0.77 1.15 -0.08 1.20 0.00 0.00 173.24 174.81 3dlk h GLU 514 N 2.73 0.38 -6.18 5.44 4.57 -1.10 -3.44 114.58 116.98 3dlk h GLU 514 Ca -0.33 -0.57 -0.56 0.00 -1.18 0.00 0.00 59.36 56.71 3dlk h GLU 514 Cb 1.20 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.96 3dlk h GLU 514 CO 0.55 1.25 0.95 0.45 -1.18 0.00 0.00 179.01 181.02 3dlk s SER 515 N -7.23 6.86 0.45 1.04 0.15 -1.26 -4.92 113.70 108.79 3dlk s SER 515 Ca -0.06 1.76 0.14 0.00 0.70 0.00 0.00 55.95 58.49 3dlk s SER 515 Cb 0.07 -2.54 1.06 0.00 -1.71 0.00 0.00 66.02 62.90 3dlk s SER 515 CO 0.90 -0.82 2.02 -0.08 1.20 0.00 0.00 173.24 176.45 3dlk h GLU 516 N 8.57 0.34 -0.11 5.44 4.81 -2.00 -2.10 114.58 129.55 3dlk h GLU 516 Ca -0.29 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 3dlk h GLU 516 Cb 1.12 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3dlk h GLU 516 CO 0.97 0.23 -0.01 1.25 -0.73 0.00 0.00 179.01 180.72 3dlk h LEU 517 N 0.35 0.19 -1.07 1.64 5.85 -1.98 -1.88 115.31 118.43 3dlk h LEU 517 Ca 0.22 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3dlk h LEU 517 Cb 0.41 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3dlk h LEU 517 CO -0.05 0.49 0.48 0.58 -0.34 0.00 0.00 178.44 179.60 3dlk h VAL 518 N -0.11 1.23 -0.50 1.05 2.07 -1.86 -2.09 116.25 116.04 3dlk h VAL 518 Ca 0.03 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3dlk h VAL 518 Cb 0.40 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3dlk h VAL 518 CO 0.01 0.25 0.20 0.78 0.02 0.00 0.00 177.57 178.83 3dlk h ASN 519 N 1.14 0.65 -0.30 0.57 2.35 -1.22 0.48 115.58 119.25 3dlk h ASN 519 Ca 0.30 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.83 3dlk h ASN 519 Cb -0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3dlk h ASN 519 CO -0.05 0.59 -0.34 1.56 -1.65 0.00 0.00 177.43 177.54 3dlk h GLN 520 N 0.71 0.83 -0.14 0.81 4.20 -0.70 -0.28 115.11 120.53 3dlk h GLN 520 Ca 0.17 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 3dlk h GLN 520 Cb 0.14 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3dlk h GLN 520 CO -0.02 1.04 0.04 0.82 -0.67 0.00 0.00 178.83 180.04 3dlk h ILE 521 N 0.69 1.18 -0.51 2.54 2.04 -0.79 -0.76 117.51 121.90 3dlk h ILE 521 Ca 0.07 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.44 3dlk h ILE 521 Cb 0.89 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 3dlk h ILE 521 CO 0.08 0.16 0.25 0.40 0.00 0.00 0.00 178.15 179.04 3dlk h ILE 522 N 0.04 0.94 -0.83 -0.67 2.04 -0.79 0.23 117.51 118.47 3dlk h ILE 522 Ca 0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3dlk h ILE 522 Cb 0.21 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3dlk h ILE 522 CO -0.00 0.09 0.55 -0.08 0.00 0.00 0.00 178.15 178.71 3dlk h GLU 523 N 0.49 1.07 -0.34 2.37 4.57 -0.84 -1.30 114.58 120.60 3dlk h GLU 523 Ca 0.23 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 3dlk h GLU 523 Cb 0.15 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3dlk h GLU 523 CO -0.17 0.71 -0.40 1.96 -1.18 0.00 0.00 179.01 179.93 3dlk h GLN 524 N 1.10 0.86 -0.67 1.92 1.08 0.41 -3.11 115.11 116.71 3dlk h GLN 524 Ca 0.31 -0.48 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3dlk h GLN 524 Cb -0.09 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3dlk h GLN 524 CO -0.07 1.12 0.41 -0.07 -0.95 0.00 0.00 178.83 179.27 3dlk h LEU 525 N 0.65 0.79 -1.81 1.46 3.38 -0.04 -1.73 115.31 118.02 3dlk h LEU 525 Ca 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3dlk h LEU 525 Cb 1.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3dlk h LEU 525 CO 0.10 0.60 -0.15 0.40 0.09 0.00 0.00 178.44 179.48 3dlk h ILE 526 N 0.91 0.87 0.00 1.22 2.04 -1.19 -2.51 117.51 118.86 3dlk h ILE 526 Ca 0.24 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3dlk h ILE 526 Cb -0.05 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3dlk h ILE 526 CO -0.05 0.14 -0.40 0.11 0.00 0.00 0.00 178.15 177.96 3dlk h LYS 527 N 0.00 0.00 -7.36 2.37 1.57 -1.27 -3.47 116.57 108.41 3dlk h LYS 527 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3dlk h LYS 527 Cb 0.30 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.69 3dlk h LYS 527 CO 0.02 0.00 0.39 0.15 -0.57 0.00 0.00 179.45 179.44 3dlk s LYS 528 N -3.22 3.20 -0.22 3.15 -0.14 -0.95 -4.99 119.74 116.57 3dlk s LYS 528 Ca 0.06 0.82 -0.04 0.00 -1.36 0.00 0.00 55.97 55.44 3dlk s LYS 528 Cb 0.10 -2.03 -0.19 0.00 -1.68 0.00 0.00 37.83 34.03 3dlk s LYS 528 CO 0.70 -0.88 -0.06 0.39 -0.76 0.00 0.00 175.35 174.74 3dlk n GLU 529 N -2.96 0.67 -3.73 1.68 -0.58 0.51 -4.96 120.64 111.26 3dlk n GLU 529 Ca 0.07 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 56.91 3dlk n GLU 529 Cb 0.54 -1.58 -0.12 0.00 -0.57 0.00 0.00 31.44 29.71 3dlk n GLU 529 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3dlk s LYS 530 N -2.52 0.26 -0.06 3.49 1.02 -0.90 -5.01 119.74 116.02 3dlk s LYS 530 Ca -0.32 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.24 3dlk s LYS 530 Cb 0.09 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.35 3dlk s LYS 530 CO 0.63 -0.15 -0.03 0.08 -0.92 0.00 0.00 175.35 174.96 3dlk s VAL 531 N 1.18 0.52 -0.18 3.17 1.01 -1.26 -1.13 120.40 123.71 3dlk s VAL 531 Ca -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 3dlk s VAL 531 Cb -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3dlk s VAL 531 CO -0.09 0.25 -0.14 -0.47 0.00 0.00 0.00 175.10 174.65 3dlk s TYR 532 N 1.28 2.83 -0.23 5.22 5.04 -0.45 -0.36 117.35 130.68 3dlk s TYR 532 Ca -0.05 -1.19 -0.06 0.00 -2.44 0.00 0.00 57.07 53.33 3dlk s TYR 532 Cb -0.14 -1.95 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 3dlk s TYR 532 CO -0.02 -0.59 0.02 -1.17 -1.34 0.00 0.00 175.55 172.45 3dlk s LEU 533 N 1.13 3.23 0.01 6.97 2.96 -1.26 -0.19 118.68 131.52 3dlk s LEU 533 Ca 0.01 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3dlk s LEU 533 Cb -0.14 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3dlk s LEU 533 CO -0.05 -0.01 -0.18 0.00 -1.32 0.00 0.00 176.35 174.78 3dlk s ALA 534 N 1.47 2.54 0.03 5.97 0.00 0.12 -4.97 121.76 126.92 3dlk s ALA 534 Ca 0.05 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.92 3dlk s ALA 534 Cb -0.15 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3dlk s ALA 534 CO 0.01 0.56 -0.04 -0.46 0.00 0.00 0.00 175.76 175.84 3dlk s TRP 535 N -0.82 2.95 0.03 0.00 -0.00 -1.26 -0.84 118.94 119.00 3dlk s TRP 535 Ca 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.10 56.20 3dlk s TRP 535 Cb -0.10 -1.60 -0.02 0.00 -0.00 0.00 0.00 33.47 31.75 3dlk s TRP 535 CO 0.03 0.43 0.00 0.14 -0.00 0.00 0.00 176.95 177.55 3dlk s VAL 536 N -1.11 0.15 0.41 5.86 -7.23 -0.54 -4.93 120.40 113.01 3dlk s VAL 536 Ca 0.20 -1.25 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 3dlk s VAL 536 Cb -0.11 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.92 3dlk s VAL 536 CO 0.11 -0.69 1.16 -2.84 -0.31 0.00 0.00 175.10 172.53 3dlk s PRO 537 N -2.53 4.03 0.58 4.82 0.02 -1.26 -4.17 135.00 136.49 3dlk s PRO 537 Ca -0.06 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 3dlk s PRO 537 Cb -0.02 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 3dlk s PRO 537 CO -0.05 -0.33 1.01 0.00 -0.33 0.00 0.00 177.00 177.30 3dlk s ALA 538 N -1.45 3.09 -1.65 -1.55 0.00 -1.26 -4.14 121.76 114.80 3dlk s ALA 538 Ca 0.58 0.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 3dlk s ALA 538 Cb -0.30 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 19.87 3dlk s ALA 538 CO 0.37 -0.53 0.85 0.72 0.00 0.00 0.00 175.76 177.17 3dlk n HIS 539 N -2.33 -1.92 -1.00 0.00 8.25 -1.26 -4.86 115.22 112.09 3dlk n HIS 539 Ca 0.06 0.83 0.09 0.00 -0.26 0.00 0.00 57.72 58.45 3dlk n HIS 539 Cb 0.54 -3.28 0.16 0.00 1.12 0.00 0.00 29.99 28.53 3dlk n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dlk n LYS 540 N -4.48 1.70 -2.08 -0.41 4.76 -1.26 -4.98 118.16 111.41 3dlk n LYS 540 Ca 0.06 -2.58 -0.17 0.00 -2.87 0.00 0.00 58.31 52.75 3dlk n LYS 540 Cb 0.50 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 3dlk n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dlk n GLY 541 N -1.19 0.27 0.32 0.72 0.00 -1.26 -4.91 105.19 99.14 3dlk n GLY 541 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3dlk n GLY 541 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dlk h ILE 542 N 0.00 1.26 0.00 -0.61 1.08 -1.94 -3.48 117.51 113.82 3dlk h ILE 542 Ca -0.39 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 3dlk h ILE 542 Cb 1.24 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3dlk h ILE 542 CO 0.49 0.36 0.00 0.61 -0.69 0.00 0.00 178.15 178.92 3dlk n GLY 543 N -0.72 -0.21 5.00 5.37 0.00 -1.26 -4.76 105.19 108.60 3dlk n GLY 543 Ca 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3dlk n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlk n GLY 544 N 0.08 1.00 0.14 -0.02 0.00 -1.26 -3.64 105.19 101.50 3dlk n GLY 544 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3dlk n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3dlk h ASN 545 N 0.00 0.79 -0.11 1.61 -0.73 -1.90 -2.72 115.58 112.53 3dlk h ASN 545 Ca 0.00 -0.93 -0.18 0.00 1.87 0.00 0.00 56.30 57.07 3dlk h ASN 545 Cb 0.00 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.33 3dlk h ASN 545 CO 0.00 1.68 -0.57 -0.33 -0.37 0.00 0.00 177.43 177.84 3dlk h GLU 546 N 0.07 0.70 -0.05 6.67 4.39 -1.89 -0.39 114.58 124.09 3dlk h GLU 546 Ca -0.25 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 58.98 3dlk h GLU 546 Cb 2.10 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.81 3dlk h GLU 546 CO 0.26 1.08 -0.03 0.37 -1.16 0.00 0.00 179.01 179.52 3dlk h GLN 547 N 0.53 0.11 -0.27 2.33 4.15 -1.85 -2.53 115.11 117.58 3dlk h GLN 547 Ca 0.01 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 3dlk h GLN 547 Cb 1.14 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3dlk h GLN 547 CO 0.12 0.51 -0.16 -0.24 -1.93 0.00 0.00 178.83 177.13 3dlk h VAL 548 N -0.29 1.24 -0.76 2.39 3.04 -1.53 -2.45 116.25 117.89 3dlk h VAL 548 Ca 0.01 -1.08 -0.01 0.00 -1.01 0.00 0.00 66.70 64.61 3dlk h VAL 548 Cb 0.48 1.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.93 3dlk h VAL 548 CO 0.01 0.35 0.45 -0.78 -1.01 0.00 0.00 177.57 176.59 3dlk h ASP 549 N 0.44 0.91 -0.09 3.17 3.58 -1.00 -1.55 116.42 121.88 3dlk h ASP 549 Ca 0.08 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3dlk h ASP 549 Cb 0.54 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 3dlk h ASP 549 CO 0.03 0.71 -0.06 0.50 -2.88 0.00 0.00 179.24 177.55 3dlk h LYS 550 N 1.05 0.21 -0.32 0.28 1.63 -1.09 -2.82 116.57 115.50 3dlk h LYS 550 Ca 0.27 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 3dlk h LYS 550 Cb -0.03 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 3dlk h LYS 550 CO -0.05 0.58 0.22 -0.07 -3.45 0.00 0.00 179.45 176.68 3dlk h LEU 551 N -0.17 0.24 -0.15 5.20 3.38 -1.14 -2.31 115.31 120.35 3dlk h LEU 551 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dlk h LEU 551 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dlk h LEU 551 CO 0.02 0.16 -0.32 0.52 0.09 0.00 0.00 178.44 178.91 3dlk n VAL 552 N -4.49 0.00 -1.07 1.22 0.31 -0.61 -4.90 118.33 108.79 3dlk n VAL 552 Ca 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3dlk n VAL 552 Cb 0.19 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3dlk n VAL 552 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3dlk n SER 553 N -1.22 0.00 0.00 4.52 3.41 -0.87 -4.23 113.62 115.23 3dlk n SER 553 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3dlk n SER 553 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3dlk n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88