#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di6 s ILE 2 N 0.00 1.03 0.29 0.52 1.01 -1.26 -4.04 121.20 118.75 3di6 s ILE 2 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 3di6 s ILE 2 Cb 0.00 -1.26 -0.13 0.00 0.01 0.00 0.00 42.46 41.07 3di6 s ILE 2 CO 0.00 0.06 1.16 -0.24 0.00 0.00 0.00 174.94 175.92 3di6 n SER 3 N 4.89 1.97 0.00 3.58 2.88 0.40 -4.84 113.62 122.50 3di6 n SER 3 Ca -0.11 1.18 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 3di6 n SER 3 Cb 0.47 -1.37 0.60 0.00 -0.75 0.00 0.00 64.21 63.17 3di6 n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3di6 n PRO 4 N 0.87 0.80 -1.65 -1.46 -0.04 -1.26 -4.50 135.00 127.76 3di6 n PRO 4 Ca 0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 3di6 n PRO 4 Cb 0.33 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3di6 n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3di6 n ILE 5 N -0.89 2.73 -2.13 0.52 0.00 -1.26 -4.94 119.36 113.39 3di6 n ILE 5 Ca 0.15 -0.50 -0.37 0.00 0.00 0.00 0.00 62.75 62.03 3di6 n ILE 5 Cb 0.07 -1.31 0.01 0.00 0.00 0.00 0.00 39.64 38.40 3di6 n ILE 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3di6 s GLU 6 N -2.23 3.46 0.68 9.51 -1.05 -1.26 -4.84 118.70 122.96 3di6 s GLU 6 Ca 0.65 1.84 -0.12 0.00 -0.15 0.00 0.00 54.97 57.18 3di6 s GLU 6 Cb -0.51 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 3di6 s GLU 6 CO 0.55 -0.82 1.07 0.95 0.95 0.00 0.00 175.26 177.96 3di6 s THR 7 N -1.54 3.84 -0.16 1.83 -4.23 -1.26 -5.02 115.64 109.09 3di6 s THR 7 Ca 0.69 0.68 -0.17 0.00 -1.18 0.00 0.00 61.69 61.71 3di6 s THR 7 Cb -0.30 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 3di6 s THR 7 CO 0.35 -0.70 0.46 -0.69 -0.54 0.00 0.00 174.62 173.51 3di6 s VAL 8 N -2.83 5.18 0.27 2.29 1.01 -1.26 -4.98 120.40 120.08 3di6 s VAL 8 Ca 0.60 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 3di6 s VAL 8 Cb -0.15 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3di6 s VAL 8 CO 0.49 0.27 1.25 -2.16 0.00 0.00 0.00 175.10 174.96 3di6 s PRO 9 N 1.05 4.44 0.02 2.72 0.04 -1.26 -4.17 135.00 137.84 3di6 s PRO 9 Ca 0.23 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.36 3di6 s PRO 9 Cb -0.15 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 3di6 s PRO 9 CO 0.09 -0.11 -0.12 0.08 0.04 0.00 0.00 177.00 176.98 3di6 s VAL 10 N -0.70 0.97 0.20 -0.36 1.01 -1.26 -5.08 120.40 115.18 3di6 s VAL 10 Ca 0.50 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3di6 s VAL 10 Cb -0.37 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3di6 s VAL 10 CO 0.45 0.11 -0.18 -0.54 0.00 0.00 0.00 175.10 174.94 3di6 s LYS 11 N -0.72 1.36 0.77 2.72 1.02 -1.26 -4.71 119.74 118.92 3di6 s LYS 11 Ca 0.02 -1.53 -0.11 0.00 0.02 0.00 0.00 55.97 54.37 3di6 s LYS 11 Cb -0.06 -1.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.95 3di6 s LYS 11 CO 0.00 0.26 1.14 -0.51 -0.92 0.00 0.00 175.35 175.32 3di6 s LEU 12 N -3.00 2.66 0.33 3.17 1.43 -1.26 -2.01 118.68 119.99 3di6 s LEU 12 Ca 0.20 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 53.89 3di6 s LEU 12 Cb -0.04 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 42.60 3di6 s LEU 12 CO 0.08 -1.69 1.27 -0.54 0.23 0.00 0.00 176.35 175.70 3di6 s LYS 13 N -5.48 4.37 0.15 1.70 1.02 0.38 -4.49 119.74 117.41 3di6 s LYS 13 Ca 0.60 2.13 -0.10 0.00 0.02 0.00 0.00 55.97 58.63 3di6 s LYS 13 Cb -0.11 -3.06 0.18 0.00 -0.52 0.00 0.00 37.83 34.32 3di6 s LYS 13 CO 0.50 -0.14 1.00 -2.30 -0.92 0.00 0.00 175.35 173.49 3di6 n PRO 14 N 0.80 -0.14 0.04 -1.68 -0.02 -1.26 -0.74 135.00 132.01 3di6 n PRO 14 Ca 0.00 0.99 0.13 0.00 -2.02 0.00 0.00 63.50 62.60 3di6 n PRO 14 Cb 0.42 -1.48 0.32 0.00 -0.02 0.00 0.00 33.50 32.75 3di6 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3di6 n GLY 15 N -1.32 -1.44 3.93 -1.23 0.00 -1.26 -4.96 105.19 98.92 3di6 n GLY 15 Ca 0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3di6 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3di6 s MET 16 N -3.08 3.47 0.34 1.61 -1.94 0.08 -5.12 119.30 114.67 3di6 s MET 16 Ca 0.10 -0.46 0.08 0.00 -1.71 0.00 0.00 55.69 53.70 3di6 s MET 16 Cb 0.15 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 3di6 s MET 16 CO 0.66 0.51 0.28 0.34 -0.01 0.00 0.00 175.02 176.79 3di6 s ASP 17 N -2.99 5.22 0.92 3.03 2.15 -1.26 -4.71 116.67 119.03 3di6 s ASP 17 Ca 0.36 -0.53 -0.11 0.00 0.43 0.00 0.00 52.55 52.71 3di6 s ASP 17 Cb -0.12 -0.94 0.14 0.00 -0.30 0.00 0.00 42.92 41.71 3di6 s ASP 17 CO 0.28 -0.36 1.11 -0.83 -0.17 0.00 0.00 175.17 175.20 3di6 s GLY 18 N -3.98 1.65 0.30 2.66 0.00 -1.26 -4.97 107.32 101.72 3di6 s GLY 18 Ca 0.41 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 45.15 3di6 s GLY 18 CO 0.26 0.76 1.13 2.56 0.00 0.00 0.00 173.10 177.82 3di6 s PRO 19 N -4.73 4.56 -0.51 2.90 0.04 -1.26 -4.96 135.00 131.04 3di6 s PRO 19 Ca 0.65 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.62 3di6 s PRO 19 Cb -0.21 -3.12 0.26 0.00 0.04 0.00 0.00 34.50 31.47 3di6 s PRO 19 CO 0.58 0.12 0.66 1.63 0.04 0.00 0.00 177.00 180.03 3di6 n LYS 20 N 1.03 1.67 -3.72 4.56 4.76 -1.25 -0.96 118.16 124.26 3di6 n LYS 20 Ca -0.00 -3.96 -0.35 0.00 -2.87 0.00 0.00 58.31 51.12 3di6 n LYS 20 Cb 0.45 -1.76 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 3di6 n LYS 20 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3di6 s VAL 21 N -2.05 5.26 0.13 -0.18 1.01 -0.09 -4.88 120.40 119.61 3di6 s VAL 21 Ca 0.38 0.28 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 3di6 s VAL 21 Cb 0.18 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 3di6 s VAL 21 CO -0.07 0.40 0.74 -0.75 0.00 0.00 0.00 175.10 175.42 3di6 s LYS 22 N -1.64 4.50 -0.19 2.72 2.20 -1.26 -4.31 119.74 121.75 3di6 s LYS 22 Ca 0.27 1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 56.69 3di6 s LYS 22 Cb -0.14 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3di6 s LYS 22 CO 0.15 0.52 0.88 -1.14 -0.36 0.00 0.00 175.35 175.41 3di6 s GLN 23 N -0.92 4.28 0.26 4.03 2.00 -1.26 -4.73 119.66 123.32 3di6 s GLN 23 Ca 0.35 1.09 -0.30 0.00 -2.00 0.00 0.00 55.36 54.51 3di6 s GLN 23 Cb -0.22 -3.60 -0.10 0.00 0.80 0.00 0.00 33.01 29.90 3di6 s GLN 23 CO 0.24 -0.42 1.35 -0.46 -0.50 0.00 0.00 175.29 175.51 3di6 s TRP 24 N 2.45 3.12 0.08 1.67 -0.11 -1.26 -4.94 118.94 119.96 3di6 s TRP 24 Ca 0.39 1.22 -0.33 0.00 1.22 0.00 0.00 56.10 58.61 3di6 s TRP 24 Cb -0.16 -3.70 -0.12 0.00 -1.50 0.00 0.00 33.47 27.99 3di6 s TRP 24 CO 0.11 -2.12 1.77 -2.30 -4.62 0.00 0.00 176.95 169.78 3di6 n PRO 25 N 1.95 2.44 -3.08 5.86 -0.02 -1.26 -4.91 135.00 135.98 3di6 n PRO 25 Ca 0.04 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.23 3di6 n PRO 25 Cb 0.42 -2.73 0.01 0.00 -0.02 0.00 0.00 33.50 31.18 3di6 n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3di6 s LEU 26 N 2.48 3.59 0.36 2.45 1.43 -1.26 -5.07 118.68 122.65 3di6 s LEU 26 Ca 0.84 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 3di6 s LEU 26 Cb -0.60 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 3di6 s LEU 26 CO 0.41 -0.79 0.90 -0.89 0.23 0.00 0.00 176.35 176.21 3di6 s THR 27 N -2.39 4.37 0.24 5.49 2.01 -1.26 -4.66 115.64 119.44 3di6 s THR 27 Ca 0.55 1.54 -0.05 0.00 0.31 0.00 0.00 61.69 64.04 3di6 s THR 27 Cb -0.09 -3.79 0.20 0.00 0.01 0.00 0.00 72.50 68.83 3di6 s THR 27 CO 0.33 -0.07 1.76 -0.33 -0.69 0.00 0.00 174.62 175.61 3di6 h GLU 28 N 2.59 0.53 -0.54 4.92 5.08 -1.98 0.33 114.58 125.51 3di6 h GLU 28 Ca -0.48 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3di6 h GLU 28 Cb 1.19 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 3di6 h GLU 28 CO 0.63 0.35 0.15 0.93 -1.00 0.00 0.00 179.01 180.07 3di6 h GLU 29 N 0.54 0.29 -0.24 2.33 3.07 -1.99 0.96 114.58 119.54 3di6 h GLU 29 Ca 0.39 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 59.11 3di6 h GLU 29 Cb 0.51 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3di6 h GLU 29 CO -0.33 0.19 -0.32 0.87 -1.40 0.00 0.00 179.01 178.02 3di6 h LYS 30 N 0.30 0.64 -0.94 2.33 1.57 -1.52 -1.37 116.57 117.58 3di6 h LYS 30 Ca 0.27 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3di6 h LYS 30 Cb 0.36 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3di6 h LYS 30 CO -0.32 0.98 0.62 0.82 -0.57 0.00 0.00 179.45 180.97 3di6 h ILE 31 N 0.35 1.16 -0.19 1.86 2.04 -0.01 -0.57 117.51 122.14 3di6 h ILE 31 Ca 0.03 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 3di6 h ILE 31 Cb 0.90 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3di6 h ILE 31 CO 0.08 0.22 -0.04 0.50 0.00 0.00 0.00 178.15 178.90 3di6 h LYS 32 N 1.18 0.37 -0.74 2.37 3.64 -0.61 -1.32 116.57 121.45 3di6 h LYS 32 Ca 0.38 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3di6 h LYS 32 Cb 0.02 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3di6 h LYS 32 CO -0.12 0.61 0.28 0.00 -2.27 0.00 0.00 179.45 177.95 3di6 h ALA 33 N 0.74 0.97 -0.43 5.00 0.00 -0.97 -1.29 119.26 123.28 3di6 h ALA 33 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3di6 h ALA 33 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3di6 h ALA 33 CO 0.02 0.61 0.12 -0.07 0.00 0.00 0.00 179.25 179.93 3di6 h LEU 34 N 1.08 0.64 -0.39 0.00 3.38 -1.03 0.61 115.31 119.60 3di6 h LEU 34 Ca 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3di6 h LEU 34 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3di6 h LEU 34 CO -0.02 0.69 0.23 0.58 0.09 0.00 0.00 178.44 180.01 3di6 h VAL 35 N 0.56 1.13 0.18 1.22 2.07 -1.08 0.21 116.25 120.55 3di6 h VAL 35 Ca 0.14 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3di6 h VAL 35 Cb 0.28 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3di6 h VAL 35 CO -0.00 0.13 -0.10 -0.08 0.02 0.00 0.00 177.57 177.54 3di6 h GLU 36 N 0.51 -0.26 -0.89 1.57 4.81 -1.06 -0.65 114.58 118.62 3di6 h GLU 36 Ca 0.14 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3di6 h GLU 36 Cb 0.02 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3di6 h GLU 36 CO -0.03 -0.17 0.55 0.82 -0.73 0.00 0.00 179.01 179.45 3di6 h ILE 37 N -0.27 1.24 -0.24 2.32 2.04 -0.62 -2.68 117.51 119.31 3di6 h ILE 37 Ca -0.02 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 3di6 h ILE 37 Cb 0.21 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3di6 h ILE 37 CO 0.03 0.25 -0.26 0.00 0.00 0.00 0.00 178.15 178.17 3di6 h THR 39 N 0.29 0.23 -0.98 0.00 2.02 -0.97 0.37 112.91 113.88 3di6 h THR 39 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 3di6 h THR 39 Cb 0.82 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3di6 h THR 39 CO 0.06 0.00 0.64 -0.08 0.37 0.00 0.00 175.52 176.51 3di6 h GLU 40 N -0.16 1.21 -0.19 6.66 4.81 -1.37 -0.45 114.58 125.07 3di6 h GLU 40 Ca 0.22 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 3di6 h GLU 40 Cb 0.53 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3di6 h GLU 40 CO -0.62 0.80 -0.53 0.52 -0.73 0.00 0.00 179.01 178.45 3di6 h MET 41 N 1.24 0.56 -0.37 1.92 2.86 -0.88 -3.00 114.93 117.27 3di6 h MET 41 Ca 0.39 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3di6 h MET 41 Cb -0.01 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3di6 h MET 41 CO -0.12 0.95 0.22 1.49 1.06 0.00 0.00 176.91 180.51 3di6 h GLU 42 N 0.43 0.50 0.00 1.72 4.81 0.56 -0.62 114.58 121.98 3di6 h GLU 42 Ca 0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3di6 h GLU 42 Cb 1.07 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3di6 h GLU 42 CO 0.10 0.38 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 3di6 n LYS 43 N -4.79 0.19 -0.25 1.92 5.02 -0.26 -1.78 118.16 118.22 3di6 n LYS 43 Ca -0.00 0.49 0.08 0.00 -2.02 0.00 0.00 58.31 56.86 3di6 n LYS 43 Cb 0.06 -1.91 0.22 0.00 -0.02 0.00 0.00 35.03 33.37 3di6 n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3di6 n GLU 44 N -2.28 2.78 -0.71 1.97 1.02 -0.95 -4.99 120.64 117.49 3di6 n GLU 44 Ca 0.01 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.87 3di6 n GLU 44 Cb 0.18 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3di6 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3di6 n GLY 45 N 0.97 0.91 0.22 0.62 0.00 -0.73 -4.88 105.19 102.30 3di6 n GLY 45 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3di6 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3di6 h LYS 46 N 3.50 0.63 -4.76 1.61 1.79 -1.34 -3.43 116.57 114.57 3di6 h LYS 46 Ca 0.00 -0.39 -0.26 0.00 -2.18 0.00 0.00 60.65 57.82 3di6 h LYS 46 Cb 0.00 0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 30.54 3di6 h LYS 46 CO 0.00 1.01 -0.71 0.96 -1.08 0.00 0.00 179.45 179.63 3di6 s ILE 47 N -4.04 0.80 -0.01 1.86 -4.36 -1.24 -0.81 121.20 113.41 3di6 s ILE 47 Ca -0.08 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3di6 s ILE 47 Cb 0.11 -1.59 -0.00 0.00 1.25 0.00 0.00 42.46 42.23 3di6 s ILE 47 CO 0.85 -0.77 -0.06 -0.44 0.24 0.00 0.00 174.94 174.76 3di6 s SER 48 N -2.88 0.71 0.44 4.36 0.01 -0.66 -4.38 113.70 111.32 3di6 s SER 48 Ca 0.10 -0.11 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 3di6 s SER 48 Cb 0.03 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.09 3di6 s SER 48 CO -0.03 0.07 1.31 -0.54 0.41 0.00 0.00 173.24 174.46 3di6 s LYS 49 N -0.10 3.76 0.08 12.44 1.02 -1.26 -1.72 119.74 133.95 3di6 s LYS 49 Ca 0.02 2.14 0.04 0.00 0.02 0.00 0.00 55.97 58.20 3di6 s LYS 49 Cb -0.03 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 3di6 s LYS 49 CO -0.00 -0.66 -0.12 0.96 -0.92 0.00 0.00 175.35 174.60 3di6 s ILE 50 N -1.30 1.01 1.10 2.17 -4.36 -0.65 -4.89 121.20 114.28 3di6 s ILE 50 Ca 0.61 -1.40 -0.15 0.00 -0.26 0.00 0.00 60.65 59.45 3di6 s ILE 50 Cb -0.38 -1.12 0.24 0.00 1.25 0.00 0.00 42.46 42.45 3di6 s ILE 50 CO 0.47 -0.35 1.10 -0.83 0.24 0.00 0.00 174.94 175.57 3di6 s GLY 51 N -1.97 1.57 0.00 6.27 0.00 -1.26 -4.64 107.32 107.29 3di6 s GLY 51 Ca -0.00 -0.63 0.30 0.00 0.00 0.00 0.00 44.72 44.39 3di6 s GLY 51 CO 0.02 0.12 1.96 -1.55 0.00 0.00 0.00 173.10 173.64 3di6 n PRO 52 N -4.48 1.12 -0.13 2.90 -0.04 -1.26 -3.46 135.00 129.64 3di6 n PRO 52 Ca 0.08 -0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.05 3di6 n PRO 52 Cb 0.58 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.57 3di6 n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3di6 h GLU 53 N 0.94 0.92 -6.20 0.54 4.11 -2.03 -3.42 114.58 109.44 3di6 h GLU 53 Ca 0.00 -0.41 -0.60 0.00 0.07 0.00 0.00 59.36 58.43 3di6 h GLU 53 Cb 0.27 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3di6 h GLU 53 CO 0.00 1.06 1.24 -1.71 0.07 0.00 0.00 179.01 179.68 3di6 n ASN 54 N -4.10 3.42 -0.54 3.06 2.85 -1.23 -4.86 115.26 113.87 3di6 n ASN 54 Ca -0.00 0.74 0.13 0.00 -0.11 0.00 0.00 54.58 55.34 3di6 n ASN 54 Cb 0.47 -1.43 0.46 0.00 1.24 0.00 0.00 39.78 40.52 3di6 n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3di6 n PRO 55 N 7.44 1.73 -3.59 1.20 -0.04 -1.26 -4.95 135.00 135.53 3di6 n PRO 55 Ca 0.26 -1.07 -0.29 0.00 -0.04 0.00 0.00 63.50 62.36 3di6 n PRO 55 Cb 0.34 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 3di6 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3di6 s TYR 56 N -1.94 3.48 -0.20 0.54 2.02 -1.26 -4.78 117.35 115.21 3di6 s TYR 56 Ca 0.36 0.49 -0.27 0.00 -0.37 0.00 0.00 57.07 57.28 3di6 s TYR 56 Cb 0.20 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.86 3di6 s TYR 56 CO 0.32 0.34 0.72 1.21 -1.57 0.00 0.00 175.55 176.57 3di6 s ASN 57 N -2.94 -0.71 -0.02 2.29 2.47 -0.13 -4.69 114.94 111.23 3di6 s ASN 57 Ca 0.41 1.18 0.05 0.00 0.42 0.00 0.00 52.86 54.91 3di6 s ASN 57 Cb -0.11 1.13 -0.01 0.00 -1.45 0.00 0.00 41.25 40.81 3di6 s ASN 57 CO 0.28 -0.37 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.24 3di6 s THR 58 N -0.16 1.24 0.63 -5.21 2.01 0.26 -0.91 115.64 113.49 3di6 s THR 58 Ca -0.04 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 3di6 s THR 58 Cb -0.03 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3di6 s THR 58 CO 0.04 0.35 1.27 -2.84 -0.69 0.00 0.00 174.62 172.75 3di6 s PRO 59 N -0.31 2.70 0.09 4.92 0.02 -1.26 -4.19 135.00 136.97 3di6 s PRO 59 Ca 0.05 1.99 0.06 0.00 0.02 0.00 0.00 61.00 63.12 3di6 s PRO 59 Cb -0.07 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3di6 s PRO 59 CO -0.00 -1.46 -0.14 0.14 -0.33 0.00 0.00 177.00 175.20 3di6 s VAL 60 N -1.45 1.22 0.10 3.83 -7.23 -1.26 -2.26 120.40 113.34 3di6 s VAL 60 Ca 0.81 -1.48 -0.06 0.00 -1.81 0.00 0.00 61.98 59.44 3di6 s VAL 60 Cb -0.35 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3di6 s VAL 60 CO 0.38 -0.30 0.14 0.12 -0.31 0.00 0.00 175.10 175.13 3di6 s PHE 61 N -1.62 0.36 -0.02 2.82 5.99 -0.08 -4.90 117.98 120.53 3di6 s PHE 61 Ca 0.03 -0.80 0.04 0.00 0.00 0.00 0.00 56.93 56.19 3di6 s PHE 61 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 43.02 42.75 3di6 s PHE 61 CO 0.03 -0.53 -0.14 0.00 -0.00 0.00 0.00 175.22 174.57 3di6 s ALA 62 N -3.91 1.25 0.04 11.12 0.00 -1.26 -0.40 121.76 128.60 3di6 s ALA 62 Ca 0.10 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3di6 s ALA 62 Cb 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3di6 s ALA 62 CO -0.08 0.26 -0.11 -1.50 0.00 0.00 0.00 175.76 174.34 3di6 s ILE 63 N -0.13 0.85 0.79 0.00 2.07 -0.38 -4.95 121.20 119.45 3di6 s ILE 63 Ca 0.01 -1.03 -0.13 0.00 -1.41 0.00 0.00 60.65 58.09 3di6 s ILE 63 Cb -0.08 -0.82 0.20 0.00 0.13 0.00 0.00 42.46 41.88 3di6 s ILE 63 CO 0.00 -0.17 0.65 0.29 -1.91 0.00 0.00 174.94 173.80 3di6 n LYS 64 N 1.69 -2.62 -0.93 3.50 4.76 -1.26 -0.93 118.16 122.36 3di6 n LYS 64 Ca -0.20 -1.04 -0.34 0.00 -2.87 0.00 0.00 58.31 53.85 3di6 n LYS 64 Cb 0.55 -1.04 -0.04 0.00 -1.84 0.00 0.00 35.03 32.66 3di6 n LYS 64 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3di6 n THR 69 N -4.12 0.66 0.00 -0.18 5.66 -1.26 -4.97 114.28 110.07 3di6 n THR 69 Ca 0.09 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 3di6 n THR 69 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 3di6 n THR 69 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3di6 n LYS 70 N 0.80 0.00 -4.67 1.09 2.85 -1.26 -5.14 118.16 111.82 3di6 n LYS 70 Ca 0.12 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.13 3di6 n LYS 70 Cb 0.11 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.33 3di6 n LYS 70 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3di6 s TRP 71 N 0.00 1.52 -0.09 5.58 0.52 -1.26 -5.01 118.94 120.20 3di6 s TRP 71 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 56.10 55.66 3di6 s TRP 71 Cb 0.00 -1.06 0.01 0.00 -1.15 0.00 0.00 33.47 31.26 3di6 s TRP 71 CO 0.00 -0.21 -0.19 1.03 0.02 0.00 0.00 176.95 177.60 3di6 s ARG 72 N 0.34 2.51 -0.15 4.98 1.81 -0.11 -4.98 118.95 123.35 3di6 s ARG 72 Ca -0.09 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 52.95 3di6 s ARG 72 Cb -0.13 -1.96 -0.01 0.00 -0.45 0.00 0.00 34.95 32.40 3di6 s ARG 72 CO 0.03 0.10 0.93 0.21 -0.68 0.00 0.00 175.30 175.89 3di6 s LYS 73 N 0.52 4.35 -0.25 3.54 2.20 -1.26 -1.25 119.74 127.59 3di6 s LYS 73 Ca -0.16 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.69 3di6 s LYS 73 Cb -0.17 -3.57 0.06 0.00 -1.51 0.00 0.00 37.83 32.65 3di6 s LYS 73 CO 0.06 -0.35 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.46 3di6 s LEU 74 N 2.20 2.86 -0.18 5.43 2.96 0.47 -4.99 118.68 127.44 3di6 s LEU 74 Ca 0.43 -1.27 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 3di6 s LEU 74 Cb -0.17 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3di6 s LEU 74 CO 0.14 -0.23 0.33 -0.69 -1.32 0.00 0.00 176.35 174.58 3di6 s VAL 75 N 1.31 5.26 -0.94 1.68 1.01 -1.26 -0.90 120.40 126.56 3di6 s VAL 75 Ca -0.06 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 3di6 s VAL 75 Cb -0.19 -3.67 0.12 0.00 0.00 0.00 0.00 36.38 32.63 3di6 s VAL 75 CO -0.06 0.33 1.18 -0.62 0.00 0.00 0.00 175.10 175.93 3di6 s ASP 76 N 0.72 6.60 -0.03 3.32 3.68 -0.96 -4.87 116.67 125.14 3di6 s ASP 76 Ca 0.18 -1.94 0.05 0.00 2.13 0.00 0.00 52.55 52.97 3di6 s ASP 76 Cb -0.14 -2.43 0.21 0.00 -1.45 0.00 0.00 42.92 39.11 3di6 s ASP 76 CO 0.06 -1.14 1.03 0.49 0.13 0.00 0.00 175.17 175.74 3di6 n PHE 77 N 6.92 0.42 -0.21 -5.34 3.01 -1.26 -4.26 117.46 116.74 3di6 n PHE 77 Ca 0.25 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.54 3di6 n PHE 77 Cb 0.49 -0.09 0.08 0.00 -0.01 0.00 0.00 39.48 39.96 3di6 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3di6 h ARG 78 N 1.20 0.05 -0.17 -1.08 3.08 -1.91 0.14 114.38 115.70 3di6 h ARG 78 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3di6 h ARG 78 Cb 0.55 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3di6 h ARG 78 CO 0.06 0.03 -0.06 0.93 -1.07 0.00 0.00 179.97 179.87 3di6 h GLU 79 N 0.05 0.33 -0.20 0.04 4.39 -2.00 -1.98 114.58 115.22 3di6 h GLU 79 Ca 0.31 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.92 3di6 h GLU 79 Cb 0.50 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 3di6 h GLU 79 CO -0.59 0.62 -0.11 1.25 -1.16 0.00 0.00 179.01 179.03 3di6 h LEU 80 N 0.03 -0.36 -0.51 1.33 5.85 -1.76 -1.97 115.31 117.92 3di6 h LEU 80 Ca 0.04 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3di6 h LEU 80 Cb 0.51 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 3di6 h LEU 80 CO 0.02 -0.14 -0.01 0.78 -0.34 0.00 0.00 178.44 178.75 3di6 h ASN 81 N -0.09 -0.24 -0.65 1.25 2.35 -0.68 0.25 115.58 117.77 3di6 h ASN 81 Ca 0.11 0.13 0.14 0.00 -0.55 0.00 0.00 56.30 56.13 3di6 h ASN 81 Cb 0.26 0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 3di6 h ASN 81 CO -0.26 -0.09 0.44 0.11 -1.65 0.00 0.00 177.43 175.99 3di6 h LYS 82 N 0.10 0.25 0.00 0.81 1.57 -0.95 -2.71 116.57 115.64 3di6 h LYS 82 Ca 0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3di6 h LYS 82 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3di6 h LYS 82 CO -0.44 0.17 -0.62 0.54 -0.57 0.00 0.00 179.45 178.52 3di6 n ARG 83 N -4.44 0.11 -3.83 3.15 1.74 0.71 -4.92 116.66 109.19 3di6 n ARG 83 Ca 0.12 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.89 3di6 n ARG 83 Cb 0.53 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 3di6 n ARG 83 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3di6 s THR 84 N -3.07 5.34 0.97 0.55 -4.23 -0.17 -0.47 115.64 114.56 3di6 s THR 84 Ca 0.09 -0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 3di6 s THR 84 Cb 0.16 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.42 3di6 s THR 84 CO 0.72 0.24 0.14 0.00 -0.54 0.00 0.00 174.62 175.19 3di6 n GLN 85 N 0.69 -0.30 -2.38 3.99 10.64 -0.85 -4.63 117.38 124.54 3di6 n GLN 85 Ca -0.08 -0.05 -0.33 0.00 -1.83 0.00 0.00 57.00 54.71 3di6 n GLN 85 Cb 0.52 -1.68 -0.02 0.00 -0.86 0.00 0.00 30.24 28.20 3di6 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3di6 s ASP 86 N -1.81 6.33 0.31 2.61 1.01 -1.26 -4.97 116.67 118.89 3di6 s ASP 86 Ca 0.53 1.75 0.10 0.00 0.71 0.00 0.00 52.55 55.64 3di6 s ASP 86 Cb -0.20 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.14 3di6 s ASP 86 CO 0.70 -0.79 -0.12 -0.36 0.21 0.00 0.00 175.17 174.81 3di6 s PHE 87 N -2.36 2.29 0.36 4.23 0.08 -1.26 -5.10 117.98 116.23 3di6 s PHE 87 Ca 0.63 -0.47 -0.28 0.00 0.12 0.00 0.00 56.93 56.93 3di6 s PHE 87 Cb -0.13 -1.21 -0.10 0.00 -0.57 0.00 0.00 43.02 41.00 3di6 s PHE 87 CO 0.28 0.58 1.38 -0.46 -0.10 0.00 0.00 175.22 176.90 3di6 s TRP 88 N -2.64 2.82 0.59 0.36 -0.00 -1.26 -4.96 118.94 113.85 3di6 s TRP 88 Ca 0.31 1.32 -0.20 0.00 -0.00 0.00 0.00 56.10 57.53 3di6 s TRP 88 Cb 0.00 -3.82 -0.04 0.00 -0.00 0.00 0.00 33.47 29.62 3di6 s TRP 88 CO 0.15 -2.36 1.18 -1.91 -0.00 0.00 0.00 176.95 174.02 3di6 n GLU 89 N 0.53 1.22 0.09 5.86 4.07 -1.26 -4.89 120.64 126.26 3di6 n GLU 89 Ca 0.01 0.46 -0.20 0.00 -0.06 0.00 0.00 57.16 57.37 3di6 n GLU 89 Cb 0.41 -2.39 -0.12 0.00 -0.06 0.00 0.00 31.44 29.28 3di6 n GLU 89 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3di6 h VAL 90 N 0.83 1.32 -3.20 6.31 2.07 -1.96 -3.46 116.25 118.17 3di6 h VAL 90 Ca -0.50 -2.52 -0.12 0.00 0.82 0.00 0.00 66.70 64.38 3di6 h VAL 90 Cb 1.34 2.68 -0.19 0.00 -1.52 0.00 0.00 31.29 33.59 3di6 h VAL 90 CO 0.54 0.76 -0.31 -1.10 0.02 0.00 0.00 177.57 177.48 3di6 s GLN 91 N -2.99 0.67 0.00 1.57 1.11 -1.26 -5.02 119.66 113.74 3di6 s GLN 91 Ca -0.08 -0.32 0.29 0.00 0.01 0.00 0.00 55.36 55.26 3di6 s GLN 91 Cb 0.06 0.29 1.18 0.00 -1.01 0.00 0.00 33.01 33.54 3di6 s GLN 91 CO 0.92 -0.19 1.88 -0.11 0.01 0.00 0.00 175.29 177.80 3di6 n LEU 92 N 1.12 0.06 0.00 2.90 7.94 -1.26 -4.99 117.00 122.77 3di6 n LEU 92 Ca -0.21 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 3di6 n LEU 92 Cb 0.57 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3di6 n LEU 92 CO 0.22 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 3di6 n GLY 93 N 1.48 0.77 3.71 -3.96 0.00 -1.26 -5.16 105.19 100.77 3di6 n GLY 93 Ca 0.08 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 3di6 n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3di6 s ILE 94 N -2.00 4.08 0.46 -0.61 -4.36 -1.26 -5.10 121.20 112.41 3di6 s ILE 94 Ca 0.00 -1.11 -0.24 0.00 -0.26 0.00 0.00 60.65 59.04 3di6 s ILE 94 Cb 0.00 -3.01 -0.07 0.00 1.25 0.00 0.00 42.46 40.63 3di6 s ILE 94 CO 0.00 0.01 1.24 -2.84 0.24 0.00 0.00 174.94 173.59 3di6 s PRO 95 N -2.66 3.70 -0.17 0.37 0.02 -1.26 -5.02 135.00 129.97 3di6 s PRO 95 Ca 0.28 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 3di6 s PRO 95 Cb -0.11 -2.49 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 3di6 s PRO 95 CO 0.20 -0.66 0.18 -1.58 -0.33 0.00 0.00 177.00 174.81 3di6 s HIS 96 N -1.41 3.46 0.30 6.54 2.46 -1.26 -5.01 115.29 120.38 3di6 s HIS 96 Ca 0.63 0.44 0.06 0.00 0.47 0.00 0.00 55.06 56.67 3di6 s HIS 96 Cb -0.34 -2.18 0.82 0.00 -0.13 0.00 0.00 32.58 30.75 3di6 s HIS 96 CO 0.42 0.35 1.68 -1.35 -2.47 0.00 0.00 174.74 173.36 3di6 h PRO 97 N 6.39 0.33 -0.77 2.88 0.11 -1.97 0.26 132.00 139.23 3di6 h PRO 97 Ca -0.43 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.88 3di6 h PRO 97 Cb 1.17 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3di6 h PRO 97 CO 0.73 0.22 0.57 0.00 -0.21 0.00 0.00 178.00 179.31 3di6 h ALA 98 N 1.77 2.71 0.00 -0.75 0.00 -1.81 0.79 119.26 121.96 3di6 h ALA 98 Ca 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3di6 h ALA 98 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3di6 h ALA 98 CO -0.58 -0.97 -0.03 0.78 0.00 0.00 0.00 179.25 178.45 3di6 h GLY 99 N 0.00 0.00 -4.32 0.00 0.00 -0.72 -3.29 103.07 94.74 3di6 h GLY 99 Ca 0.37 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.17 3di6 h GLY 99 CO -0.00 0.00 0.54 1.08 0.00 0.00 0.00 176.54 178.16 3di6 s LEU 100 N -4.89 4.41 0.22 3.11 1.43 0.27 -4.68 118.68 118.55 3di6 s LEU 100 Ca 0.10 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 3di6 s LEU 100 Cb 0.11 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3di6 s LEU 100 CO 0.62 -0.40 1.04 -0.75 0.23 0.00 0.00 176.35 177.09 3di6 s LYS 101 N 0.44 4.69 0.05 1.70 2.20 -1.26 -0.18 119.74 127.38 3di6 s LYS 101 Ca 0.55 1.66 -0.31 0.00 -0.36 0.00 0.00 55.97 57.51 3di6 s LYS 101 Cb -0.30 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 3di6 s LYS 101 CO 0.32 0.25 1.51 0.21 -0.36 0.00 0.00 175.35 177.29 3di6 s LYS 102 N -0.89 4.25 0.04 4.03 2.20 -1.25 -4.89 119.74 123.23 3di6 s LYS 102 Ca 0.45 2.15 0.01 0.00 -0.36 0.00 0.00 55.97 58.23 3di6 s LYS 102 Cb -0.29 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3di6 s LYS 102 CO 0.36 -0.63 0.07 0.15 -0.36 0.00 0.00 175.35 174.94 3di6 s LYS 103 N 2.28 2.95 0.22 4.03 -0.14 -1.26 -4.98 119.74 122.84 3di6 s LYS 103 Ca 0.68 -0.60 -0.08 0.00 -1.36 0.00 0.00 55.97 54.62 3di6 s LYS 103 Cb -0.36 -2.77 0.18 0.00 -1.68 0.00 0.00 37.83 33.19 3di6 s LYS 103 CO 0.30 0.61 1.82 -0.22 -0.76 0.00 0.00 175.35 177.09 3di6 h LYS 104 N 3.74 1.19 -4.40 1.68 3.64 -1.56 -3.44 116.57 117.42 3di6 h LYS 104 Ca -0.48 -0.17 -0.30 0.00 -1.27 0.00 0.00 60.65 58.43 3di6 h LYS 104 Cb 1.17 -0.22 -0.26 0.00 -0.41 0.00 0.00 32.23 32.52 3di6 h LYS 104 CO 0.63 0.91 -0.75 -1.12 -2.27 0.00 0.00 179.45 176.85 3di6 s SER 105 N -6.24 0.69 -0.03 4.20 0.01 -0.62 -5.02 113.70 106.70 3di6 s SER 105 Ca -0.13 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 3di6 s SER 105 Cb 0.16 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.39 3di6 s SER 105 CO 0.83 -0.04 0.02 -0.69 0.41 0.00 0.00 173.24 173.77 3di6 s VAL 106 N -0.60 0.04 0.09 3.43 1.01 -1.26 -0.85 120.40 122.26 3di6 s VAL 106 Ca -0.03 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3di6 s VAL 106 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 3di6 s VAL 106 CO 0.00 0.13 -0.23 -0.89 0.00 0.00 0.00 175.10 174.11 3di6 s THR 107 N 1.27 2.47 -0.21 3.92 2.01 0.11 -4.75 115.64 120.46 3di6 s THR 107 Ca -0.06 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.37 3di6 s THR 107 Cb -0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3di6 s THR 107 CO -0.03 0.22 0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 3di6 s VAL 108 N -0.98 4.75 -0.14 3.82 1.01 -1.26 -0.32 120.40 127.27 3di6 s VAL 108 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 3di6 s VAL 108 Cb -0.10 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3di6 s VAL 108 CO 0.06 0.41 -0.12 -0.76 0.00 0.00 0.00 175.10 174.68 3di6 s LEU 109 N 0.82 2.73 -0.24 3.92 1.43 0.21 -4.26 118.68 123.28 3di6 s LEU 109 Ca 0.04 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3di6 s LEU 109 Cb -0.13 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3di6 s LEU 109 CO 0.02 0.15 0.04 1.51 0.23 0.00 0.00 176.35 178.30 3di6 s ASP 110 N 0.46 4.93 0.04 2.29 -4.77 -1.26 -0.12 116.67 118.23 3di6 s ASP 110 Ca -0.09 -0.26 -0.30 0.00 -3.30 0.00 0.00 52.55 48.59 3di6 s ASP 110 Cb -0.16 -1.88 -0.07 0.00 -1.09 0.00 0.00 42.92 39.73 3di6 s ASP 110 CO 0.05 -0.03 1.49 -0.69 0.70 0.00 0.00 175.17 176.68 3di6 s VAL 111 N 1.58 3.42 0.10 2.11 1.01 0.56 -4.25 120.40 124.93 3di6 s VAL 111 Ca 0.06 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 62.63 3di6 s VAL 111 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3di6 s VAL 111 CO 0.02 0.01 0.86 -0.83 0.00 0.00 0.00 175.10 175.16 3di6 s GLY 112 N 1.98 2.92 -1.40 4.51 0.00 -0.87 -4.00 107.32 110.46 3di6 s GLY 112 Ca 0.67 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 3di6 s GLY 112 CO 0.29 1.24 0.39 1.22 0.00 0.00 0.00 173.10 176.24 3di6 n ASP 113 N 2.59 -0.50 -0.14 1.64 9.92 -1.26 -4.62 116.55 124.18 3di6 n ASP 113 Ca -0.01 -1.04 -0.07 0.00 -0.53 0.00 0.00 54.79 53.14 3di6 n ASP 113 Cb 0.49 -2.88 -0.05 0.00 -0.64 0.00 0.00 41.12 38.04 3di6 n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3di6 h ALA 114 N 0.85 -0.43 -0.18 2.24 0.00 -1.97 -0.86 119.26 118.91 3di6 h ALA 114 Ca -0.64 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.31 3di6 h ALA 114 Cb 1.38 1.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.21 3di6 h ALA 114 CO 0.62 -0.61 0.08 1.88 0.00 0.00 0.00 179.25 181.23 3di6 h TYR 115 N -0.11 0.15 0.00 0.00 0.99 -1.90 -2.34 116.97 113.75 3di6 h TYR 115 Ca 0.06 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3di6 h TYR 115 Cb 0.27 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.96 3di6 h TYR 115 CO -0.81 0.08 0.00 1.19 -0.00 0.00 0.00 178.16 178.62 3di6 n PHE 116 N -5.02 0.69 1.25 4.88 3.01 -1.01 -1.34 117.46 119.91 3di6 n PHE 116 Ca -0.03 0.29 0.07 0.00 1.01 0.00 0.00 57.45 58.79 3di6 n PHE 116 Cb 0.06 -0.97 0.26 0.00 -0.01 0.00 0.00 39.48 38.82 3di6 n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3di6 n SER 117 N -2.14 1.40 -4.09 4.37 7.64 -0.36 -4.70 113.62 115.73 3di6 n SER 117 Ca 0.01 -1.83 -0.27 0.00 1.01 0.00 0.00 58.87 57.79 3di6 n SER 117 Cb 0.17 -0.14 -0.17 0.00 -1.01 0.00 0.00 64.21 63.07 3di6 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3di6 s VAL 118 N -1.73 1.47 0.43 0.44 1.01 -0.45 -0.45 120.40 121.13 3di6 s VAL 118 Ca 0.25 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 3di6 s VAL 118 Cb 0.13 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 3di6 s VAL 118 CO 0.19 0.43 1.13 -2.16 0.00 0.00 0.00 175.10 174.69 3di6 s PRO 119 N 0.57 3.92 0.06 2.72 0.04 -1.26 -1.78 135.00 139.27 3di6 s PRO 119 Ca -0.16 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 3di6 s PRO 119 Cb -0.17 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 3di6 s PRO 119 CO 0.05 -0.40 0.40 -1.17 0.04 0.00 0.00 177.00 175.92 3di6 s LEU 120 N -2.85 4.38 -0.15 -3.56 2.96 0.07 -4.65 118.68 114.88 3di6 s LEU 120 Ca 0.61 0.82 -0.40 0.00 -0.22 0.00 0.00 54.13 54.94 3di6 s LEU 120 Cb -0.27 -2.88 -0.17 0.00 0.50 0.00 0.00 46.19 43.38 3di6 s LEU 120 CO 0.33 0.21 1.49 -0.67 -1.32 0.00 0.00 176.35 176.39 3di6 n ASP 121 N 1.13 1.63 -0.29 3.68 2.03 -1.26 -4.80 116.55 118.67 3di6 n ASP 121 Ca -0.10 1.12 0.02 0.00 0.52 0.00 0.00 54.79 56.36 3di6 n ASP 121 Cb 0.52 -1.09 0.16 0.00 -0.72 0.00 0.00 41.12 40.00 3di6 n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3di6 h GLU 122 N 5.41 0.77 0.00 -0.67 4.81 -1.95 -0.92 114.58 122.03 3di6 h GLU 122 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3di6 h GLU 122 Cb 1.35 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3di6 h GLU 122 CO 0.86 0.51 0.00 -0.44 -0.73 0.00 0.00 179.01 179.21 3di6 h ASP 123 N 0.79 0.00 0.34 1.04 3.45 -1.95 -3.09 116.42 117.00 3di6 h ASP 123 Ca 0.39 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.72 3di6 h ASP 123 Cb 0.34 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3di6 h ASP 123 CO -0.24 0.00 -1.78 0.33 -1.57 0.00 0.00 179.24 175.98 3di6 n PHE 124 N -2.74 0.42 -0.33 4.55 -0.00 -0.40 -4.59 117.46 114.37 3di6 n PHE 124 Ca 0.01 0.13 0.18 0.00 -0.00 0.00 0.00 57.45 57.78 3di6 n PHE 124 Cb 0.26 -0.85 0.42 0.00 -0.00 0.00 0.00 39.48 39.31 3di6 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3di6 h ARG 125 N 0.00 0.53 -0.53 -4.13 3.08 -1.34 -0.71 114.38 111.29 3di6 h ARG 125 Ca -0.17 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 59.98 3di6 h ARG 125 Cb 1.45 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 3di6 h ARG 125 CO 0.02 0.35 0.37 1.57 -1.07 0.00 0.00 179.97 181.21 3di6 h LYS 126 N 0.55 0.14 0.00 0.04 2.10 -1.81 -0.28 116.57 117.31 3di6 h LYS 126 Ca 0.60 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3di6 h LYS 126 Cb 1.24 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3di6 h LYS 126 CO -0.37 0.09 0.00 0.66 -2.00 0.00 0.00 179.45 177.83 3di6 n TYR 127 N -4.42 0.59 -0.08 0.07 4.01 -0.27 -2.97 117.16 114.08 3di6 n TYR 127 Ca 0.09 0.21 0.05 0.00 -0.16 0.00 0.00 57.90 58.08 3di6 n TYR 127 Cb 0.51 -0.83 0.24 0.00 -0.31 0.00 0.00 39.34 38.95 3di6 n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3di6 n THR 128 N -2.01 1.58 -1.96 -0.72 -2.24 -0.12 -4.70 114.28 104.11 3di6 n THR 128 Ca 0.04 -0.83 -0.41 0.00 -2.27 0.00 0.00 64.05 60.58 3di6 n THR 128 Cb 0.29 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3di6 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3di6 s ALA 129 N -2.01 3.59 0.10 6.98 0.00 -1.16 -4.16 121.76 125.11 3di6 s ALA 129 Ca 0.33 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.63 3di6 s ALA 129 Cb 0.24 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3di6 s ALA 129 CO 0.11 -0.82 0.14 -0.59 0.00 0.00 0.00 175.76 174.60 3di6 s PHE 130 N -0.63 0.38 -0.12 0.00 -0.71 -0.58 -0.58 117.98 115.74 3di6 s PHE 130 Ca 0.55 -0.82 -0.00 0.00 -1.04 0.00 0.00 56.93 55.62 3di6 s PHE 130 Cb -0.43 -0.19 0.02 0.00 -1.21 0.00 0.00 43.02 41.21 3di6 s PHE 130 CO 0.52 -0.54 -0.10 0.99 -1.34 0.00 0.00 175.22 174.75 3di6 s THR 131 N -3.92 1.17 -0.41 -4.49 2.01 -1.26 -1.88 115.64 106.87 3di6 s THR 131 Ca 0.10 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 3di6 s THR 131 Cb 0.06 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.44 3di6 s THR 131 CO -0.07 0.39 1.05 -0.63 -0.69 0.00 0.00 174.62 174.67 3di6 s ILE 132 N 1.59 4.40 0.67 1.82 1.01 0.37 -4.70 121.20 126.36 3di6 s ILE 132 Ca 0.04 1.32 -0.13 0.00 0.00 0.00 0.00 60.65 61.88 3di6 s ILE 132 Cb -0.13 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 37.87 3di6 s ILE 132 CO -0.08 -0.73 1.07 -2.16 0.00 0.00 0.00 174.94 173.04 3di6 s PRO 133 N 3.93 2.93 0.67 2.79 0.04 -1.26 -1.20 135.00 142.91 3di6 s PRO 133 Ca 0.44 1.13 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 3di6 s PRO 133 Cb -0.10 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3di6 s PRO 133 CO 0.23 -1.11 1.03 -1.54 0.04 0.00 0.00 177.00 175.65 3di6 s SER 134 N -3.23 5.33 0.08 6.66 1.04 -1.26 -4.84 113.70 117.48 3di6 s SER 134 Ca 0.62 0.86 -0.33 0.00 0.48 0.00 0.00 55.95 57.58 3di6 s SER 134 Cb -0.16 -1.68 -0.13 0.00 0.10 0.00 0.00 66.02 64.15 3di6 s SER 134 CO 0.47 -1.33 1.73 -0.38 0.98 0.00 0.00 173.24 174.71 3di6 n ILE 135 N -2.88 0.25 -2.21 -1.02 5.41 -1.26 -0.83 119.36 116.82 3di6 n ILE 135 Ca 0.06 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 3di6 n ILE 135 Cb 0.58 -1.77 -0.02 0.00 -0.71 0.00 0.00 39.64 37.72 3di6 n ILE 135 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3di6 n ASN 136 N 4.83 -3.77 -1.00 4.38 3.02 -1.26 -2.28 115.26 119.18 3di6 n ASN 136 Ca 0.19 0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.86 3di6 n ASN 136 Cb 0.31 -3.27 -0.04 0.00 -0.61 0.00 0.00 39.78 36.17 3di6 n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3di6 n ASN 137 N -1.51 -3.40 0.01 6.41 4.13 -0.01 -4.85 115.26 116.04 3di6 n ASN 137 Ca -0.14 0.23 -0.10 0.00 1.68 0.00 0.00 54.58 56.25 3di6 n ASN 137 Cb 0.57 -2.91 -0.03 0.00 -1.54 0.00 0.00 39.78 35.86 3di6 n ASN 137 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3di6 h GLU 138 N 0.00 -0.18 -6.14 3.52 4.39 -1.67 -3.44 114.58 111.05 3di6 h GLU 138 Ca -0.19 0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.96 3di6 h GLU 138 Cb 0.76 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.35 3di6 h GLU 138 CO 0.28 -0.12 -0.63 0.95 -1.16 0.00 0.00 179.01 178.33 3di6 s THR 139 N -6.15 3.11 0.08 1.13 -4.23 -1.26 -5.09 115.64 103.23 3di6 s THR 139 Ca -0.14 -1.94 -0.36 0.00 -1.18 0.00 0.00 61.69 58.07 3di6 s THR 139 Cb 0.10 -2.80 -0.18 0.00 1.34 0.00 0.00 72.50 70.95 3di6 s THR 139 CO 0.67 -0.31 0.97 -2.65 -0.54 0.00 0.00 174.62 172.77 3di6 n PRO 140 N -0.92 0.25 -1.77 3.99 -0.02 -1.26 -4.21 135.00 131.05 3di6 n PRO 140 Ca -0.05 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 3di6 n PRO 140 Cb 0.60 -1.48 0.14 0.00 -0.02 0.00 0.00 33.50 32.74 3di6 n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3di6 s GLY 141 N -0.20 1.64 -0.07 -1.23 0.00 -1.26 -4.66 107.32 101.54 3di6 s GLY 141 Ca 0.82 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 44.55 3di6 s GLY 141 CO 0.55 -0.19 0.52 -0.42 0.00 0.00 0.00 173.10 173.56 3di6 s ILE 142 N -3.57 5.09 -0.11 0.90 1.01 -0.34 -4.89 121.20 119.29 3di6 s ILE 142 Ca 0.66 1.05 0.01 0.00 0.00 0.00 0.00 60.65 62.38 3di6 s ILE 142 Cb -0.10 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3di6 s ILE 142 CO 0.52 0.37 -0.15 -0.13 0.00 0.00 0.00 174.94 175.55 3di6 s ARG 143 N 0.25 3.16 0.24 2.79 1.81 -1.26 -0.48 118.95 125.47 3di6 s ARG 143 Ca 0.28 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.61 3di6 s ARG 143 Cb -0.16 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 31.75 3di6 s ARG 143 CO 0.13 0.29 -0.00 0.71 -0.68 0.00 0.00 175.30 175.74 3di6 s TYR 144 N 0.15 1.63 0.04 -0.53 1.51 -0.78 -1.63 117.35 117.73 3di6 s TYR 144 Ca -0.08 -0.91 -0.00 0.00 -1.01 0.00 0.00 57.07 55.06 3di6 s TYR 144 Cb -0.15 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 3di6 s TYR 144 CO 0.05 -0.01 -0.03 1.14 -1.11 0.00 0.00 175.55 175.59 3di6 s GLN 145 N -3.86 0.49 0.19 -0.62 -2.07 -0.70 -1.53 119.66 111.57 3di6 s GLN 145 Ca 0.29 -0.97 -0.27 0.00 -1.82 0.00 0.00 55.36 52.60 3di6 s GLN 145 Cb 0.06 0.15 -0.08 0.00 -1.09 0.00 0.00 33.01 32.05 3di6 s GLN 145 CO 0.10 -0.08 0.84 0.71 -1.32 0.00 0.00 175.29 175.54 3di6 s TYR 146 N -2.86 3.93 -1.68 9.60 2.02 -1.26 -1.65 117.35 125.45 3di6 s TYR 146 Ca -0.03 1.74 0.22 0.00 -0.37 0.00 0.00 57.07 58.63 3di6 s TYR 146 Cb 0.00 -2.85 -0.06 0.00 -0.40 0.00 0.00 41.96 38.65 3di6 s TYR 146 CO -0.06 0.48 1.04 0.09 -1.57 0.00 0.00 175.55 175.53 3di6 n ASN 147 N 1.63 1.65 -4.26 2.29 3.02 0.01 -4.69 115.26 114.92 3di6 n ASN 147 Ca -0.04 -1.32 -0.15 0.00 -0.03 0.00 0.00 54.58 53.05 3di6 n ASN 147 Cb 0.48 0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 40.19 3di6 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3di6 s VAL 148 N -2.66 0.31 -0.21 2.41 -7.23 -1.24 -0.75 120.40 111.03 3di6 s VAL 148 Ca 0.15 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 3di6 s VAL 148 Cb 0.17 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 3di6 s VAL 148 CO 0.67 0.00 2.09 -0.76 -0.31 0.00 0.00 175.10 176.80 3di6 s LEU 149 N -3.25 3.58 0.61 1.32 1.43 -0.73 -4.57 118.68 117.07 3di6 s LEU 149 Ca 0.38 1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 3di6 s LEU 149 Cb 0.07 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 3di6 s LEU 149 CO 0.13 -1.79 1.12 -2.84 0.23 0.00 0.00 176.35 173.20 3di6 s PRO 150 N 5.96 3.00 0.06 1.29 0.02 -1.26 -4.12 135.00 139.95 3di6 s PRO 150 Ca 0.94 1.49 -0.31 0.00 0.02 0.00 0.00 61.00 63.15 3di6 s PRO 150 Cb -0.32 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 3di6 s PRO 150 CO 0.35 -1.11 1.30 -1.14 -0.33 0.00 0.00 177.00 176.08 3di6 s GLN 151 N -3.77 4.36 0.00 5.54 2.00 -1.26 -3.18 119.66 123.35 3di6 s GLN 151 Ca 0.69 1.91 0.00 0.00 -2.00 0.00 0.00 55.36 55.96 3di6 s GLN 151 Cb -0.22 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.22 3di6 s GLN 151 CO 0.36 -0.39 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 3di6 n GLY 152 N 3.40 1.35 3.79 2.59 0.00 -1.26 -4.74 105.19 110.32 3di6 n GLY 152 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3di6 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3di6 s TRP 153 N -2.45 3.59 0.49 1.61 -0.00 -1.19 -4.75 118.94 116.24 3di6 s TRP 153 Ca 0.00 1.70 0.17 0.00 -0.00 0.00 0.00 56.10 57.97 3di6 s TRP 153 Cb 0.00 -2.88 1.20 0.00 -0.00 0.00 0.00 33.47 31.79 3di6 s TRP 153 CO 0.00 0.14 2.09 -0.22 -0.00 0.00 0.00 176.95 178.96 3di6 h LYS 154 N 2.86 0.00 0.00 5.86 3.64 -1.93 -2.67 116.57 124.34 3di6 h LYS 154 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3di6 h LYS 154 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3di6 h LYS 154 CO 0.64 0.08 -0.60 0.41 -2.27 0.00 0.00 179.45 177.71 3di6 n GLY 155 N -1.28 -1.21 0.10 5.01 0.00 -1.26 -4.50 105.19 102.04 3di6 n GLY 155 Ca -0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3di6 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3di6 h SER 156 N 0.00 -0.12 -0.64 1.61 0.02 -1.77 0.89 113.55 113.54 3di6 h SER 156 Ca 0.00 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3di6 h SER 156 Cb 0.52 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 3di6 h SER 156 CO 0.00 0.05 0.38 -0.65 -1.14 0.00 0.00 176.83 175.47 3di6 h PRO 157 N -0.29 0.72 -0.21 3.45 0.11 -1.79 -0.04 132.00 133.96 3di6 h PRO 157 Ca -0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3di6 h PRO 157 Cb 0.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3di6 h PRO 157 CO 0.02 0.48 -0.10 0.00 -0.21 0.00 0.00 178.00 178.19 3di6 h ALA 158 N 1.29 0.29 -0.32 -0.75 0.00 -1.78 -2.46 119.26 115.54 3di6 h ALA 158 Ca 0.26 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3di6 h ALA 158 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3di6 h ALA 158 CO -0.12 0.13 -0.40 0.82 0.00 0.00 0.00 179.25 179.68 3di6 h ILE 159 N 0.14 1.28 0.48 0.00 2.04 -0.71 -2.24 117.51 118.52 3di6 h ILE 159 Ca 0.05 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 3di6 h ILE 159 Cb 0.60 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3di6 h ILE 159 CO 0.03 0.52 -0.33 0.15 0.00 0.00 0.00 178.15 178.52 3di6 h PHE 160 N 0.63 -0.86 -0.63 1.37 3.57 -1.03 -0.22 116.94 119.77 3di6 h PHE 160 Ca 0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3di6 h PHE 160 Cb 0.96 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3di6 h PHE 160 CO 0.05 -0.49 0.33 1.96 -2.23 0.00 0.00 178.31 177.94 3di6 h GLN 161 N -0.78 0.87 -0.52 1.11 1.08 -1.40 0.84 115.11 116.31 3di6 h GLN 161 Ca -0.05 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 3di6 h GLN 161 Cb 0.65 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3di6 h GLN 161 CO 0.04 0.65 -0.07 1.03 -0.95 0.00 0.00 178.83 179.52 3di6 h SER 162 N 0.88 0.97 0.26 1.46 0.87 -1.33 -1.21 113.55 115.44 3di6 h SER 162 Ca 0.22 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3di6 h SER 162 Cb 0.04 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3di6 h SER 162 CO -0.03 1.08 -0.12 0.28 -0.53 0.00 0.00 176.83 177.50 3di6 h SER 163 N 0.84 -0.29 -0.94 6.23 0.02 -0.00 -1.51 113.55 117.90 3di6 h SER 163 Ca 0.14 -0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.23 3di6 h SER 163 Cb 0.63 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.16 3di6 h SER 163 CO 0.04 -0.18 0.60 -0.03 -1.14 0.00 0.00 176.83 176.11 3di6 h MET 164 N -0.37 0.72 -0.15 3.45 -1.53 -0.78 -0.27 114.93 116.00 3di6 h MET 164 Ca -0.04 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.13 3di6 h MET 164 Cb 0.29 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.17 3di6 h MET 164 CO 0.06 0.47 -0.10 1.15 0.14 0.00 0.00 176.91 178.63 3di6 h THR 165 N 0.74 1.33 -0.52 -0.77 2.02 -0.91 0.94 112.91 115.74 3di6 h THR 165 Ca 0.49 -1.19 0.06 0.00 0.77 0.00 0.00 66.41 66.54 3di6 h THR 165 Cb 0.76 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 3di6 h THR 165 CO -0.25 0.35 0.24 0.11 0.37 0.00 0.00 175.52 176.34 3di6 h LYS 166 N -0.01 0.44 -0.63 6.66 1.57 -0.88 -0.41 116.57 123.32 3di6 h LYS 166 Ca 0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3di6 h LYS 166 Cb 0.59 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3di6 h LYS 166 CO 0.03 0.29 0.25 0.82 -0.57 0.00 0.00 179.45 180.27 3di6 h ILE 167 N 0.46 1.22 0.01 1.86 2.04 -0.89 -3.00 117.51 119.20 3di6 h ILE 167 Ca 0.24 -0.69 -0.20 0.00 1.00 0.00 0.00 64.86 65.21 3di6 h ILE 167 Cb 0.19 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3di6 h ILE 167 CO -0.20 0.28 -0.93 -0.07 0.00 0.00 0.00 178.15 177.23 3di6 h LEU 168 N 0.90 0.04 -0.93 1.44 3.38 -0.43 -3.39 115.31 116.33 3di6 h LEU 168 Ca 0.21 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3di6 h LEU 168 Cb 0.17 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.77 3di6 h LEU 168 CO -0.02 0.95 -0.43 -0.08 0.09 0.00 0.00 178.44 178.94 3di6 h GLU 169 N 0.01 -0.03 -0.24 1.13 4.81 -0.93 -0.80 114.58 118.52 3di6 h GLU 169 Ca -0.02 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3di6 h GLU 169 Cb 1.63 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 3di6 h GLU 169 CO 0.12 -0.02 0.09 -1.00 -0.73 0.00 0.00 179.01 177.48 3di6 h PRO 170 N -0.04 0.21 -0.65 0.92 0.13 -1.77 -0.32 132.00 130.49 3di6 h PRO 170 Ca 0.28 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.49 3di6 h PRO 170 Cb 0.55 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.57 3di6 h PRO 170 CO -0.93 0.14 0.30 0.35 -0.23 0.00 0.00 178.00 177.62 3di6 h PHE 171 N 0.21 0.53 -0.24 1.56 3.04 -1.45 -0.99 116.94 119.59 3di6 h PHE 171 Ca 0.11 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.11 3di6 h PHE 171 Cb 0.06 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 3di6 h PHE 171 CO -0.12 0.18 0.07 0.00 -2.02 0.00 0.00 178.31 176.43 3di6 h ARG 172 N 0.52 0.17 -0.99 1.11 3.08 -0.81 -1.12 114.38 116.34 3di6 h ARG 172 Ca 0.32 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.38 3di6 h ARG 172 Cb 0.34 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3di6 h ARG 172 CO -0.27 0.11 0.65 0.87 -1.07 0.00 0.00 179.97 180.27 3di6 h LYS 173 N 0.17 1.26 -0.29 0.04 1.57 -0.17 -2.24 116.57 116.91 3di6 h LYS 173 Ca 0.11 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3di6 h LYS 173 Cb 0.09 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3di6 h LYS 173 CO -0.12 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 3di6 n GLN 174 N -4.41 1.93 -3.03 3.15 10.64 -0.46 -4.16 117.38 121.03 3di6 n GLN 174 Ca 0.13 -1.42 -0.15 0.00 -1.83 0.00 0.00 57.00 53.72 3di6 n GLN 174 Cb 0.05 -1.39 -0.01 0.00 -0.86 0.00 0.00 30.24 28.04 3di6 n GLN 174 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3di6 n ASN 175 N 0.64 0.86 0.04 2.61 3.02 -0.44 -5.00 115.26 116.98 3di6 n ASN 175 Ca 0.16 -2.95 0.04 0.00 -0.03 0.00 0.00 54.58 51.80 3di6 n ASN 175 Cb 0.38 -0.49 0.20 0.00 -0.61 0.00 0.00 39.78 39.25 3di6 n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3di6 n PRO 176 N 0.18 0.04 0.00 3.52 -0.04 -1.09 -1.26 135.00 136.35 3di6 n PRO 176 Ca 0.20 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 3di6 n PRO 176 Cb 0.71 -1.62 0.14 0.00 -0.04 0.00 0.00 33.50 32.69 3di6 n PRO 176 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3di6 n ASP 177 N -1.70 1.26 -4.81 3.54 8.00 -1.26 -4.89 116.55 116.69 3di6 n ASP 177 Ca 0.00 -1.01 -0.37 0.00 0.71 0.00 0.00 54.79 54.12 3di6 n ASP 177 Cb 0.05 0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3di6 n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3di6 s ILE 178 N -2.67 4.63 -0.18 0.53 -1.09 -0.39 -4.66 121.20 117.38 3di6 s ILE 178 Ca 0.17 1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 59.83 3di6 s ILE 178 Cb 0.18 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 3di6 s ILE 178 CO 0.63 0.38 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.96 3di6 s VAL 179 N -1.31 3.27 -0.16 2.92 1.01 -0.21 -4.98 120.40 120.94 3di6 s VAL 179 Ca 0.36 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3di6 s VAL 179 Cb -0.18 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3di6 s VAL 179 CO 0.21 0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 174.95 3di6 s ILE 180 N 0.98 2.20 -0.17 2.22 1.01 -1.26 -0.51 121.20 125.68 3di6 s ILE 180 Ca -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3di6 s ILE 180 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3di6 s ILE 180 CO -0.00 0.54 -0.06 -0.47 0.00 0.00 0.00 174.94 174.95 3di6 s TYR 181 N 0.96 2.96 -0.16 3.97 5.04 -0.16 -4.95 117.35 125.01 3di6 s TYR 181 Ca -0.03 -0.56 -0.14 0.00 -2.44 0.00 0.00 57.07 53.90 3di6 s TYR 181 Cb -0.15 -1.99 -0.05 0.00 0.35 0.00 0.00 41.96 40.13 3di6 s TYR 181 CO -0.04 -0.24 0.28 -0.65 -1.34 0.00 0.00 175.55 173.56 3di6 s GLN 182 N 0.73 4.23 -0.28 4.97 -0.21 -1.26 -0.95 119.66 126.89 3di6 s GLN 182 Ca -0.03 0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.43 3di6 s GLN 182 Cb -0.15 -3.42 0.13 0.00 1.00 0.00 0.00 33.01 30.58 3di6 s GLN 182 CO 0.02 0.26 0.29 -0.47 -2.12 0.00 0.00 175.29 173.27 3di6 s TYR 183 N 0.41 -0.47 0.00 0.91 5.04 -0.33 -5.02 117.35 117.89 3di6 s TYR 183 Ca 0.16 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 3di6 s TYR 183 Cb -0.13 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.74 3di6 s TYR 183 CO 0.04 -0.90 0.00 -1.33 -1.34 0.00 0.00 175.55 172.02 3di6 n MET 184 N 5.31 0.00 0.00 4.97 2.81 -1.26 -0.82 117.12 128.13 3di6 n MET 184 Ca -0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.98 3di6 n MET 184 Cb 0.47 0.00 0.61 0.00 -0.71 0.00 0.00 33.22 33.58 3di6 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3di6 n ASP 185 N 6.19 0.00 -4.79 7.83 9.92 -1.26 -4.88 116.55 129.56 3di6 n ASP 185 Ca 0.00 -0.19 -0.29 0.00 -0.53 0.00 0.00 54.79 53.78 3di6 n ASP 185 Cb 0.00 -0.23 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 3di6 n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3di6 s ASP 186 N -2.45 5.53 -0.08 -2.24 -0.00 -0.00 -0.32 116.67 117.11 3di6 s ASP 186 Ca 0.25 -0.05 0.01 0.00 -0.00 0.00 0.00 52.55 52.76 3di6 s ASP 186 Cb 0.16 -1.47 0.02 0.00 -0.00 0.00 0.00 42.92 41.62 3di6 s ASP 186 CO 0.34 0.13 -0.10 -0.76 -0.00 0.00 0.00 175.17 174.78 3di6 s LEU 187 N -2.65 1.48 -0.29 1.23 1.02 0.83 -1.18 118.68 119.12 3di6 s LEU 187 Ca 0.30 -0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.11 3di6 s LEU 187 Cb -0.11 -0.81 0.02 0.00 0.02 0.00 0.00 46.19 45.31 3di6 s LEU 187 CO 0.23 -0.02 0.04 -0.31 0.02 0.00 0.00 176.35 176.31 3di6 s TYR 188 N 1.01 3.14 -0.19 0.29 1.51 -0.13 -0.62 117.35 122.37 3di6 s TYR 188 Ca -0.08 -1.20 -0.02 0.00 -1.01 0.00 0.00 57.07 54.76 3di6 s TYR 188 Cb -0.15 -2.20 -0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3di6 s TYR 188 CO -0.00 -0.64 -0.11 0.08 -1.11 0.00 0.00 175.55 173.77 3di6 s VAL 189 N 1.44 2.90 0.05 0.71 1.01 0.56 -0.99 120.40 126.08 3di6 s VAL 189 Ca 0.01 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3di6 s VAL 189 Cb -0.17 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3di6 s VAL 189 CO 0.01 0.48 -0.19 -0.83 0.00 0.00 0.00 175.10 174.57 3di6 s GLY 190 N 1.24 1.02 0.20 4.51 0.00 0.33 0.07 107.32 114.70 3di6 s GLY 190 Ca 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.65 3di6 s GLY 190 CO -0.05 -0.95 0.33 -1.35 0.00 0.00 0.00 173.10 171.08 3di6 s SER 191 N -1.23 0.00 -0.46 1.64 1.04 -0.03 -1.04 113.70 113.62 3di6 s SER 191 Ca 0.05 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.56 3di6 s SER 191 Cb -0.09 0.48 0.46 0.00 0.10 0.00 0.00 66.02 66.98 3di6 s SER 191 CO 0.02 -0.97 1.60 0.47 0.98 0.00 0.00 173.24 175.34 3di6 n ASP 192 N -0.28 6.02 -4.93 7.02 8.00 -1.26 -1.37 116.55 129.75 3di6 n ASP 192 Ca -0.04 -3.77 -0.25 0.00 0.71 0.00 0.00 54.79 51.44 3di6 n ASP 192 Cb 0.63 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 3di6 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3di6 s LEU 193 N -3.68 3.96 0.52 0.64 1.43 -1.26 -4.91 118.68 115.38 3di6 s LEU 193 Ca 0.57 0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 54.02 3di6 s LEU 193 Cb 0.46 -3.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.18 3di6 s LEU 193 CO 0.02 -0.32 1.21 -0.70 0.23 0.00 0.00 176.35 176.78 3di6 s GLU 194 N -4.26 3.41 0.28 1.70 2.56 -1.26 -4.65 118.70 116.47 3di6 s GLU 194 Ca 0.42 1.86 0.02 0.00 0.00 0.00 0.00 54.97 57.27 3di6 s GLU 194 Cb -0.10 -2.22 0.69 0.00 2.00 0.00 0.00 34.13 34.50 3di6 s GLU 194 CO 0.37 -0.86 1.69 0.97 -0.56 0.00 0.00 175.26 176.86 3di6 h ILE 195 N 1.49 0.45 -0.36 -3.70 6.09 -1.97 0.78 117.51 120.28 3di6 h ILE 195 Ca -0.50 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 62.82 3di6 h ILE 195 Cb 1.27 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.62 3di6 h ILE 195 CO 0.58 0.06 0.01 1.23 -3.07 0.00 0.00 178.15 176.96 3di6 h GLY 196 N 0.35 0.67 1.86 8.18 0.00 -2.00 -2.20 103.07 109.94 3di6 h GLY 196 Ca 0.54 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3di6 h GLY 196 CO -0.55 0.45 -0.17 1.46 0.00 0.00 0.00 176.54 177.73 3di6 h GLN 197 N 0.44 0.17 0.11 4.80 4.20 -1.30 -2.63 115.11 120.90 3di6 h GLN 197 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3di6 h GLN 197 Cb 0.45 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3di6 h GLN 197 CO 0.02 0.35 -0.05 1.25 -0.67 0.00 0.00 178.83 179.72 3di6 h HIS 198 N 0.16 -0.13 -0.05 2.96 2.76 -0.76 -2.32 115.15 117.76 3di6 h HIS 198 Ca 0.03 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3di6 h HIS 198 Cb 0.40 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3di6 h HIS 198 CO 0.00 0.17 -0.08 0.00 -1.30 0.00 0.00 177.93 176.72 3di6 h ARG 199 N -0.45 0.07 -0.56 5.26 3.08 -1.30 0.17 114.38 120.66 3di6 h ARG 199 Ca -0.01 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3di6 h ARG 199 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3di6 h ARG 199 CO 0.02 0.16 0.14 1.15 -1.07 0.00 0.00 179.97 180.37 3di6 h THR 200 N 0.07 1.25 -0.40 2.04 2.02 -1.45 -2.22 112.91 114.22 3di6 h THR 200 Ca 0.02 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 3di6 h THR 200 Cb 0.20 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3di6 h THR 200 CO 0.01 0.33 -0.35 0.50 0.37 0.00 0.00 175.52 176.38 3di6 h LYS 201 N 0.81 0.94 -0.99 6.66 1.63 -0.37 -1.88 116.57 123.37 3di6 h LYS 201 Ca 0.18 -0.48 0.01 0.00 -0.85 0.00 0.00 60.65 59.51 3di6 h LYS 201 Cb 0.35 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 3di6 h LYS 201 CO 0.00 1.14 0.66 0.82 -3.45 0.00 0.00 179.45 178.62 3di6 h ILE 202 N 0.77 1.25 -0.26 2.00 1.08 -0.77 -1.66 117.51 119.91 3di6 h ILE 202 Ca 0.07 -0.46 -0.11 0.00 -0.39 0.00 0.00 64.86 63.97 3di6 h ILE 202 Cb 0.95 -0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3di6 h ILE 202 CO 0.09 0.24 -0.31 -0.08 -0.69 0.00 0.00 178.15 177.40 3di6 h GLU 203 N 1.34 0.53 0.00 2.37 4.57 -0.99 0.31 114.58 122.71 3di6 h GLU 203 Ca 0.37 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3di6 h GLU 203 Cb -0.14 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3di6 h GLU 203 CO -0.08 0.78 -0.17 1.05 -1.18 0.00 0.00 179.01 179.41 3di6 h GLU 204 N 0.46 0.00 -0.03 1.92 4.11 -1.15 -1.27 114.58 118.61 3di6 h GLU 204 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.46 3di6 h GLU 204 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3di6 h GLU 204 CO 0.06 0.00 -0.10 1.25 0.07 0.00 0.00 179.01 180.29 3di6 h LEU 205 N 0.00 0.14 -1.21 3.06 5.85 -0.82 -1.18 115.31 121.15 3di6 h LEU 205 Ca 0.00 -0.63 0.07 0.00 0.84 0.00 0.00 57.88 58.16 3di6 h LEU 205 Cb 0.86 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 3di6 h LEU 205 CO 0.00 0.74 0.56 0.03 -0.34 0.00 0.00 178.44 179.43 3di6 h ARG 206 N -0.46 0.92 -0.29 1.25 3.08 -0.85 0.49 114.38 118.52 3di6 h ARG 206 Ca -0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3di6 h ARG 206 Cb 0.73 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3di6 h ARG 206 CO 0.02 0.61 -0.04 1.96 -1.07 0.00 0.00 179.97 181.45 3di6 h GLN 207 N 0.95 0.55 -0.78 0.04 1.08 -1.27 0.70 115.11 116.38 3di6 h GLN 207 Ca 0.37 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 3di6 h GLN 207 Cb 0.24 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 3di6 h GLN 207 CO -0.14 0.72 0.37 1.25 -0.95 0.00 0.00 178.83 180.09 3di6 h HIS 208 N 0.32 1.11 -0.41 2.96 2.76 0.07 0.07 115.15 122.03 3di6 h HIS 208 Ca 0.08 -0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.07 3di6 h HIS 208 Cb 0.50 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3di6 h HIS 208 CO 0.04 0.80 -0.27 -0.07 -1.30 0.00 0.00 177.93 177.13 3di6 h LEU 209 N 1.10 0.90 -0.76 0.26 3.38 0.08 -3.05 115.31 117.22 3di6 h LEU 209 Ca 0.27 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3di6 h LEU 209 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3di6 h LEU 209 CO -0.03 1.11 -0.05 0.25 0.09 0.00 0.00 178.44 179.81 3di6 h LEU 210 N 0.74 0.87 -1.86 1.67 6.46 -0.40 -0.15 115.31 122.64 3di6 h LEU 210 Ca 0.09 -0.25 0.19 0.00 -0.12 0.00 0.00 57.88 57.79 3di6 h LEU 210 Cb 0.82 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 3di6 h LEU 210 CO 0.07 0.96 0.50 0.03 -0.62 0.00 0.00 178.44 179.38 3di6 h ARG 211 N 0.81 0.12 -0.46 1.25 -0.00 -0.91 -1.90 114.38 113.30 3di6 h ARG 211 Ca 0.14 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.98 59.51 3di6 h ARG 211 Cb 0.55 -0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.43 3di6 h ARG 211 CO 0.03 0.08 0.08 0.91 0.00 0.00 0.00 179.97 181.07 3di6 n TRP 212 N -4.38 1.56 -0.59 3.04 7.02 -0.76 -4.82 117.44 118.51 3di6 n TRP 212 Ca 0.14 -1.11 0.00 0.00 -1.02 0.00 0.00 57.50 55.51 3di6 n TRP 212 Cb 0.69 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 3di6 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3di6 n GLY 213 N -0.43 0.71 3.19 6.99 0.00 -0.71 -4.28 105.19 110.66 3di6 n GLY 213 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 3di6 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3di6 s LEU 214 N 0.00 3.57 0.38 0.99 1.43 -0.14 -4.39 118.68 120.52 3di6 s LEU 214 Ca 0.00 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 51.91 3di6 s LEU 214 Cb 0.00 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 3di6 s LEU 214 CO 0.00 -0.20 0.77 0.42 0.23 0.00 0.00 176.35 177.58 3di6 s THR 215 N 1.30 4.72 0.06 5.49 -4.23 -1.26 -2.98 115.64 118.73 3di6 s THR 215 Ca -0.02 0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 61.21 3di6 s THR 215 Cb -0.18 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 3di6 s THR 215 CO -0.02 -0.40 0.17 0.28 -0.54 0.00 0.00 174.62 174.11 3di6 s THR 216 N -2.23 0.13 0.59 3.99 -1.32 -1.26 -2.05 115.64 113.49 3di6 s THR 216 Ca 0.53 -1.09 -0.16 0.00 -1.21 0.00 0.00 61.69 59.76 3di6 s THR 216 Cb -0.10 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3di6 s THR 216 CO 0.25 -0.60 1.06 -2.16 -2.21 0.00 0.00 174.62 170.96 3di6 s PRO 217 N -3.20 3.31 0.94 7.08 0.04 -1.26 -5.02 135.00 136.90 3di6 s PRO 217 Ca -0.00 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 3di6 s PRO 217 Cb 0.02 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.68 3di6 s PRO 217 CO -0.07 -0.82 1.10 -0.51 0.04 0.00 0.00 177.00 176.74 3di6 s ASP 218 N -2.78 3.15 0.38 6.66 1.01 -1.26 -4.76 116.67 119.08 3di6 s ASP 218 Ca 0.64 1.21 0.05 0.00 0.71 0.00 0.00 52.55 55.16 3di6 s ASP 218 Cb -0.16 -1.87 0.76 0.00 1.01 0.00 0.00 42.92 42.66 3di6 s ASP 218 CO 0.37 -2.80 2.03 0.11 0.21 0.00 0.00 175.17 175.09 3di6 h LYS 219 N -1.67 0.67 0.00 8.23 1.57 -1.96 0.14 116.57 123.56 3di6 h LYS 219 Ca -0.52 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3di6 h LYS 219 Cb 1.31 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3di6 h LYS 219 CO 0.58 0.45 0.00 1.63 -0.57 0.00 0.00 179.45 181.54 3di6 n LYS 220 N -4.46 0.06 -0.00 3.15 5.02 -1.26 -2.55 118.16 118.12 3di6 n LYS 220 Ca 0.05 0.35 0.05 0.00 -2.02 0.00 0.00 58.31 56.73 3di6 n LYS 220 Cb 0.06 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 3di6 n LYS 220 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3di6 n HIS 221 N -1.73 0.00 -2.06 2.13 8.25 -0.02 -5.01 115.22 116.77 3di6 n HIS 221 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3di6 n HIS 221 Cb 0.16 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3di6 n HIS 221 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3di6 s GLN 222 N -2.01 4.29 0.46 -0.41 -0.21 -0.82 -4.93 119.66 116.02 3di6 s GLN 222 Ca 0.04 2.24 -0.23 0.00 0.02 0.00 0.00 55.36 57.42 3di6 s GLN 222 Cb 0.08 -3.14 -0.08 0.00 1.00 0.00 0.00 33.01 30.87 3di6 s GLN 222 CO 0.43 -0.39 1.15 0.15 -2.12 0.00 0.00 175.29 174.50 3di6 s LYS 223 N -0.15 3.80 -0.11 2.91 1.02 -1.26 -5.02 119.74 120.92 3di6 s LYS 223 Ca 0.60 1.73 -0.14 0.00 0.02 0.00 0.00 55.97 58.17 3di6 s LYS 223 Cb -0.40 -2.41 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3di6 s LYS 223 CO 0.41 -0.51 0.34 -1.21 -0.92 0.00 0.00 175.35 173.46 3di6 s GLU 224 N -2.70 4.12 0.33 1.68 2.02 -1.26 -4.48 118.70 118.41 3di6 s GLU 224 Ca 0.63 0.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.55 3di6 s GLU 224 Cb -0.27 -3.36 -0.12 0.00 0.10 0.00 0.00 34.13 30.48 3di6 s GLU 224 CO 0.33 0.38 1.50 -2.30 0.02 0.00 0.00 175.26 175.19 3di6 n PRO 225 N 3.04 2.57 -2.26 0.39 -0.02 -1.26 -4.30 135.00 133.16 3di6 n PRO 225 Ca -0.12 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 3di6 n PRO 225 Cb 0.52 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3di6 n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3di6 s PRO 226 N -1.26 4.42 -0.16 0.52 0.04 -1.26 -4.93 135.00 132.37 3di6 s PRO 226 Ca 0.59 2.00 -0.18 0.00 0.04 0.00 0.00 61.00 63.45 3di6 s PRO 226 Cb -0.51 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 3di6 s PRO 226 CO 0.56 -0.20 0.49 -0.06 0.04 0.00 0.00 177.00 177.83 3di6 s PHE 227 N 0.02 3.44 -0.10 0.56 0.08 -1.11 -4.85 117.98 116.02 3di6 s PHE 227 Ca 0.55 0.81 -0.30 0.00 0.12 0.00 0.00 56.93 58.12 3di6 s PHE 227 Cb -0.35 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3di6 s PHE 227 CO 0.38 0.04 1.11 -0.51 -0.10 0.00 0.00 175.22 176.13 3di6 s LEU 228 N 1.12 4.24 -0.18 -0.37 1.43 -1.26 -1.05 118.68 122.61 3di6 s LEU 228 Ca 0.24 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 3di6 s LEU 228 Cb -0.15 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.60 3di6 s LEU 228 CO 0.10 -0.54 0.32 0.86 0.23 0.00 0.00 176.35 177.32 3di6 s TRP 229 N 2.29 -0.59 -1.42 0.29 -0.00 -0.45 -4.97 118.94 114.09 3di6 s TRP 229 Ca 0.51 0.98 -0.09 0.00 -0.00 0.00 0.00 56.10 57.50 3di6 s TRP 229 Cb -0.21 0.02 0.04 0.00 -0.00 0.00 0.00 33.47 33.32 3di6 s TRP 229 CO 0.18 -0.51 1.04 -0.12 -0.00 0.00 0.00 176.95 177.55 3di6 n MET 230 N 5.36 -6.56 -0.87 5.86 0.00 -1.26 -1.22 117.12 118.43 3di6 n MET 230 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 57.70 58.35 3di6 n MET 230 Cb 0.50 -5.65 0.00 0.00 0.00 0.00 0.00 33.22 28.06 3di6 n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3di6 n GLY 231 N -1.77 0.90 3.76 -5.12 0.00 -1.26 -5.04 105.19 96.66 3di6 n GLY 231 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 3di6 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3di6 s TYR 232 N -3.57 2.83 -0.16 1.61 2.02 -0.36 -1.41 117.35 118.32 3di6 s TYR 232 Ca 0.00 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3di6 s TYR 232 Cb 0.00 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 3di6 s TYR 232 CO 0.00 0.41 -0.19 -1.21 -1.57 0.00 0.00 175.55 172.99 3di6 s GLU 233 N -3.84 3.07 -0.53 -0.62 2.02 0.86 -1.35 118.70 118.32 3di6 s GLU 233 Ca 0.36 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 3di6 s GLU 233 Cb -0.05 -2.53 0.14 0.00 0.10 0.00 0.00 34.13 31.79 3di6 s GLU 233 CO 0.23 -0.07 0.36 -0.51 0.02 0.00 0.00 175.26 175.30 3di6 s LEU 234 N 0.96 5.43 0.57 1.80 1.43 -0.22 -1.70 118.68 126.95 3di6 s LEU 234 Ca -0.03 -2.38 -0.04 0.00 -1.03 0.00 0.00 54.13 50.65 3di6 s LEU 234 Cb -0.15 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3di6 s LEU 234 CO -0.04 -0.51 0.85 -1.00 0.23 0.00 0.00 176.35 175.88 3di6 s HIS 235 N 0.64 3.17 0.34 0.29 3.76 -0.07 -2.75 115.29 120.66 3di6 s HIS 235 Ca 0.12 0.45 0.13 0.00 -0.15 0.00 0.00 55.06 55.61 3di6 s HIS 235 Cb -0.22 -2.69 0.96 0.00 1.11 0.00 0.00 32.58 31.75 3di6 s HIS 235 CO -0.03 -0.79 1.74 -1.35 -0.85 0.00 0.00 174.74 173.46 3di6 h PRO 236 N -0.06 0.50 -0.16 8.40 0.11 -1.96 -3.16 132.00 135.66 3di6 h PRO 236 Ca -0.45 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 3di6 h PRO 236 Cb 1.27 -0.11 -0.36 0.00 0.11 0.00 0.00 31.00 31.91 3di6 h PRO 236 CO 0.59 0.33 -0.96 -0.40 -0.21 0.00 0.00 178.00 177.35 3di6 n ASP 237 N -4.81 0.88 -3.65 -2.05 5.68 -1.26 -4.78 116.55 106.56 3di6 n ASP 237 Ca 0.27 -2.02 -0.06 0.00 -0.50 0.00 0.00 54.79 52.47 3di6 n ASP 237 Cb 0.80 -0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 3di6 n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3di6 s LYS 238 N -1.43 1.15 0.07 0.11 -2.85 -1.20 -4.65 119.74 110.95 3di6 s LYS 238 Ca 0.27 -0.56 -0.01 0.00 -1.00 0.00 0.00 55.97 54.67 3di6 s LYS 238 Cb 0.33 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.51 3di6 s LYS 238 CO -0.10 -0.52 -0.02 1.67 0.10 0.00 0.00 175.35 176.48 3di6 s TRP 239 N -3.35 0.60 0.32 1.78 1.48 -0.35 -0.89 118.94 118.52 3di6 s TRP 239 Ca 0.09 -1.10 -0.15 0.00 -1.06 0.00 0.00 56.10 53.88 3di6 s TRP 239 Cb -0.02 -0.41 0.03 0.00 -1.16 0.00 0.00 33.47 31.91 3di6 s TRP 239 CO -0.03 -0.40 0.68 -0.08 -4.06 0.00 0.00 176.95 173.06 3di6 s THR 240 N -3.93 0.00 0.58 0.66 -1.32 -0.69 0.03 115.64 110.97 3di6 s THR 240 Ca 0.10 -1.14 -0.14 0.00 -1.21 0.00 0.00 61.69 59.30 3di6 s THR 240 Cb 0.08 -2.44 -0.05 0.00 -1.51 0.00 0.00 72.50 68.57 3di6 s THR 240 CO -0.08 0.00 1.02 0.68 -2.21 0.00 0.00 174.62 174.03 3di6 s VAL 241 N -3.22 4.39 0.79 5.08 -7.23 -1.26 -0.10 120.40 118.86 3di6 s VAL 241 Ca 0.17 1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 61.23 3di6 s VAL 241 Cb -0.04 -3.66 0.07 0.00 0.56 0.00 0.00 36.38 33.31 3di6 s VAL 241 CO 0.11 -0.79 1.11 -1.10 -0.31 0.00 0.00 175.10 174.12 3di6 s GLN 242 N -4.46 1.99 0.22 4.82 -0.21 -0.50 -4.59 119.66 116.92 3di6 s GLN 242 Ca 0.59 1.32 -0.32 0.00 0.02 0.00 0.00 55.36 56.97 3di6 s GLN 242 Cb -0.12 -1.86 -0.12 0.00 1.00 0.00 0.00 33.01 31.92 3di6 s GLN 242 CO 0.41 -1.86 1.70 -2.14 -2.12 0.00 0.00 175.29 171.27 3di6 s PRO 243 N -4.71 4.13 -0.26 2.91 0.02 -1.26 -4.97 135.00 130.86 3di6 s PRO 243 Ca 0.64 2.59 -0.08 0.00 0.02 0.00 0.00 61.00 64.16 3di6 s PRO 243 Cb -0.19 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3di6 s PRO 243 CO 0.54 -0.73 0.10 0.42 -0.33 0.00 0.00 177.00 177.01 3di6 s ILE 244 N 1.02 4.51 -0.33 2.83 -1.09 -1.26 -5.07 121.20 121.82 3di6 s ILE 244 Ca 0.73 -0.14 -0.08 0.00 -2.23 0.00 0.00 60.65 58.93 3di6 s ILE 244 Cb -0.49 -3.14 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 3di6 s ILE 244 CO 0.34 0.30 0.13 -0.69 -1.23 0.00 0.00 174.94 173.79 3di6 s VAL 245 N 1.64 4.22 -0.53 2.92 1.01 -1.26 -5.06 120.40 123.34 3di6 s VAL 245 Ca 0.06 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 3di6 s VAL 245 Cb -0.15 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.99 3di6 s VAL 245 CO 0.05 -0.06 1.22 -0.76 0.00 0.00 0.00 175.10 175.56 3di6 s LEU 246 N 1.52 3.52 0.52 3.92 1.43 -1.26 -5.00 118.68 123.33 3di6 s LEU 246 Ca 0.02 0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 3di6 s LEU 246 Cb -0.18 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 3di6 s LEU 246 CO 0.04 -1.43 1.29 -2.16 0.23 0.00 0.00 176.35 174.32 3di6 s PRO 247 N 4.86 3.32 -0.19 1.29 0.04 -1.26 -4.97 135.00 138.10 3di6 s PRO 247 Ca 0.48 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 63.36 3di6 s PRO 247 Cb -0.08 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3di6 s PRO 247 CO 0.28 -1.00 0.75 -2.00 0.04 0.00 0.00 177.00 175.07 3di6 s GLU 248 N -2.87 4.25 0.02 4.56 2.56 -1.26 -5.05 118.70 120.91 3di6 s GLU 248 Ca 0.69 0.85 0.02 0.00 0.00 0.00 0.00 54.97 56.53 3di6 s GLU 248 Cb -0.36 -3.58 -0.01 0.00 2.00 0.00 0.00 34.13 32.17 3di6 s GLU 248 CO 0.43 -0.31 -0.06 0.15 -0.56 0.00 0.00 175.26 174.92 3di6 s LYS 249 N 2.10 0.43 -0.09 4.30 1.02 -1.26 -5.04 119.74 121.20 3di6 s LYS 249 Ca 0.34 -0.45 -0.26 0.00 0.02 0.00 0.00 55.97 55.61 3di6 s LYS 249 Cb -0.16 -0.29 -0.26 0.00 -0.52 0.00 0.00 37.83 36.60 3di6 s LYS 249 CO 0.11 0.06 0.89 -0.44 -0.92 0.00 0.00 175.35 175.05 3di6 h ASP 250 N 5.26 0.14 -3.47 2.83 3.32 -2.05 -3.45 116.42 119.00 3di6 h ASP 250 Ca -0.31 -0.90 -0.66 0.00 0.02 0.00 0.00 57.03 55.17 3di6 h ASP 250 Cb 1.20 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.44 3di6 h ASP 250 CO 0.45 1.03 -0.77 -0.44 -1.72 0.00 0.00 179.24 177.80 3di6 s SER 251 N -6.35 4.01 -0.25 6.45 0.01 -1.26 -5.04 113.70 111.28 3di6 s SER 251 Ca -0.17 -0.30 -0.10 0.00 1.31 0.00 0.00 55.95 56.69 3di6 s SER 251 Cb -0.01 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 3di6 s SER 251 CO 0.73 0.20 0.14 0.26 0.41 0.00 0.00 173.24 174.98 3di6 s TRP 252 N 0.11 3.21 0.53 2.43 0.52 -1.26 -5.02 118.94 119.46 3di6 s TRP 252 Ca -0.06 0.01 -0.06 0.00 0.02 0.00 0.00 56.10 56.01 3di6 s TRP 252 Cb -0.15 -2.29 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 3di6 s TRP 252 CO 0.05 -0.12 0.85 0.95 0.02 0.00 0.00 176.95 178.70 3di6 s THR 253 N 1.40 4.65 0.26 2.01 -4.23 -1.26 -0.25 115.64 118.22 3di6 s THR 253 Ca 0.07 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3di6 s THR 253 Cb -0.15 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.17 3di6 s THR 253 CO 0.07 -0.84 1.66 0.58 -0.54 0.00 0.00 174.62 175.55 3di6 h VAL 254 N 0.05 0.41 -0.93 2.29 2.07 -1.27 -1.14 116.25 117.72 3di6 h VAL 254 Ca -0.46 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3di6 h VAL 254 Cb 1.21 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3di6 h VAL 254 CO 0.62 0.04 0.58 -1.13 0.02 0.00 0.00 177.57 177.70 3di6 h ASN 255 N 0.22 1.10 -0.11 0.57 -1.24 -1.53 -1.33 115.58 113.27 3di6 h ASN 255 Ca 0.47 -0.05 -0.14 0.00 0.71 0.00 0.00 56.30 57.29 3di6 h ASN 255 Cb 0.86 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 3di6 h ASN 255 CO -0.59 0.83 -0.40 0.44 -1.29 0.00 0.00 177.43 176.41 3di6 h ASP 256 N 1.28 0.68 -0.22 1.15 3.32 -1.53 -2.27 116.42 118.82 3di6 h ASP 256 Ca 0.34 -0.30 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 3di6 h ASP 256 Cb -0.09 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.27 3di6 h ASP 256 CO -0.07 1.00 -0.65 0.40 -1.72 0.00 0.00 179.24 178.20 3di6 h ILE 257 N 0.53 1.28 -0.14 0.35 2.04 -1.08 0.13 117.51 120.62 3di6 h ILE 257 Ca 0.04 -1.84 0.04 0.00 1.00 0.00 0.00 64.86 64.11 3di6 h ILE 257 Cb 0.92 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 3di6 h ILE 257 CO 0.08 0.59 -0.14 1.56 0.00 0.00 0.00 178.15 180.24 3di6 h GLN 258 N 0.60 -0.16 -0.67 2.37 4.20 -1.23 -0.21 115.11 120.01 3di6 h GLN 258 Ca -0.02 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3di6 h GLN 258 Cb 1.27 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 3di6 h GLN 258 CO 0.14 -0.11 0.17 0.87 -0.67 0.00 0.00 178.83 179.24 3di6 h LYS 259 N -0.16 1.05 -0.18 1.46 1.57 -1.28 -1.45 116.57 117.58 3di6 h LYS 259 Ca 0.09 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3di6 h LYS 259 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3di6 h LYS 259 CO -0.24 0.92 0.10 1.25 -0.57 0.00 0.00 179.45 180.91 3di6 h LEU 260 N 1.00 0.16 -0.58 2.94 6.46 -0.47 -1.67 115.31 123.16 3di6 h LEU 260 Ca 0.21 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3di6 h LEU 260 Cb 0.34 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3di6 h LEU 260 CO -0.00 0.12 0.27 0.58 -0.62 0.00 0.00 178.44 178.79 3di6 h VAL 261 N 0.21 1.21 -0.64 1.05 2.07 -0.82 -0.19 116.25 119.15 3di6 h VAL 261 Ca 0.07 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3di6 h VAL 261 Cb -0.00 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3di6 h VAL 261 CO -0.03 0.24 0.33 1.23 0.02 0.00 0.00 177.57 179.36 3di6 h GLY 262 N 0.79 0.93 1.10 2.17 0.00 -1.09 0.17 103.07 107.14 3di6 h GLY 262 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 3di6 h GLY 262 CO -0.02 0.12 -0.40 0.50 0.00 0.00 0.00 176.54 176.74 3di6 h LYS 263 N 0.61 0.89 -0.43 4.80 1.57 -0.91 -1.30 116.57 121.80 3di6 h LYS 263 Ca 0.29 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3di6 h LYS 263 Cb 0.22 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3di6 h LYS 263 CO -0.20 1.13 0.17 -0.07 -0.57 0.00 0.00 179.45 179.91 3di6 h LEU 264 N 0.69 0.60 -0.41 2.94 3.38 -0.69 0.19 115.31 122.01 3di6 h LEU 264 Ca 0.05 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3di6 h LEU 264 Cb 0.99 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3di6 h LEU 264 CO 0.10 0.61 0.20 0.78 0.09 0.00 0.00 178.44 180.22 3di6 h ASN 265 N 0.56 0.29 -0.80 -0.43 2.35 -0.61 0.26 115.58 117.19 3di6 h ASN 265 Ca 0.14 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3di6 h ASN 265 Cb 0.20 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3di6 h ASN 265 CO -0.01 0.21 0.39 -0.25 -1.65 0.00 0.00 177.43 176.12 3di6 h TRP 266 N 0.41 1.15 0.00 1.19 2.91 -1.01 -2.54 115.95 118.06 3di6 h TRP 266 Ca 0.18 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 60.10 3di6 h TRP 266 Cb 0.09 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 3di6 h TRP 266 CO -0.10 0.83 -0.23 0.00 -1.03 0.00 0.00 178.44 177.90 3di6 h ALA 267 N 1.21 1.44 0.00 2.65 0.00 0.13 -3.05 119.26 121.64 3di6 h ALA 267 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3di6 h ALA 267 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3di6 h ALA 267 CO -0.04 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 3di6 n SER 268 N -4.00 0.00 0.27 0.00 3.41 0.01 -1.58 113.62 111.73 3di6 n SER 268 Ca -0.02 0.41 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 3di6 n SER 268 Cb 0.31 -0.45 0.77 0.00 -0.26 0.00 0.00 64.21 64.58 3di6 n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3di6 h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.67 -3.05 115.11 118.92 3di6 h GLN 269 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3di6 h GLN 269 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3di6 h GLN 269 CO 0.00 0.09 -0.05 1.51 -0.67 0.00 0.00 178.83 179.71 3di6 n ILE 270 N -3.48 0.00 -2.81 2.54 0.13 -1.03 0.81 119.36 115.52 3di6 n ILE 270 Ca -0.01 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.21 3di6 n ILE 270 Cb 0.24 -0.02 -0.04 0.00 -0.84 0.00 0.00 39.64 38.98 3di6 n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3di6 s TYR 271 N -0.69 2.83 0.50 9.51 2.02 -0.61 -4.75 117.35 126.16 3di6 s TYR 271 Ca 0.00 0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 56.66 3di6 s TYR 271 Cb 0.00 -4.06 -0.08 0.00 -0.40 0.00 0.00 41.96 37.42 3di6 s TYR 271 CO 0.00 -1.28 1.06 -2.14 -1.57 0.00 0.00 175.55 171.63 3di6 s PRO 272 N 3.95 3.68 0.00 -1.71 0.02 -1.26 -3.83 135.00 135.84 3di6 s PRO 272 Ca 0.34 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.79 3di6 s PRO 272 Cb -0.11 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3di6 s PRO 272 CO 0.22 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3di6 n GLY 273 N -0.14 1.01 3.70 0.52 0.00 -1.26 -5.00 105.19 104.03 3di6 n GLY 273 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3di6 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3di6 n ILE 274 N -2.00 1.18 -4.35 -0.61 2.08 -1.25 -4.95 119.36 109.46 3di6 n ILE 274 Ca 0.00 -0.29 -0.21 0.00 0.56 0.00 0.00 62.75 62.81 3di6 n ILE 274 Cb 0.00 -1.68 -0.11 0.00 -0.75 0.00 0.00 39.64 37.11 3di6 n ILE 274 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3di6 s LYS 275 N -0.74 1.34 0.00 0.38 1.02 -1.26 -4.98 119.74 115.50 3di6 s LYS 275 Ca 0.64 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 55.13 3di6 s LYS 275 Cb -0.58 -1.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 3di6 s LYS 275 CO 0.52 0.25 0.00 0.28 -0.92 0.00 0.00 175.35 175.48 3di6 n VAL 276 N -0.02 0.00 0.28 3.17 0.31 -1.26 -4.94 118.33 115.88 3di6 n VAL 276 Ca -0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.05 3di6 n VAL 276 Cb 0.58 1.01 -0.08 0.00 -0.91 0.00 0.00 33.84 34.44 3di6 n VAL 276 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3di6 h ARG 277 N 0.00 -0.84 -0.21 5.55 2.43 -1.98 0.10 114.38 119.42 3di6 h ARG 277 Ca 0.00 0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3di6 h ARG 277 Cb 0.12 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3di6 h ARG 277 CO 0.00 -0.56 -0.11 1.96 -1.51 0.00 0.00 179.97 179.75 3di6 h GLN 278 N -0.87 0.34 -0.37 0.20 1.08 -1.92 0.28 115.11 113.85 3di6 h GLN 278 Ca -0.05 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 56.94 3di6 h GLN 278 Cb 0.75 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3di6 h GLN 278 CO -0.01 0.46 -0.28 -0.07 -0.95 0.00 0.00 178.83 177.98 3di6 h LEU 279 N 0.33 0.88 -1.07 1.46 3.38 -1.85 -3.17 115.31 115.27 3di6 h LEU 279 Ca 0.07 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3di6 h LEU 279 Cb 0.40 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3di6 h LEU 279 CO 0.02 1.13 0.43 0.00 0.09 0.00 0.00 178.44 180.12 3di6 h LYS 281 N 1.09 0.18 -0.49 0.00 1.57 -0.94 -1.87 116.57 116.11 3di6 h LYS 281 Ca 0.28 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3di6 h LYS 281 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3di6 h LYS 281 CO -0.05 0.12 0.04 -0.07 -0.57 0.00 0.00 179.45 178.92 3di6 h LEU 282 N 0.18 0.74 0.00 2.94 3.38 -1.55 -2.99 115.31 118.02 3di6 h LEU 282 Ca 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3di6 h LEU 282 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3di6 h LEU 282 CO -0.02 0.79 0.00 0.18 0.09 0.00 0.00 178.44 179.47 3di6 n LEU 283 N -4.24 0.00 -4.76 1.67 4.77 -0.70 -4.77 117.00 108.96 3di6 n LEU 283 Ca 0.03 0.45 -0.34 0.00 -0.03 0.00 0.00 56.01 56.12 3di6 n LEU 283 Cb 0.27 -0.45 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3di6 n LEU 283 CO 0.41 -0.15 0.77 -0.13 -1.33 0.00 0.00 177.39 176.95 3di6 s ARG 284 N -2.90 2.92 0.11 3.23 0.52 -1.13 -4.78 118.95 116.91 3di6 s ARG 284 Ca 0.11 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.86 3di6 s ARG 284 Cb 0.13 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.64 3di6 s ARG 284 CO 0.34 -1.18 0.00 0.41 0.02 0.00 0.00 175.30 174.89 3di6 n GLY 285 N -0.12 -2.98 2.90 -3.53 0.00 -1.26 -4.87 105.19 95.32 3di6 n GLY 285 Ca 0.11 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3di6 n GLY 285 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3di6 s THR 286 N -0.57 2.29 0.13 2.61 -1.32 -1.26 -5.09 115.64 112.43 3di6 s THR 286 Ca 0.00 -3.09 0.08 0.00 -1.21 0.00 0.00 61.69 57.48 3di6 s THR 286 Cb 0.00 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 3di6 s THR 286 CO 0.00 -0.81 -0.14 -0.54 -2.21 0.00 0.00 174.62 170.92 3di6 s LYS 287 N -0.07 1.94 0.66 7.08 1.02 -1.26 -5.11 119.74 124.00 3di6 s LYS 287 Ca 0.17 -1.17 -0.17 0.00 0.02 0.00 0.00 55.97 54.82 3di6 s LYS 287 Cb -0.25 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3di6 s LYS 287 CO -0.01 0.47 1.28 0.00 -0.92 0.00 0.00 175.35 176.18 3di6 s ALA 288 N -1.31 2.32 0.35 5.17 0.00 -1.26 -4.92 121.76 122.11 3di6 s ALA 288 Ca 0.21 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.36 3di6 s ALA 288 Cb -0.10 -3.54 0.68 0.00 0.00 0.00 0.00 23.12 20.16 3di6 s ALA 288 CO 0.12 -1.65 1.95 1.25 0.00 0.00 0.00 175.76 177.43 3di6 h LEU 289 N 0.38 0.73 -2.43 0.00 5.85 -1.99 -2.52 115.31 115.33 3di6 h LEU 289 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3di6 h LEU 289 Cb 1.33 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3di6 h LEU 289 CO 0.52 0.48 0.00 0.35 -0.34 0.00 0.00 178.44 179.45 3di6 n THR 290 N -4.48 0.75 -2.65 1.05 -2.24 -1.26 -1.39 114.28 104.06 3di6 n THR 290 Ca 0.11 -0.84 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 3di6 n THR 290 Cb 0.20 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 3di6 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3di6 s GLU 291 N -1.25 4.62 0.07 -0.78 2.12 -0.95 -4.80 118.70 117.73 3di6 s GLU 291 Ca 0.43 1.52 -0.30 0.00 0.36 0.00 0.00 54.97 56.99 3di6 s GLU 291 Cb 0.24 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 3di6 s GLU 291 CO 0.32 0.08 1.07 0.08 -0.54 0.00 0.00 175.26 176.26 3di6 s VAL 292 N 0.31 4.35 -0.24 3.70 1.01 -1.26 -1.48 120.40 126.80 3di6 s VAL 292 Ca 0.50 1.79 -0.00 0.00 0.00 0.00 0.00 61.98 64.26 3di6 s VAL 292 Cb -0.24 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.02 3di6 s VAL 292 CO 0.30 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 3di6 s ILE 293 N 0.62 2.61 0.09 2.22 1.01 0.65 -4.96 121.20 123.45 3di6 s ILE 293 Ca 0.53 -1.09 -0.33 0.00 0.00 0.00 0.00 60.65 59.76 3di6 s ILE 293 Cb -0.26 -2.31 -0.12 0.00 0.01 0.00 0.00 42.46 39.78 3di6 s ILE 293 CO 0.30 0.24 1.75 -2.65 0.00 0.00 0.00 174.94 174.58 3di6 n PRO 294 N 4.63 2.42 -2.13 2.79 -0.02 -1.26 -4.45 135.00 136.97 3di6 n PRO 294 Ca -0.17 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3di6 n PRO 294 Cb 0.47 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3di6 n PRO 294 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3di6 s LEU 295 N 2.32 4.38 1.13 2.45 1.02 -1.26 -5.02 118.68 123.71 3di6 s LEU 295 Ca 0.83 2.43 -0.15 0.00 0.02 0.00 0.00 54.13 57.25 3di6 s LEU 295 Cb -0.60 -3.60 0.25 0.00 0.02 0.00 0.00 46.19 42.26 3di6 s LEU 295 CO 0.41 -0.65 1.07 0.42 0.02 0.00 0.00 176.35 177.62 3di6 s THR 296 N 0.71 1.82 0.26 5.49 -4.23 -1.26 -4.84 115.64 113.60 3di6 s THR 296 Ca 0.63 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.21 3di6 s THR 296 Cb -0.38 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 3di6 s THR 296 CO 0.34 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 175.95 3di6 h GLU 297 N -2.38 0.11 -0.14 3.99 4.57 -1.98 -1.61 114.58 117.14 3di6 h GLU 297 Ca -0.52 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 57.37 3di6 h GLU 297 Cb 1.32 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.93 3di6 h GLU 297 CO 0.47 0.67 -0.76 0.93 -1.18 0.00 0.00 179.01 179.14 3di6 h GLU 298 N 0.08 0.69 -0.21 1.92 3.07 -1.97 0.19 114.58 118.35 3di6 h GLU 298 Ca -0.01 -0.56 -0.02 0.00 -0.50 0.00 0.00 59.36 58.28 3di6 h GLU 298 Cb 1.06 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 3di6 h GLU 298 CO 0.08 1.18 0.07 0.00 -1.40 0.00 0.00 179.01 178.94 3di6 h ALA 299 N 0.66 0.28 -0.45 3.43 0.00 -1.81 0.00 119.26 121.38 3di6 h ALA 299 Ca -0.05 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3di6 h ALA 299 Cb 1.38 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3di6 h ALA 299 CO 0.15 -0.09 0.09 1.49 0.00 0.00 0.00 179.25 180.88 3di6 h GLU 300 N 0.17 0.21 -0.17 0.00 4.57 -1.16 0.15 114.58 118.35 3di6 h GLU 300 Ca 0.07 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3di6 h GLU 300 Cb 0.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3di6 h GLU 300 CO -0.00 0.14 0.09 -0.07 -1.18 0.00 0.00 179.01 177.99 3di6 h LEU 301 N 0.22 0.15 -0.57 1.64 4.07 -0.47 -2.07 115.31 118.27 3di6 h LEU 301 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3di6 h LEU 301 Cb 0.29 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 3di6 h LEU 301 CO -0.30 0.11 0.37 -0.08 -1.08 0.00 0.00 178.44 177.47 3di6 h GLU 302 N 0.20 0.75 -0.71 1.13 4.81 -0.61 -2.49 114.58 117.66 3di6 h GLU 302 Ca 0.07 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3di6 h GLU 302 Cb 0.00 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3di6 h GLU 302 CO -0.04 0.50 0.21 1.25 -0.73 0.00 0.00 179.01 180.20 3di6 h LEU 303 N 0.77 1.03 -0.50 1.64 5.85 -0.55 -1.87 115.31 121.68 3di6 h LEU 303 Ca 0.21 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3di6 h LEU 303 Cb -0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 3di6 h LEU 303 CO -0.04 0.97 -0.04 0.00 -0.34 0.00 0.00 178.44 178.99 3di6 h ALA 304 N 1.16 0.67 -0.39 1.25 0.00 -1.26 -1.73 119.26 118.97 3di6 h ALA 304 Ca 0.23 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3di6 h ALA 304 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3di6 h ALA 304 CO -0.00 0.52 -0.12 1.49 0.00 0.00 0.00 179.25 181.13 3di6 h GLU 305 N 0.76 0.70 -0.79 0.00 4.81 -1.28 -1.86 114.58 116.92 3di6 h GLU 305 Ca 0.14 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3di6 h GLU 305 Cb 0.57 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 3di6 h GLU 305 CO 0.03 0.80 0.43 -0.91 -0.73 0.00 0.00 179.01 178.63 3di6 h ASN 306 N 0.63 0.98 -0.46 1.04 2.35 -1.20 -2.67 115.58 116.26 3di6 h ASN 306 Ca 0.11 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3di6 h ASN 306 Cb 0.57 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3di6 h ASN 306 CO 0.04 0.79 -0.01 0.03 -1.65 0.00 0.00 177.43 176.63 3di6 h ARG 307 N 1.11 0.89 -0.84 0.81 3.08 -0.64 -1.69 114.38 117.09 3di6 h ARG 307 Ca 0.28 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3di6 h ARG 307 Cb 0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3di6 h ARG 307 CO -0.04 0.89 0.52 0.93 -1.07 0.00 0.00 179.97 181.20 3di6 h GLU 308 N 0.82 1.13 -0.49 0.04 4.39 -1.25 -1.68 114.58 117.54 3di6 h GLU 308 Ca 0.15 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 3di6 h GLU 308 Cb 0.50 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3di6 h GLU 308 CO 0.03 0.78 -0.01 0.82 -1.16 0.00 0.00 179.01 179.47 3di6 h ILE 309 N 1.15 1.25 -0.01 3.13 2.04 -1.17 -3.13 117.51 120.76 3di6 h ILE 309 Ca 0.30 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3di6 h ILE 309 Cb -0.07 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3di6 h ILE 309 CO -0.06 0.36 -0.08 0.18 0.00 0.00 0.00 178.15 178.56 3di6 n LEU 310 N -4.21 1.55 -0.07 1.44 4.77 -0.66 -4.25 117.00 115.56 3di6 n LEU 310 Ca 0.02 -0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 55.38 3di6 n LEU 310 Cb 0.31 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3di6 n LEU 310 CO 0.42 0.26 0.68 0.07 -1.33 0.00 0.00 177.39 177.49 3di6 h LYS 311 N 2.31 0.42 -5.60 3.23 2.10 -1.25 -3.42 116.57 114.36 3di6 h LYS 311 Ca 0.00 -0.18 -0.60 0.00 -2.00 0.00 0.00 60.65 57.87 3di6 h LYS 311 Cb 0.56 -0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 31.78 3di6 h LYS 311 CO 0.00 0.70 -0.32 -1.21 -2.00 0.00 0.00 179.45 176.62 3di6 s GLU 312 N -4.63 4.12 0.50 0.07 0.41 -1.26 -5.08 118.70 112.83 3di6 s GLU 312 Ca -0.14 0.13 -0.23 0.00 -0.41 0.00 0.00 54.97 54.33 3di6 s GLU 312 Cb 0.06 -3.37 -0.06 0.00 -1.78 0.00 0.00 34.13 28.98 3di6 s GLU 312 CO 0.75 0.36 1.30 -2.14 -0.49 0.00 0.00 175.26 175.05 3di6 s PRO 313 N 0.08 3.43 0.03 0.39 0.02 -1.26 -5.01 135.00 132.67 3di6 s PRO 313 Ca 0.18 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.37 3di6 s PRO 313 Cb -0.13 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 31.99 3di6 s PRO 313 CO 0.06 -0.92 -0.18 0.08 -0.33 0.00 0.00 177.00 175.70 3di6 s VAL 314 N -1.36 1.47 0.22 3.83 1.01 -1.26 -5.16 120.40 119.15 3di6 s VAL 314 Ca 0.67 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.70 3di6 s VAL 314 Cb -0.37 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3di6 s VAL 314 CO 0.45 0.22 -0.11 -1.38 0.00 0.00 0.00 175.10 174.28 3di6 s HIS 315 N -0.69 1.74 0.30 5.22 -3.43 -1.26 -4.79 115.29 112.37 3di6 s HIS 315 Ca 0.06 -0.64 0.08 0.00 -0.80 0.00 0.00 55.06 53.76 3di6 s HIS 315 Cb -0.08 -0.88 -0.03 0.00 -1.43 0.00 0.00 32.58 30.16 3di6 s HIS 315 CO 0.01 0.30 0.20 0.20 -2.00 0.00 0.00 174.74 173.44 3di6 s GLY 316 N -3.34 1.66 0.33 -1.38 0.00 0.10 -4.77 107.32 99.92 3di6 s GLY 316 Ca 0.24 -1.60 0.07 0.00 0.00 0.00 0.00 44.72 43.43 3di6 s GLY 316 CO 0.08 -1.58 0.47 -1.34 0.00 0.00 0.00 173.10 170.73 3di6 s VAL 317 N -2.27 4.09 0.72 1.40 -7.23 -0.03 -1.21 120.40 115.87 3di6 s VAL 317 Ca 0.36 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.49 3di6 s VAL 317 Cb -0.06 -3.41 0.09 0.00 0.56 0.00 0.00 36.38 33.55 3di6 s VAL 317 CO 0.25 -0.16 1.01 -0.31 -0.31 0.00 0.00 175.10 175.58 3di6 s TYR 318 N -2.17 2.43 -0.02 2.82 1.51 -1.26 -4.57 117.35 116.09 3di6 s TYR 318 Ca 0.45 0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 56.56 3di6 s TYR 318 Cb -0.10 -3.20 -0.05 0.00 -0.11 0.00 0.00 41.96 38.50 3di6 s TYR 318 CO 0.31 -1.56 0.38 -0.47 -1.11 0.00 0.00 175.55 173.11 3di6 s TYR 319 N -3.23 3.70 -0.27 2.71 5.04 0.74 -4.90 117.35 121.15 3di6 s TYR 319 Ca 0.63 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 56.22 3di6 s TYR 319 Cb -0.09 -2.27 0.07 0.00 0.35 0.00 0.00 41.96 40.02 3di6 s TYR 319 CO 0.45 0.62 -0.05 0.34 -1.34 0.00 0.00 175.55 175.57 3di6 s ASP 320 N -0.97 4.27 0.17 4.32 3.68 -1.26 -3.82 116.67 123.06 3di6 s ASP 320 Ca 0.23 -1.46 0.16 0.00 2.13 0.00 0.00 52.55 53.61 3di6 s ASP 320 Cb -0.16 -1.39 0.76 0.00 -1.45 0.00 0.00 42.92 40.67 3di6 s ASP 320 CO 0.12 -0.25 1.50 -0.81 0.13 0.00 0.00 175.17 175.86 3di6 n PRO 321 N 4.51 0.10 0.00 4.34 -0.04 -1.26 -2.22 135.00 140.42 3di6 n PRO 321 Ca -0.09 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 3di6 n PRO 321 Cb 0.43 -1.75 0.82 0.00 -0.04 0.00 0.00 33.50 32.96 3di6 n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3di6 n SER 322 N -1.94 0.00 -4.41 3.54 3.41 -1.26 -4.83 113.62 108.13 3di6 n SER 322 Ca 0.01 -0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 57.59 3di6 n SER 322 Cb 0.11 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 3di6 n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3di6 s LYS 323 N -2.04 1.50 0.62 4.33 1.02 -0.94 -5.15 119.74 119.07 3di6 s LYS 323 Ca 0.41 -1.71 -0.11 0.00 0.02 0.00 0.00 55.97 54.58 3di6 s LYS 323 Cb 0.19 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 3di6 s LYS 323 CO 0.33 0.16 1.03 -0.51 -0.92 0.00 0.00 175.35 175.44 3di6 s ASP 324 N -3.41 6.24 -0.11 2.83 -0.00 -1.26 -4.96 116.67 115.99 3di6 s ASP 324 Ca 0.27 1.42 -0.11 0.00 -0.00 0.00 0.00 52.55 54.13 3di6 s ASP 324 Cb 0.00 -2.47 -0.05 0.00 -0.00 0.00 0.00 42.92 40.40 3di6 s ASP 324 CO 0.11 -0.86 0.25 -0.76 -0.00 0.00 0.00 175.17 173.91 3di6 s LEU 325 N -5.15 4.35 -0.10 1.23 2.01 -1.26 -4.43 118.68 115.32 3di6 s LEU 325 Ca 0.55 0.58 0.04 0.00 0.01 0.00 0.00 54.13 55.31 3di6 s LEU 325 Cb -0.11 -2.30 0.00 0.00 0.01 0.00 0.00 46.19 43.80 3di6 s LEU 325 CO 0.53 0.27 -0.23 -0.63 1.01 0.00 0.00 176.35 177.31 3di6 s ILE 326 N -0.43 1.97 -0.11 -0.59 1.01 -0.30 -0.47 121.20 122.29 3di6 s ILE 326 Ca 0.17 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3di6 s ILE 326 Cb -0.13 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3di6 s ILE 326 CO 0.06 0.54 -0.17 0.00 0.00 0.00 0.00 174.94 175.36 3di6 s ALA 327 N 0.44 2.47 0.01 9.38 0.00 0.40 -1.73 121.76 132.73 3di6 s ALA 327 Ca -0.17 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 50.93 3di6 s ALA 327 Cb -0.17 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3di6 s ALA 327 CO 0.07 0.31 -0.23 -1.21 0.00 0.00 0.00 175.76 174.70 3di6 s GLU 328 N 0.18 2.07 -0.06 0.00 2.02 -0.58 -0.13 118.70 122.20 3di6 s GLU 328 Ca -0.10 -0.96 0.04 0.00 0.02 0.00 0.00 54.97 53.97 3di6 s GLU 328 Cb -0.16 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3di6 s GLU 328 CO 0.06 0.55 -0.18 0.42 0.02 0.00 0.00 175.26 176.13 3di6 s ILE 329 N -0.75 1.50 -0.00 -1.63 1.01 -1.16 -1.87 121.20 118.31 3di6 s ILE 329 Ca 0.12 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3di6 s ILE 329 Cb -0.10 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3di6 s ILE 329 CO 0.01 0.43 -0.24 -1.10 0.00 0.00 0.00 174.94 174.05 3di6 s GLN 330 N 0.19 2.08 -0.16 2.79 1.11 0.90 -4.21 119.66 122.35 3di6 s GLN 330 Ca -0.08 -0.95 -0.28 0.00 0.01 0.00 0.00 55.36 54.06 3di6 s GLN 330 Cb -0.13 -2.08 -0.01 0.00 -1.01 0.00 0.00 33.01 29.78 3di6 s GLN 330 CO 0.04 0.55 0.96 0.21 0.01 0.00 0.00 175.29 177.06 3di6 s LYS 331 N -0.85 4.34 -0.68 2.91 2.20 -1.26 -1.02 119.74 125.38 3di6 s LYS 331 Ca 0.11 1.26 0.05 0.00 -0.36 0.00 0.00 55.97 57.03 3di6 s LYS 331 Cb -0.10 -3.58 0.17 0.00 -1.51 0.00 0.00 37.83 32.81 3di6 s LYS 331 CO 0.00 -0.41 0.48 1.14 -0.36 0.00 0.00 175.35 176.21 3di6 s GLN 332 N 2.38 2.32 0.00 4.03 -2.07 -0.66 -4.50 119.66 121.16 3di6 s GLN 332 Ca 0.44 -3.23 0.00 0.00 -1.82 0.00 0.00 55.36 50.75 3di6 s GLN 332 Cb -0.17 -3.23 0.00 0.00 -1.09 0.00 0.00 33.01 28.52 3di6 s GLN 332 CO 0.13 -1.30 0.00 0.41 -1.32 0.00 0.00 175.29 173.21 3di6 n GLY 333 N 2.05 -0.94 3.73 2.60 0.00 -1.26 -4.32 105.19 107.05 3di6 n GLY 333 Ca 0.21 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 3di6 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di6 s GLN 334 N -1.09 4.59 0.00 1.61 -1.52 -1.26 -2.98 119.66 119.01 3di6 s GLN 334 Ca 0.00 1.66 0.00 0.00 -1.95 0.00 0.00 55.36 55.07 3di6 s GLN 334 Cb 0.00 -3.31 0.00 0.00 -0.22 0.00 0.00 33.01 29.48 3di6 s GLN 334 CO 0.00 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 3di6 n GLY 335 N 2.29 2.30 3.77 3.09 0.00 -1.26 -4.96 105.19 110.42 3di6 n GLY 335 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3di6 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3di6 s GLN 336 N 0.00 4.04 0.08 1.61 -0.21 -1.16 -4.17 119.66 119.86 3di6 s GLN 336 Ca 0.00 -0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.36 3di6 s GLN 336 Cb 0.00 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 3di6 s GLN 336 CO 0.00 0.40 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.89 3di6 s TRP 337 N 0.02 1.03 0.01 0.91 0.52 0.10 -1.65 118.94 119.88 3di6 s TRP 337 Ca 0.13 -0.60 0.01 0.00 0.02 0.00 0.00 56.10 55.67 3di6 s TRP 337 Cb -0.12 -0.57 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 3di6 s TRP 337 CO 0.02 -0.00 -0.05 -0.08 0.02 0.00 0.00 176.95 176.86 3di6 s THR 338 N -2.08 0.33 0.02 2.01 -1.32 -0.19 -1.83 115.64 112.58 3di6 s THR 338 Ca 0.02 -0.47 -0.02 0.00 -1.21 0.00 0.00 61.69 60.00 3di6 s THR 338 Cb -0.05 -0.34 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 3di6 s THR 338 CO 0.00 -0.10 0.02 -0.72 -2.21 0.00 0.00 174.62 171.62 3di6 s TYR 339 N -0.56 0.23 -0.00 9.09 1.13 0.15 -0.07 117.35 127.31 3di6 s TYR 339 Ca -0.03 -0.49 0.04 0.00 -1.41 0.00 0.00 57.07 55.18 3di6 s TYR 339 Cb -0.04 -0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 3di6 s TYR 339 CO -0.00 -0.25 -0.14 -0.65 -2.51 0.00 0.00 175.55 171.99 3di6 s GLN 340 N -1.83 1.11 -0.12 -3.49 1.11 -0.78 -0.99 119.66 114.68 3di6 s GLN 340 Ca -0.12 -0.54 0.02 0.00 0.01 0.00 0.00 55.36 54.73 3di6 s GLN 340 Cb -0.07 -1.08 -0.01 0.00 -1.01 0.00 0.00 33.01 30.85 3di6 s GLN 340 CO -0.02 0.29 -0.19 0.42 0.01 0.00 0.00 175.29 175.81 3di6 s ILE 341 N -0.40 2.50 0.15 1.08 1.01 -0.05 -1.53 121.20 123.95 3di6 s ILE 341 Ca 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3di6 s ILE 341 Cb -0.06 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3di6 s ILE 341 CO -0.00 0.54 0.27 -0.72 0.00 0.00 0.00 174.94 175.03 3di6 s TYR 342 N 0.37 0.32 -0.15 3.97 -0.85 -0.70 0.28 117.35 120.59 3di6 s TYR 342 Ca -0.15 -0.70 0.01 0.00 -0.52 0.00 0.00 57.07 55.72 3di6 s TYR 342 Cb -0.17 -0.04 -0.10 0.00 0.38 0.00 0.00 41.96 42.04 3di6 s TYR 342 CO 0.07 -0.69 -0.13 1.04 -1.52 0.00 0.00 175.55 174.32 3di6 n GLN 343 N -0.19 0.37 -4.36 -3.49 6.02 -1.26 -1.15 117.38 113.32 3di6 n GLN 343 Ca -0.09 0.09 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3di6 n GLN 343 Cb 0.63 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 30.45 3di6 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3di6 s GLU 344 N -2.29 3.36 -0.41 -1.09 0.41 -1.26 -4.84 118.70 112.57 3di6 s GLU 344 Ca -0.20 -0.67 -0.20 0.00 -0.41 0.00 0.00 54.97 53.49 3di6 s GLU 344 Cb 0.05 -2.78 -0.11 0.00 -1.78 0.00 0.00 34.13 29.51 3di6 s GLU 344 CO 0.34 0.02 1.31 -2.30 -0.49 0.00 0.00 175.26 174.14 3di6 n PRO 345 N 4.12 0.00 -0.75 0.39 -0.02 -1.26 -1.56 135.00 135.93 3di6 n PRO 345 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3di6 n PRO 345 Cb 0.52 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 3di6 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3di6 n PHE 346 N 4.90 0.00 -2.88 6.00 0.99 -1.26 -4.97 117.46 120.24 3di6 n PHE 346 Ca 0.33 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.34 3di6 n PHE 346 Cb -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.46 3di6 n PHE 346 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3di6 s LYS 347 N -0.25 3.82 0.31 -1.08 1.02 -0.60 -5.02 119.74 117.94 3di6 s LYS 347 Ca 0.00 -2.04 -0.29 0.00 0.02 0.00 0.00 55.97 53.65 3di6 s LYS 347 Cb 0.00 -5.06 -0.10 0.00 -0.52 0.00 0.00 37.83 32.15 3di6 s LYS 347 CO 0.00 -1.84 1.43 -0.80 -0.92 0.00 0.00 175.35 173.22 3di6 s ASN 348 N 3.48 6.58 -0.10 2.83 0.01 -1.26 -4.22 114.94 122.26 3di6 s ASN 348 Ca 0.39 2.79 -0.22 0.00 -0.71 0.00 0.00 52.86 55.12 3di6 s ASN 348 Cb -0.03 -2.64 -0.18 0.00 0.41 0.00 0.00 41.25 38.80 3di6 s ASN 348 CO -0.05 -0.72 0.69 -0.07 -1.51 0.00 0.00 177.10 175.44 3di6 h LEU 349 N 4.08 -0.04 -8.17 0.60 3.38 -0.42 -0.05 115.31 114.70 3di6 h LEU 349 Ca -0.48 -0.63 -0.10 0.00 0.09 0.00 0.00 57.88 56.76 3di6 h LEU 349 Cb 1.23 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3di6 h LEU 349 CO 0.71 0.73 0.12 -1.59 0.09 0.00 0.00 178.44 178.50 3di6 s LYS 350 N -2.51 2.11 0.11 1.13 -2.85 -1.08 -4.08 119.74 112.56 3di6 s LYS 350 Ca -0.14 -1.52 -0.01 0.00 -1.00 0.00 0.00 55.97 53.31 3di6 s LYS 350 Cb -0.01 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3di6 s LYS 350 CO 0.51 -0.95 0.03 0.99 0.10 0.00 0.00 175.35 176.03 3di6 s THR 351 N -2.63 0.17 0.02 3.79 2.01 0.24 -0.87 115.64 118.36 3di6 s THR 351 Ca 0.20 -1.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.12 3di6 s THR 351 Cb -0.04 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.64 3di6 s THR 351 CO 0.14 -0.62 0.88 0.61 -0.69 0.00 0.00 174.62 174.94 3di6 n GLY 352 N -0.04 0.44 3.16 4.40 0.00 -0.16 -4.13 105.19 108.86 3di6 n GLY 352 Ca -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3di6 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3di6 s LYS 353 N -2.02 0.87 -0.07 1.61 -2.85 -1.26 -0.67 119.74 115.35 3di6 s LYS 353 Ca 0.20 -1.33 -0.03 0.00 -1.00 0.00 0.00 55.97 53.82 3di6 s LYS 353 Cb -0.01 0.26 0.04 0.00 -2.06 0.00 0.00 37.83 36.06 3di6 s LYS 353 CO 0.01 -0.24 0.14 -0.47 0.10 0.00 0.00 175.35 174.88 3di6 s TYR 354 N -4.00 -0.15 -0.05 1.78 5.04 -0.76 -4.99 117.35 114.22 3di6 s TYR 354 Ca 0.18 0.52 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 3di6 s TYR 354 Cb 0.07 -0.19 -0.04 0.00 0.35 0.00 0.00 41.96 42.16 3di6 s TYR 354 CO -0.02 -0.21 -0.04 0.00 -1.34 0.00 0.00 175.55 173.93 3di6 n ALA 355 N 4.77 1.89 -0.20 3.97 0.00 -1.26 -0.73 120.51 128.94 3di6 n ALA 355 Ca -0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 52.98 3di6 n ALA 355 Cb 0.51 0.37 -0.00 0.00 0.00 0.00 0.00 19.45 20.32 3di6 n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3di6 n ARG 356 N -2.63 0.00 -3.51 0.00 0.63 -1.26 -4.61 116.66 105.27 3di6 n ARG 356 Ca -0.09 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.42 3di6 n ARG 356 Cb 0.60 -0.15 -0.10 0.00 0.45 0.00 0.00 32.46 33.26 3di6 n ARG 356 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3di6 s MET 357 N -0.14 2.96 -0.51 -0.14 -1.94 -1.26 -5.04 119.30 113.24 3di6 s MET 357 Ca 0.09 -1.01 -0.22 0.00 -1.71 0.00 0.00 55.69 52.84 3di6 s MET 357 Cb -0.14 -3.88 0.04 0.00 2.01 0.00 0.00 34.83 32.87 3di6 s MET 357 CO 0.08 -0.71 0.80 1.03 -0.01 0.00 0.00 175.02 176.22 3di6 s ARG 358 N 1.64 3.29 0.30 2.03 0.52 -1.26 -4.93 118.95 120.54 3di6 s ARG 358 Ca 0.04 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3di6 s ARG 358 Cb -0.19 -4.03 0.00 0.00 0.52 0.00 0.00 34.95 31.25 3di6 s ARG 358 CO 0.09 -1.29 0.00 0.41 0.02 0.00 0.00 175.30 174.53 3di6 n GLY 359 N 5.09 -2.31 0.10 -3.53 0.00 -1.26 -4.68 105.19 98.60 3di6 n GLY 359 Ca -0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 3di6 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3di6 h ALA 360 N 0.00 0.60 -4.13 4.61 0.00 -1.97 -3.48 119.26 114.89 3di6 h ALA 360 Ca 0.00 -1.39 -0.48 0.00 0.00 0.00 0.00 54.91 53.04 3di6 h ALA 360 Cb 0.00 0.51 -0.29 0.00 0.00 0.00 0.00 17.79 18.01 3di6 h ALA 360 CO 0.00 1.44 -0.81 -1.01 0.00 0.00 0.00 179.25 178.88 3di6 s HIS 361 N -2.59 1.23 0.27 0.00 3.76 -1.26 -1.52 115.29 115.18 3di6 s HIS 361 Ca -0.10 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.38 3di6 s HIS 361 Cb 0.07 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.97 3di6 s HIS 361 CO 0.81 -0.04 0.62 -0.08 -0.85 0.00 0.00 174.74 175.20 3di6 s THR 362 N -0.24 0.00 0.26 1.30 -1.32 -0.55 -4.98 115.64 110.10 3di6 s THR 362 Ca 0.04 -1.18 0.04 0.00 -1.21 0.00 0.00 61.69 59.38 3di6 s THR 362 Cb -0.06 -2.11 -0.06 0.00 -1.51 0.00 0.00 72.50 68.77 3di6 s THR 362 CO -0.00 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 172.95 3di6 s ASN 363 N -2.97 2.12 0.44 8.08 2.20 -1.26 -1.23 114.94 122.33 3di6 s ASN 363 Ca 0.16 -1.25 0.10 0.00 -0.94 0.00 0.00 52.86 50.93 3di6 s ASN 363 Cb -0.04 -0.04 0.99 0.00 -2.00 0.00 0.00 41.25 40.16 3di6 s ASN 363 CO 0.08 -0.50 2.08 0.44 -2.94 0.00 0.00 177.10 176.25 3di6 h ASP 364 N 2.35 0.29 -0.04 3.54 5.19 -1.92 -1.63 116.42 124.21 3di6 h ASP 364 Ca -0.39 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 3di6 h ASP 364 Cb 1.23 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 3di6 h ASP 364 CO 0.66 0.23 0.00 0.58 -3.12 0.00 0.00 179.24 177.60 3di6 h VAL 365 N 0.34 1.23 -0.75 -1.35 2.07 -1.95 -0.76 116.25 115.09 3di6 h VAL 365 Ca 0.09 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.99 3di6 h VAL 365 Cb -0.00 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3di6 h VAL 365 CO -0.02 0.19 0.40 0.11 0.02 0.00 0.00 177.57 178.27 3di6 h LYS 366 N -0.21 0.66 -0.27 1.57 1.57 -1.88 -1.96 116.57 116.04 3di6 h LYS 366 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3di6 h LYS 366 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3di6 h LYS 366 CO 0.00 0.43 0.04 1.96 -0.57 0.00 0.00 179.45 181.31 3di6 h GLN 367 N 0.68 0.45 -0.53 3.15 4.20 -1.11 -1.92 115.11 120.02 3di6 h GLN 367 Ca 0.37 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 59.01 3di6 h GLN 367 Cb 0.36 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 3di6 h GLN 367 CO -0.26 0.57 0.23 1.25 -0.67 0.00 0.00 178.83 179.96 3di6 h LEU 368 N 0.26 0.29 -1.14 1.46 5.85 -0.79 0.27 115.31 121.51 3di6 h LEU 368 Ca 0.08 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3di6 h LEU 368 Cb 0.35 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3di6 h LEU 368 CO 0.01 0.19 0.18 0.74 -0.34 0.00 0.00 178.44 179.22 3di6 h THR 369 N 0.44 1.21 -0.50 1.05 2.02 -1.18 0.25 112.91 116.20 3di6 h THR 369 Ca 0.25 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 3di6 h THR 369 Cb 0.23 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3di6 h THR 369 CO -0.22 0.26 -0.12 -0.33 0.37 0.00 0.00 175.52 175.49 3di6 h GLU 370 N 0.77 0.96 -0.66 6.66 5.08 -0.58 -0.98 114.58 125.83 3di6 h GLU 370 Ca 0.18 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3di6 h GLU 370 Cb 0.21 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3di6 h GLU 370 CO -0.01 1.03 0.31 0.00 -1.00 0.00 0.00 179.01 179.34 3di6 h ALA 371 N 0.90 0.86 -0.73 3.43 0.00 -0.23 -0.91 119.26 122.57 3di6 h ALA 371 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3di6 h ALA 371 Cb 0.68 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3di6 h ALA 371 CO 0.05 0.43 0.39 0.28 0.00 0.00 0.00 179.25 180.40 3di6 h VAL 372 N 0.92 1.22 -0.26 0.00 2.07 -0.35 -1.75 116.25 118.10 3di6 h VAL 372 Ca 0.23 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3di6 h VAL 372 Cb 0.13 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3di6 h VAL 372 CO -0.03 0.25 -0.01 -0.61 0.02 0.00 0.00 177.57 177.19 3di6 h GLN 373 N 1.03 0.47 -0.55 1.57 5.75 -0.74 -0.16 115.11 122.48 3di6 h GLN 373 Ca 0.26 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3di6 h GLN 373 Cb 0.04 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 3di6 h GLN 373 CO -0.04 0.65 0.35 -0.22 -2.65 0.00 0.00 178.83 176.92 3di6 h LYS 374 N 0.25 0.73 -0.12 1.69 3.11 -1.00 -1.49 116.57 119.75 3di6 h LYS 374 Ca 0.07 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 3di6 h LYS 374 Cb 0.44 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 3di6 h LYS 374 CO 0.02 0.50 -0.31 0.82 -2.81 0.00 0.00 179.45 177.67 3di6 h ILE 375 N 0.74 1.26 -0.18 2.00 2.04 -1.24 -1.85 117.51 120.28 3di6 h ILE 375 Ca 0.20 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3di6 h ILE 375 Cb -0.06 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3di6 h ILE 375 CO -0.04 0.37 0.02 0.74 0.00 0.00 0.00 178.15 179.25 3di6 h THR 376 N 0.20 1.23 -0.79 -0.27 2.02 -0.36 -1.45 112.91 113.49 3di6 h THR 376 Ca 0.03 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3di6 h THR 376 Cb 0.65 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 3di6 h THR 376 CO 0.05 0.23 0.31 0.74 0.37 0.00 0.00 175.52 177.22 3di6 h THR 377 N 0.09 1.26 -0.93 3.16 2.02 -1.18 -2.43 112.91 114.90 3di6 h THR 377 Ca 0.05 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 3di6 h THR 377 Cb 0.32 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 3di6 h THR 377 CO 0.00 0.34 0.58 -0.08 0.37 0.00 0.00 175.52 176.73 3di6 h GLU 378 N 1.15 1.26 -0.13 6.66 4.81 -1.24 -2.26 114.58 124.82 3di6 h GLU 378 Ca 0.26 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.23 3di6 h GLU 378 Cb 0.22 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3di6 h GLU 378 CO -0.02 0.87 -0.59 0.77 -0.73 0.00 0.00 179.01 179.30 3di6 h SER 379 N 1.28 0.49 -0.64 1.04 0.02 -0.89 -1.35 113.55 113.50 3di6 h SER 379 Ca 0.34 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 3di6 h SER 379 Cb -0.08 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3di6 h SER 379 CO -0.07 0.97 0.04 0.40 -1.14 0.00 0.00 176.83 177.03 3di6 h ILE 380 N 0.32 1.27 0.76 3.27 2.04 -1.30 0.34 117.51 124.20 3di6 h ILE 380 Ca -0.00 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 3di6 h ILE 380 Cb 1.13 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3di6 h ILE 380 CO 0.10 0.41 -0.48 0.58 0.00 0.00 0.00 178.15 178.77 3di6 h VAL 381 N 1.01 0.04 -0.12 1.67 2.07 -1.20 -1.90 116.25 117.82 3di6 h VAL 381 Ca 0.19 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.54 3di6 h VAL 381 Cb 0.52 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3di6 h VAL 381 CO 0.03 0.00 -0.59 0.40 0.02 0.00 0.00 177.57 177.42 3di6 h ILE 382 N -1.17 1.34 0.00 4.57 2.04 -1.14 -3.38 117.51 119.76 3di6 h ILE 382 Ca -0.10 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.89 3di6 h ILE 382 Cb 0.94 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3di6 h ILE 382 CO 0.09 0.57 -0.14 0.79 0.00 0.00 0.00 178.15 179.47 3di6 n TRP 383 N -4.14 0.00 -1.14 1.37 8.01 0.11 -4.60 117.44 117.05 3di6 n TRP 383 Ca -0.08 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.06 3di6 n TRP 383 Cb 0.65 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.93 3di6 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3di6 n GLY 384 N 1.16 0.74 3.42 6.99 0.00 -0.71 -4.97 105.19 111.82 3di6 n GLY 384 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 3di6 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3di6 s LYS 385 N -2.06 1.24 0.17 1.61 -2.85 -1.25 -4.93 119.74 111.68 3di6 s LYS 385 Ca 0.00 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 53.96 3di6 s LYS 385 Cb 0.00 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.18 3di6 s LYS 385 CO 0.00 -0.50 0.52 0.95 0.10 0.00 0.00 175.35 176.42 3di6 s THR 386 N -3.88 4.93 0.63 3.79 -4.23 -1.26 -3.56 115.64 112.06 3di6 s THR 386 Ca 0.09 0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 3di6 s THR 386 Cb 0.01 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 3di6 s THR 386 CO -0.05 0.11 0.99 -2.16 -0.54 0.00 0.00 174.62 172.97 3di6 s PRO 387 N -2.35 3.05 -0.10 3.99 0.04 -1.26 -4.79 135.00 133.59 3di6 s PRO 387 Ca 0.41 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 3di6 s PRO 387 Cb -0.13 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3di6 s PRO 387 CO 0.20 -0.78 1.02 0.15 0.04 0.00 0.00 177.00 177.64 3di6 s LYS 388 N -5.15 4.42 0.15 4.56 1.02 0.38 -4.75 119.74 120.37 3di6 s LYS 388 Ca 0.55 1.42 -0.10 0.00 0.02 0.00 0.00 55.97 57.86 3di6 s LYS 388 Cb -0.11 -3.54 -0.06 0.00 -0.52 0.00 0.00 37.83 33.60 3di6 s LYS 388 CO 0.49 -0.31 0.48 -0.06 -0.92 0.00 0.00 175.35 175.02 3di6 s PHE 389 N 1.98 3.52 -0.24 3.18 0.08 -0.53 -0.46 117.98 125.51 3di6 s PHE 389 Ca 0.49 0.84 0.01 0.00 0.12 0.00 0.00 56.93 58.39 3di6 s PHE 389 Cb -0.19 -2.21 0.06 0.00 -0.57 0.00 0.00 43.02 40.11 3di6 s PHE 389 CO 0.19 0.41 -0.07 0.15 -0.10 0.00 0.00 175.22 175.80 3di6 s LYS 390 N -2.32 1.80 0.04 0.44 1.02 0.82 -1.06 119.74 120.49 3di6 s LYS 390 Ca 0.40 -1.11 0.07 0.00 0.02 0.00 0.00 55.97 55.35 3di6 s LYS 390 Cb -0.13 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3di6 s LYS 390 CO 0.20 -0.59 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.35 3di6 s LEU 391 N 1.30 2.64 -0.88 3.17 1.43 0.53 -3.00 118.68 123.87 3di6 s LEU 391 Ca -0.07 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3di6 s LEU 391 Cb -0.19 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3di6 s LEU 391 CO -0.06 0.25 2.77 -0.81 0.23 0.00 0.00 176.35 178.74 3di6 n PRO 392 N 1.51 3.36 -3.79 1.29 -0.04 -1.26 -1.26 135.00 134.82 3di6 n PRO 392 Ca -0.16 -2.56 -0.13 0.00 -0.04 0.00 0.00 63.50 60.61 3di6 n PRO 392 Cb 0.52 -2.40 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 3di6 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3di6 s ILE 393 N -0.78 0.00 0.37 0.52 2.07 -1.26 -0.17 121.20 121.95 3di6 s ILE 393 Ca 0.60 -0.04 -0.26 0.00 -1.41 0.00 0.00 60.65 59.54 3di6 s ILE 393 Cb 0.27 -0.38 -0.09 0.00 0.13 0.00 0.00 42.46 42.40 3di6 s ILE 393 CO -0.12 -0.02 1.07 -1.10 -1.91 0.00 0.00 174.94 172.86 3di6 s GLN 394 N 0.03 4.27 0.22 3.50 -1.52 -1.26 -4.51 119.66 120.39 3di6 s GLN 394 Ca -0.01 1.62 -0.08 0.00 -1.95 0.00 0.00 55.36 54.94 3di6 s GLN 394 Cb -0.02 -2.72 0.31 0.00 -0.22 0.00 0.00 33.01 30.36 3di6 s GLN 394 CO 0.01 -0.07 1.78 0.87 -0.25 0.00 0.00 175.29 177.63 3di6 h LYS 395 N 2.85 0.58 -0.89 2.91 1.79 -1.99 -1.48 116.57 120.34 3di6 h LYS 395 Ca -0.48 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 57.98 3di6 h LYS 395 Cb 1.22 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 3di6 h LYS 395 CO 0.63 0.39 0.58 1.49 -1.08 0.00 0.00 179.45 181.46 3di6 h GLU 396 N 0.60 1.12 -0.50 3.15 4.81 -1.98 0.18 114.58 121.95 3di6 h GLU 396 Ca 0.33 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3di6 h GLU 396 Cb 0.33 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3di6 h GLU 396 CO -0.25 0.74 0.17 1.15 -0.73 0.00 0.00 179.01 180.09 3di6 h THR 397 N 1.15 1.23 0.33 0.32 2.02 -1.73 -1.52 112.91 114.70 3di6 h THR 397 Ca 0.35 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3di6 h THR 397 Cb -0.04 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3di6 h THR 397 CO -0.10 0.27 -0.16 -0.25 0.37 0.00 0.00 175.52 175.65 3di6 h TRP 398 N 0.68 -0.41 -0.56 3.16 2.91 -0.89 -2.41 115.95 118.43 3di6 h TRP 398 Ca 0.16 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.27 3di6 h TRP 398 Cb 0.25 0.13 -0.11 0.00 -0.51 0.00 0.00 29.16 28.93 3di6 h TRP 398 CO 0.01 -0.09 -0.36 1.49 -1.03 0.00 0.00 178.44 178.46 3di6 h GLU 399 N -0.73 -0.19 -0.77 2.65 4.81 -0.67 -1.35 114.58 118.33 3di6 h GLU 399 Ca -0.04 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3di6 h GLU 399 Cb 0.50 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 3di6 h GLU 399 CO 0.07 -0.12 0.47 1.15 -0.73 0.00 0.00 179.01 179.85 3di6 h THR 400 N -0.19 1.05 0.07 0.32 2.02 -1.28 -1.93 112.91 112.98 3di6 h THR 400 Ca 0.21 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3di6 h THR 400 Cb 0.55 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3di6 h THR 400 CO -0.66 0.16 -0.04 -0.25 0.37 0.00 0.00 175.52 175.10 3di6 h TRP 401 N 0.88 -0.09 0.00 3.16 2.91 -0.85 -3.17 115.95 118.79 3di6 h TRP 401 Ca 0.33 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.28 3di6 h TRP 401 Cb 0.12 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 3di6 h TRP 401 CO -0.04 0.40 -0.40 -1.49 -1.03 0.00 0.00 178.44 175.87 3di6 h TRP 402 N -0.64 0.00 0.00 2.65 4.06 -1.24 -1.06 115.95 119.72 3di6 h TRP 402 Ca -0.01 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 3di6 h TRP 402 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 3di6 h TRP 402 CO 0.10 0.30 -0.32 1.79 -3.56 0.00 0.00 178.44 176.75 3di6 h THR 403 N 0.00 0.82 0.00 1.49 1.35 -1.47 -3.28 112.91 111.81 3di6 h THR 403 Ca -0.01 -1.32 -0.27 0.00 -0.55 0.00 0.00 66.41 64.26 3di6 h THR 403 Cb 1.24 1.81 -0.05 0.00 -1.73 0.00 0.00 68.15 69.42 3di6 h THR 403 CO 0.04 0.31 -1.99 -0.62 -0.25 0.00 0.00 175.52 173.01 3di6 n GLU 404 N -3.56 0.66 -1.46 4.72 1.02 -1.09 -4.98 120.64 115.95 3di6 n GLU 404 Ca -0.00 0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 3di6 n GLU 404 Cb 0.46 -1.64 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3di6 n GLU 404 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3di6 s TYR 405 N -2.72 2.66 -0.53 -0.32 5.04 -0.42 -4.99 117.35 116.07 3di6 s TYR 405 Ca -0.07 1.54 0.23 0.00 -2.44 0.00 0.00 57.07 56.32 3di6 s TYR 405 Cb 0.08 -3.06 -0.01 0.00 0.35 0.00 0.00 41.96 39.32 3di6 s TYR 405 CO 0.83 -1.68 0.97 -2.67 -1.34 0.00 0.00 175.55 171.66 3di6 n TRP 406 N -3.13 0.29 -2.85 4.97 2.14 -1.26 -4.87 117.44 112.73 3di6 n TRP 406 Ca 0.09 0.09 -0.32 0.00 2.07 0.00 0.00 57.50 59.42 3di6 n TRP 406 Cb 0.53 -0.47 -0.06 0.00 -0.81 0.00 0.00 31.31 30.50 3di6 n TRP 406 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 3di6 s GLN 407 N -3.24 4.06 0.22 -2.67 -1.52 -1.26 -5.06 119.66 110.20 3di6 s GLN 407 Ca 0.02 0.88 -0.24 0.00 -1.95 0.00 0.00 55.36 54.07 3di6 s GLN 407 Cb 0.14 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.57 3di6 s GLN 407 CO 0.81 -0.01 0.80 0.00 -0.25 0.00 0.00 175.29 176.64 3di6 s ALA 408 N -2.22 3.38 0.31 6.09 0.00 -1.26 -5.03 121.76 123.03 3di6 s ALA 408 Ca 0.58 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 3di6 s ALA 408 Cb -0.10 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.08 3di6 s ALA 408 CO 0.20 0.27 0.68 -0.08 0.00 0.00 0.00 175.76 176.83 3di6 s THR 409 N -1.38 0.00 -0.30 0.00 -1.32 -1.26 -5.17 115.64 106.22 3di6 s THR 409 Ca 0.42 -1.12 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 3di6 s THR 409 Cb -0.20 -2.36 0.17 0.00 -1.51 0.00 0.00 72.50 68.60 3di6 s THR 409 CO 0.24 0.00 1.02 0.86 -2.21 0.00 0.00 174.62 174.53 3di6 s TRP 410 N -3.37 -0.58 0.10 9.09 -0.11 -1.26 -5.11 118.94 117.70 3di6 s TRP 410 Ca 0.16 1.04 0.06 0.00 1.22 0.00 0.00 56.10 58.58 3di6 s TRP 410 Cb -0.04 0.35 -0.04 0.00 -1.50 0.00 0.00 33.47 32.23 3di6 s TRP 410 CO 0.10 -0.29 -0.06 0.96 -4.62 0.00 0.00 176.95 173.04 3di6 s ILE 411 N 2.10 3.64 1.08 5.86 -4.36 -1.26 -5.06 121.20 123.20 3di6 s ILE 411 Ca -0.04 -1.17 -0.18 0.00 -0.26 0.00 0.00 60.65 58.99 3di6 s ILE 411 Cb -0.05 -2.72 0.27 0.00 1.25 0.00 0.00 42.46 41.20 3di6 s ILE 411 CO -0.16 0.10 1.01 -0.81 0.24 0.00 0.00 174.94 175.31 3di6 n PRO 412 N 0.60 -2.76 -1.43 0.37 -0.04 -1.26 -4.86 135.00 125.62 3di6 n PRO 412 Ca -0.12 -1.60 -0.56 0.00 -0.04 0.00 0.00 63.50 61.18 3di6 n PRO 412 Cb 0.52 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 3di6 n PRO 412 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3di6 n GLU 413 N -4.41 0.00 -3.86 0.54 2.13 -1.26 -4.80 120.64 108.98 3di6 n GLU 413 Ca 0.14 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.87 3di6 n GLU 413 Cb 0.53 -1.26 -0.07 0.00 0.27 0.00 0.00 31.44 30.91 3di6 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3di6 s TRP 414 N 2.11 0.17 0.05 4.31 1.48 -1.26 -1.46 118.94 124.34 3di6 s TRP 414 Ca 0.86 -0.58 0.02 0.00 -1.06 0.00 0.00 56.10 55.34 3di6 s TRP 414 Cb -1.22 -0.04 -0.03 0.00 -1.16 0.00 0.00 33.47 31.02 3di6 s TRP 414 CO 0.65 -0.59 -0.07 -1.21 -4.06 0.00 0.00 176.95 171.68 3di6 s GLU 415 N -3.87 0.54 0.26 3.25 2.02 -0.22 -4.96 118.70 115.72 3di6 s GLU 415 Ca 0.07 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3di6 s GLU 415 Cb 0.04 -0.24 -0.09 0.00 0.10 0.00 0.00 34.13 33.94 3di6 s GLU 415 CO -0.09 0.03 1.06 0.12 0.02 0.00 0.00 175.26 176.40 3di6 s PHE 416 N -1.66 3.69 -0.03 1.61 5.36 -1.26 -0.35 117.98 125.34 3di6 s PHE 416 Ca -0.08 1.75 -0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3di6 s PHE 416 Cb -0.08 -3.20 0.03 0.00 -0.34 0.00 0.00 43.02 39.42 3di6 s PHE 416 CO -0.00 -0.28 0.02 0.54 -1.46 0.00 0.00 175.22 174.03 3di6 s VAL 417 N -1.10 0.08 -1.23 3.12 0.11 -0.39 -4.81 120.40 116.18 3di6 s VAL 417 Ca 0.44 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 59.48 3di6 s VAL 417 Cb -0.30 -0.21 0.10 0.00 -1.53 0.00 0.00 36.38 34.44 3di6 s VAL 417 CO 0.38 0.14 1.60 0.21 -3.33 0.00 0.00 175.10 174.10 3di6 s ASN 418 N 1.21 6.86 -0.58 3.54 3.84 -1.26 -4.12 114.94 124.43 3di6 s ASN 418 Ca -0.07 -2.47 0.04 0.00 0.21 0.00 0.00 52.86 50.57 3di6 s ASN 418 Cb -0.13 -2.52 0.15 0.00 -0.55 0.00 0.00 41.25 38.19 3di6 s ASN 418 CO -0.02 -1.09 0.35 0.42 -2.79 0.00 0.00 177.10 173.97 3di6 s THR 419 N 3.52 2.49 0.87 -5.21 -4.23 -1.26 -5.11 115.64 106.70 3di6 s THR 419 Ca 0.49 -3.58 -0.10 0.00 -1.18 0.00 0.00 61.69 57.32 3di6 s THR 419 Cb 0.01 -2.69 0.11 0.00 1.34 0.00 0.00 72.50 71.28 3di6 s THR 419 CO 0.03 -0.91 1.12 -2.84 -0.54 0.00 0.00 174.62 171.48 3di6 s PRO 420 N -0.66 1.45 0.28 3.99 0.02 -1.26 -4.57 135.00 134.26 3di6 s PRO 420 Ca 0.21 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 3di6 s PRO 420 Cb -0.16 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 3di6 s PRO 420 CO -0.07 -2.26 1.22 -1.25 -0.33 0.00 0.00 177.00 174.30 3di6 s PRO 421 N -4.76 4.48 0.20 5.54 0.04 -1.26 -4.93 135.00 134.32 3di6 s PRO 421 Ca 0.64 2.00 -0.23 0.00 0.04 0.00 0.00 61.00 63.46 3di6 s PRO 421 Cb -0.20 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 3di6 s PRO 421 CO 0.57 -0.03 0.77 -0.51 0.04 0.00 0.00 177.00 177.84 3di6 s LEU 422 N -1.28 4.46 -0.09 -3.56 1.02 -1.26 -4.58 118.68 113.40 3di6 s LEU 422 Ca 0.49 1.56 -0.30 0.00 0.02 0.00 0.00 54.13 55.90 3di6 s LEU 422 Cb -0.36 -3.48 -0.02 0.00 0.02 0.00 0.00 46.19 42.35 3di6 s LEU 422 CO 0.45 0.11 1.12 -0.69 0.02 0.00 0.00 176.35 177.36 3di6 s VAL 423 N -1.35 4.48 0.02 -1.59 1.01 0.77 -5.02 120.40 118.72 3di6 s VAL 423 Ca 0.40 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 64.03 3di6 s VAL 423 Cb -0.20 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.05 3di6 s VAL 423 CO 0.24 -0.01 0.28 -1.59 0.00 0.00 0.00 175.10 174.01 3di6 s LYS 424 N 2.24 0.72 0.13 2.72 -2.85 -1.26 -4.46 119.74 116.98 3di6 s LYS 424 Ca 0.52 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.78 3di6 s LYS 424 Cb -0.22 0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 35.80 3di6 s LYS 424 CO 0.19 -0.21 1.00 -0.51 0.10 0.00 0.00 175.35 175.92 3di6 s LEU 425 N -1.77 4.50 0.09 2.77 1.43 -1.26 -4.81 118.68 119.63 3di6 s LEU 425 Ca -0.09 1.88 0.23 0.00 -1.03 0.00 0.00 54.13 55.13 3di6 s LEU 425 Cb -0.03 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3di6 s LEU 425 CO -0.00 -0.11 1.02 0.79 0.23 0.00 0.00 176.35 178.27 3di6 n TRP 426 N 2.68 0.47 -3.74 0.29 7.02 -1.26 -4.93 117.44 117.96 3di6 n TRP 426 Ca 0.02 0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.54 3di6 n TRP 426 Cb 0.48 -0.62 -0.04 0.00 -2.42 0.00 0.00 31.31 28.72 3di6 n TRP 426 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 3di6 s TYR 427 N -3.27 -0.08 -0.04 -5.99 -0.85 -1.26 -4.74 117.35 101.12 3di6 s TYR 427 Ca 0.02 -0.26 -0.01 0.00 -0.52 0.00 0.00 57.07 56.30 3di6 s TYR 427 Cb 0.13 0.33 0.03 0.00 0.38 0.00 0.00 41.96 42.83 3di6 s TYR 427 CO 0.80 -0.87 0.03 -1.14 -1.52 0.00 0.00 175.55 172.85 3di6 s GLN 428 N -3.87 0.09 0.50 -3.49 0.74 -1.26 -5.00 119.66 107.37 3di6 s GLN 428 Ca 0.09 0.24 -0.21 0.00 0.05 0.00 0.00 55.36 55.53 3di6 s GLN 428 Cb -0.00 -0.50 -0.07 0.00 1.10 0.00 0.00 33.01 33.54 3di6 s GLN 428 CO -0.04 -0.25 1.13 -0.51 -0.55 0.00 0.00 175.29 175.07 3di6 s LEU 429 N 1.65 3.88 0.52 3.68 1.43 -1.26 -4.62 118.68 123.96 3di6 s LEU 429 Ca -0.01 2.20 -0.19 0.00 -1.03 0.00 0.00 54.13 55.10 3di6 s LEU 429 Cb -0.13 -4.43 -0.07 0.00 0.03 0.00 0.00 46.19 41.60 3di6 s LEU 429 CO -0.03 -1.03 1.05 -1.61 0.23 0.00 0.00 176.35 174.97 3di6 s GLU 430 N -3.01 3.63 0.12 1.70 0.41 0.13 -4.97 118.70 116.70 3di6 s GLU 430 Ca 0.68 1.35 0.13 0.00 -0.41 0.00 0.00 54.97 56.71 3di6 s GLU 430 Cb -0.25 -2.07 -0.12 0.00 -1.78 0.00 0.00 34.13 29.91 3di6 s GLU 430 CO 0.29 -0.57 1.08 0.87 -0.49 0.00 0.00 175.26 176.44 3di6 h LYS 431 N 1.23 0.00 -6.09 1.61 6.56 -1.95 -3.44 116.57 114.49 3di6 h LYS 431 Ca -0.49 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 58.55 3di6 h LYS 431 Cb 1.22 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.70 3di6 h LYS 431 CO 0.58 0.58 -0.80 -1.21 -2.06 0.00 0.00 179.45 176.54 3di6 s GLU 432 N -2.81 1.28 0.66 3.15 0.41 -1.26 -5.11 118.70 115.01 3di6 s GLU 432 Ca -0.00 -1.37 -0.18 0.00 -0.41 0.00 0.00 54.97 53.01 3di6 s GLU 432 Cb 0.09 -1.42 -0.00 0.00 -1.78 0.00 0.00 34.13 31.01 3di6 s GLU 432 CO 0.80 0.30 1.29 -1.25 -0.49 0.00 0.00 175.26 175.91 3di6 s PRO 433 N -2.57 2.47 -0.27 0.39 0.04 -1.26 -4.83 135.00 128.97 3di6 s PRO 433 Ca 0.14 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 3di6 s PRO 433 Cb -0.07 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 3di6 s PRO 433 CO 0.06 -1.65 0.23 0.42 0.04 0.00 0.00 177.00 176.10 3di6 s ILE 434 N -1.45 5.29 0.35 0.56 1.01 -1.26 -5.07 121.20 120.63 3di6 s ILE 434 Ca 0.82 0.27 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 3di6 s ILE 434 Cb -0.37 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3di6 s ILE 434 CO 0.41 0.24 1.13 -0.69 0.00 0.00 0.00 174.94 176.03 3di6 s VAL 435 N 1.73 3.36 -0.20 2.92 1.01 -1.26 -3.28 120.40 124.69 3di6 s VAL 435 Ca 0.09 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3di6 s VAL 435 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3di6 s VAL 435 CO 0.10 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3di6 n GLY 436 N 0.79 0.53 3.32 4.51 0.00 -1.26 -5.02 105.19 108.06 3di6 n GLY 436 Ca 0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3di6 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3di6 s ALA 437 N -1.95 2.09 0.07 4.61 0.00 -1.21 -5.05 121.76 120.33 3di6 s ALA 437 Ca 0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.44 3di6 s ALA 437 Cb 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 3di6 s ALA 437 CO 0.00 0.49 1.29 -2.00 0.00 0.00 0.00 175.76 175.54 3di6 s GLU 438 N -1.28 4.37 -0.34 0.00 2.12 -1.26 -4.69 118.70 117.61 3di6 s GLU 438 Ca 0.10 1.90 -0.24 0.00 0.36 0.00 0.00 54.97 57.10 3di6 s GLU 438 Cb -0.10 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.97 3di6 s GLU 438 CO 0.02 -0.36 0.83 0.99 -0.54 0.00 0.00 175.26 176.20 3di6 s THR 439 N 1.22 4.71 -0.39 -1.70 2.01 -1.26 -2.13 115.64 118.10 3di6 s THR 439 Ca 0.61 1.08 -0.18 0.00 0.31 0.00 0.00 61.69 63.52 3di6 s THR 439 Cb -0.32 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 67.97 3di6 s THR 439 CO 0.29 -0.40 0.48 -0.36 -0.69 0.00 0.00 174.62 173.95 3di6 s PHE 440 N 3.15 3.16 -0.37 4.92 0.40 0.42 -2.49 117.98 127.17 3di6 s PHE 440 Ca 0.34 -0.09 -0.23 0.00 -0.60 0.00 0.00 56.93 56.35 3di6 s PHE 440 Cb -0.13 -2.95 0.01 0.00 0.51 0.00 0.00 43.02 40.46 3di6 s PHE 440 CO 0.16 -0.64 0.79 0.71 0.70 0.00 0.00 175.22 176.94 3di6 s TYR 441 N 2.32 3.10 0.23 0.36 1.51 0.35 -0.24 117.35 124.98 3di6 s TYR 441 Ca 0.16 0.53 0.07 0.00 -1.01 0.00 0.00 57.07 56.82 3di6 s TYR 441 Cb -0.16 -3.43 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 3di6 s TYR 441 CO 0.14 -0.76 0.12 0.14 -1.11 0.00 0.00 175.55 174.09 3di6 s VAL 442 N 3.13 4.17 -0.00 0.71 -7.23 0.31 -1.72 120.40 119.77 3di6 s VAL 442 Ca 0.31 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.75 3di6 s VAL 442 Cb -0.13 -3.21 0.09 0.00 0.56 0.00 0.00 36.38 33.69 3di6 s VAL 442 CO 0.17 -0.29 0.78 -0.62 -0.31 0.00 0.00 175.10 174.84 3di6 s ASP 443 N -3.59 -0.49 0.01 4.85 2.15 -1.05 -4.45 116.67 114.10 3di6 s ASP 443 Ca 0.32 0.24 0.03 0.00 0.43 0.00 0.00 52.55 53.56 3di6 s ASP 443 Cb -0.08 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 3di6 s ASP 443 CO 0.23 -0.66 -0.08 -0.83 -0.17 0.00 0.00 175.17 173.66 3di6 s GLY 444 N -2.00 0.44 -0.04 2.66 0.00 -1.26 -2.62 107.32 104.50 3di6 s GLY 444 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 3di6 s GLY 444 CO -0.04 -0.41 0.10 0.00 0.00 0.00 0.00 173.10 172.75 3di6 s ALA 445 N -0.42 -0.17 -0.04 3.20 0.00 -0.62 -4.67 121.76 119.04 3di6 s ALA 445 Ca 0.01 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3di6 s ALA 445 Cb -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3di6 s ALA 445 CO -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 175.76 175.61 3di6 s ALA 446 N 0.77 0.61 -0.08 0.00 0.00 -1.26 -0.46 121.76 121.33 3di6 s ALA 446 Ca -0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 3di6 s ALA 446 Cb -0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3di6 s ALA 446 CO -0.03 -0.01 1.46 1.21 0.00 0.00 0.00 175.76 178.39 3di6 s ASN 447 N 0.88 6.81 0.47 0.00 3.84 -0.89 -4.81 114.94 121.25 3di6 s ASN 447 Ca -0.11 2.01 0.13 0.00 0.21 0.00 0.00 52.86 55.10 3di6 s ASN 447 Cb -0.14 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.12 3di6 s ASN 447 CO 0.00 -0.82 2.10 -0.09 -2.79 0.00 0.00 177.10 175.50 3di6 h ARG 448 N 8.67 0.24 0.00 0.43 9.65 -1.96 -0.87 114.38 130.54 3di6 h ARG 448 Ca -0.34 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.34 3di6 h ARG 448 Cb 1.15 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.65 3di6 h ARG 448 CO 0.95 0.16 -1.02 0.93 2.80 0.00 0.00 179.97 183.78 3di6 h GLU 449 N 0.24 0.00 -0.00 0.20 3.07 -1.99 -3.39 114.58 112.71 3di6 h GLU 449 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3di6 h GLU 449 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3di6 h GLU 449 CO -0.02 0.87 -0.16 0.25 -1.40 0.00 0.00 179.01 178.55 3di6 n THR 450 N -4.48 0.00 -2.95 1.13 -2.24 -1.23 -4.94 114.28 99.58 3di6 n THR 450 Ca -0.26 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.28 3di6 n THR 450 Cb 0.60 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3di6 n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3di6 n LYS 451 N -1.02 -3.06 -3.77 -0.78 4.01 -0.34 -4.69 118.16 108.51 3di6 n LYS 451 Ca 0.12 0.55 -0.36 0.00 -0.51 0.00 0.00 58.31 58.12 3di6 n LYS 451 Cb 0.30 -5.22 -0.10 0.00 -0.51 0.00 0.00 35.03 29.50 3di6 n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3di6 s LEU 452 N -6.12 3.96 0.27 -0.35 1.43 -1.25 0.20 118.68 116.81 3di6 s LEU 452 Ca 0.22 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 3di6 s LEU 452 Cb -0.12 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3di6 s LEU 452 CO 0.27 0.09 0.11 -0.83 0.23 0.00 0.00 176.35 176.22 3di6 s GLY 453 N 0.88 1.58 -0.11 -3.19 0.00 0.85 -2.08 107.32 105.25 3di6 s GLY 453 Ca 0.06 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.18 3di6 s GLY 453 CO 0.03 -1.61 0.05 0.54 0.00 0.00 0.00 173.10 172.11 3di6 s LYS 454 N -3.78 0.26 -0.09 2.90 -0.14 0.39 -1.42 119.74 117.86 3di6 s LYS 454 Ca 0.33 0.06 0.03 0.00 -1.36 0.00 0.00 55.97 55.03 3di6 s LYS 454 Cb -0.07 -1.24 -0.01 0.00 -1.68 0.00 0.00 37.83 34.83 3di6 s LYS 454 CO 0.23 -0.46 -0.18 0.00 -0.76 0.00 0.00 175.35 174.17 3di6 s ALA 455 N 2.06 2.43 0.00 5.17 0.00 -1.21 -1.58 121.76 128.63 3di6 s ALA 455 Ca 0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 3di6 s ALA 455 Cb -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.04 3di6 s ALA 455 CO -0.06 0.38 0.01 0.41 0.00 0.00 0.00 175.76 176.50 3di6 n GLY 456 N 3.07 1.24 3.76 0.00 0.00 -1.08 -0.73 105.19 111.45 3di6 n GLY 456 Ca -0.18 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 3di6 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3di6 s TYR 457 N -5.71 0.05 0.02 1.61 -0.85 -0.20 -2.52 117.35 109.75 3di6 s TYR 457 Ca 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 57.07 56.07 3di6 s TYR 457 Cb -0.00 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 3di6 s TYR 457 CO 0.00 -1.19 -0.05 0.08 -1.52 0.00 0.00 175.55 172.87 3di6 s VAL 458 N -3.78 0.31 0.39 -3.49 1.01 -0.70 -2.12 120.40 112.02 3di6 s VAL 458 Ca 0.16 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3di6 s VAL 458 Cb -0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 3di6 s VAL 458 CO 0.08 -0.31 -0.01 0.42 0.00 0.00 0.00 175.10 175.28 3di6 s THR 459 N -1.08 2.10 -0.54 3.92 -4.23 0.12 -0.49 115.64 115.43 3di6 s THR 459 Ca -0.09 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 58.62 3di6 s THR 459 Cb -0.08 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.11 3di6 s THR 459 CO -0.00 -0.06 1.73 -0.46 -0.54 0.00 0.00 174.62 175.29 3di6 n ASN 460 N -0.94 0.70 -1.42 3.99 6.94 -1.04 -1.96 115.26 121.53 3di6 n ASN 460 Ca -0.05 0.64 0.08 0.00 -0.02 0.00 0.00 54.58 55.24 3di6 n ASN 460 Cb 0.66 -0.80 0.31 0.00 -2.36 0.00 0.00 39.78 37.59 3di6 n ASN 460 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3di6 n ARG 461 N -2.24 3.38 -0.67 -3.83 1.74 -1.26 -4.94 116.66 108.84 3di6 n ARG 461 Ca 0.03 -2.47 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 3di6 n ARG 461 Cb 0.28 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3di6 n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3di6 n GLY 462 N 1.03 1.29 3.75 -0.13 0.00 -0.83 -5.00 105.19 105.30 3di6 n GLY 462 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3di6 n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3di6 s ARG 463 N -0.14 4.37 -0.00 1.61 0.52 -1.26 -4.76 118.95 119.29 3di6 s ARG 463 Ca 0.00 2.13 -0.01 0.00 -0.52 0.00 0.00 55.73 57.34 3di6 s ARG 463 Cb 0.00 -3.14 -0.00 0.00 0.52 0.00 0.00 34.95 32.33 3di6 s ARG 463 CO 0.00 -0.24 0.01 -0.65 0.02 0.00 0.00 175.30 174.45 3di6 s GLN 464 N -0.73 0.06 -0.12 3.54 -0.21 -1.26 0.14 119.66 121.08 3di6 s GLN 464 Ca 0.54 -0.06 -0.29 0.00 0.02 0.00 0.00 55.36 55.57 3di6 s GLN 464 Cb -0.38 0.02 0.08 0.00 1.00 0.00 0.00 33.01 33.73 3di6 s GLN 464 CO 0.44 -0.01 0.75 0.21 -2.12 0.00 0.00 175.29 174.56 3di6 s LYS 465 N -0.19 0.92 -0.24 2.91 2.20 -0.90 -5.01 119.74 119.44 3di6 s LYS 465 Ca -0.02 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.96 3di6 s LYS 465 Cb -0.01 0.44 0.13 0.00 -1.51 0.00 0.00 37.83 36.87 3di6 s LYS 465 CO -0.00 -0.25 0.35 0.08 -0.36 0.00 0.00 175.35 175.17 3di6 s VAL 466 N -0.81 -0.55 0.70 4.02 1.01 -1.26 -1.03 120.40 122.47 3di6 s VAL 466 Ca -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3di6 s VAL 466 Cb -0.01 -0.80 0.11 0.00 0.00 0.00 0.00 36.38 35.68 3di6 s VAL 466 CO 0.06 -0.15 0.97 0.68 0.00 0.00 0.00 175.10 176.67 3di6 s VAL 467 N 2.51 2.24 -0.15 2.92 -7.23 0.09 -4.96 120.40 115.81 3di6 s VAL 467 Ca 0.12 -0.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.77 3di6 s VAL 467 Cb -0.15 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.09 3di6 s VAL 467 CO -0.16 0.00 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.54 3di6 s THR 468 N -3.13 2.15 0.27 5.32 2.01 -1.26 -3.31 115.64 117.70 3di6 s THR 468 Ca 0.64 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.80 3di6 s THR 468 Cb -0.07 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3di6 s THR 468 CO 0.44 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 174.16 3di6 s LEU 469 N 0.95 3.23 -0.04 4.42 1.02 -0.51 -4.97 118.68 122.78 3di6 s LEU 469 Ca -0.04 -0.64 -0.02 0.00 0.02 0.00 0.00 54.13 53.46 3di6 s LEU 469 Cb -0.15 -1.75 0.03 0.00 0.02 0.00 0.00 46.19 44.34 3di6 s LEU 469 CO -0.04 -0.02 0.08 0.42 0.02 0.00 0.00 176.35 176.80 3di6 s THR 470 N -2.32 -0.04 -1.28 5.49 -4.23 -1.26 -0.10 115.64 111.89 3di6 s THR 470 Ca 0.32 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 3di6 s THR 470 Cb -0.06 -0.14 -0.00 0.00 1.34 0.00 0.00 72.50 73.64 3di6 s THR 470 CO 0.20 0.06 0.73 -0.67 -0.54 0.00 0.00 174.62 174.40 3di6 n ASP 471 N 3.82 -1.62 -4.36 3.99 2.03 0.13 -4.96 116.55 115.59 3di6 n ASP 471 Ca -0.22 -0.82 -0.25 0.00 0.52 0.00 0.00 54.79 54.02 3di6 n ASP 471 Cb 0.54 -4.13 -0.12 0.00 -0.72 0.00 0.00 41.12 36.69 3di6 n ASP 471 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3di6 s THR 472 N -3.63 2.04 0.85 5.18 -4.23 -1.11 -5.07 115.64 109.66 3di6 s THR 472 Ca 0.04 -1.82 -0.10 0.00 -1.18 0.00 0.00 61.69 58.63 3di6 s THR 472 Cb -0.01 -1.88 0.15 0.00 1.34 0.00 0.00 72.50 72.10 3di6 s THR 472 CO 0.81 -0.11 1.18 0.42 -0.54 0.00 0.00 174.62 176.37 3di6 s THR 473 N -1.52 2.07 0.29 3.99 -4.23 -1.26 -4.61 115.64 110.38 3di6 s THR 473 Ca 0.14 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 3di6 s THR 473 Cb -0.08 -2.85 0.15 0.00 1.34 0.00 0.00 72.50 71.06 3di6 s THR 473 CO 0.07 0.00 1.83 0.78 -0.54 0.00 0.00 174.62 176.76 3di6 h ASN 474 N -1.14 0.71 -0.62 3.99 2.35 -1.93 -2.86 115.58 116.07 3di6 h ASN 474 Ca -0.42 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.16 3di6 h ASN 474 Cb 1.26 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 3di6 h ASN 474 CO 0.43 0.72 0.24 1.56 -1.65 0.00 0.00 177.43 178.72 3di6 h GLN 475 N 0.73 0.94 -0.61 0.81 4.20 -1.96 -2.59 115.11 116.63 3di6 h GLN 475 Ca 0.16 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3di6 h GLN 475 Cb 0.31 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3di6 h GLN 475 CO 0.00 0.80 0.02 0.87 -0.67 0.00 0.00 178.83 179.86 3di6 h LYS 476 N 0.88 1.06 -0.64 1.46 1.57 -1.92 -2.76 116.57 116.21 3di6 h LYS 476 Ca 0.21 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3di6 h LYS 476 Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3di6 h LYS 476 CO -0.01 1.02 0.09 1.79 -0.57 0.00 0.00 179.45 181.76 3di6 h THR 477 N 0.97 1.26 0.00 -0.16 1.35 -1.36 0.35 112.91 115.32 3di6 h THR 477 Ca 0.18 -1.04 -0.07 0.00 -0.55 0.00 0.00 66.41 64.93 3di6 h THR 477 Cb 0.53 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3di6 h THR 477 CO 0.03 0.39 -0.31 -0.33 -0.25 0.00 0.00 175.52 175.04 3di6 h GLU 478 N 0.99 0.00 0.13 4.72 4.39 -1.44 0.16 114.58 123.54 3di6 h GLU 478 Ca 0.19 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.62 3di6 h GLU 478 Cb 0.45 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3di6 h GLU 478 CO 0.01 0.31 -1.23 -0.07 -1.16 0.00 0.00 179.01 176.87 3di6 h LEU 479 N 0.00 0.46 -0.76 1.33 3.38 -1.12 -3.10 115.31 115.50 3di6 h LEU 479 Ca -0.00 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 3di6 h LEU 479 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3di6 h LEU 479 CO 0.04 1.37 0.18 -0.61 0.09 0.00 0.00 178.44 179.51 3di6 h GLN 480 N 0.09 1.12 -0.34 1.13 5.75 0.17 -1.89 115.11 121.13 3di6 h GLN 480 Ca -0.14 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.13 3di6 h GLN 480 Cb 1.95 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 30.32 3di6 h GLN 480 CO 0.21 0.98 0.16 0.00 -2.65 0.00 0.00 178.83 177.52 3di6 h ALA 481 N 1.13 0.42 -0.57 3.38 0.00 -0.76 -0.33 119.26 122.52 3di6 h ALA 481 Ca 0.22 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3di6 h ALA 481 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3di6 h ALA 481 CO 0.00 -0.22 0.09 0.82 0.00 0.00 0.00 179.25 179.95 3di6 h ILE 482 N 0.34 1.25 -0.41 0.00 2.04 -1.43 -1.77 117.51 117.52 3di6 h ILE 482 Ca 0.15 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3di6 h ILE 482 Cb 0.07 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3di6 h ILE 482 CO -0.11 0.35 0.13 0.22 0.00 0.00 0.00 178.15 178.73 3di6 h TYR 483 N 0.87 0.66 -0.15 1.37 3.20 -1.01 -1.94 116.97 119.98 3di6 h TYR 483 Ca 0.18 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3di6 h TYR 483 Cb 0.39 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3di6 h TYR 483 CO 0.02 0.62 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.99 3di6 h LEU 484 N 0.52 -0.33 -1.19 2.82 3.38 -0.71 -0.54 115.31 119.26 3di6 h LEU 484 Ca 0.13 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.27 3di6 h LEU 484 Cb 0.27 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3di6 h LEU 484 CO -0.00 -0.14 0.58 0.00 0.09 0.00 0.00 178.44 178.97 3di6 h ALA 485 N 1.01 1.62 -0.19 1.53 0.00 -1.18 -1.15 119.26 120.89 3di6 h ALA 485 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3di6 h ALA 485 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3di6 h ALA 485 CO -0.22 0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 179.03 3di6 h LEU 486 N 0.91 0.46 -0.70 0.00 3.38 -0.80 -3.00 115.31 115.56 3di6 h LEU 486 Ca 0.41 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3di6 h LEU 486 Cb 0.38 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3di6 h LEU 486 CO -0.17 0.81 0.45 1.56 0.09 0.00 0.00 178.44 181.17 3di6 h GLN 487 N 0.12 0.86 -0.57 1.13 4.20 -0.56 -3.19 115.11 117.10 3di6 h GLN 487 Ca 0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3di6 h GLN 487 Cb 0.66 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3di6 h GLN 487 CO 0.04 0.57 0.00 -0.25 -0.67 0.00 0.00 178.83 178.52 3di6 n ASP 488 N -4.64 3.09 -4.75 1.46 8.00 -0.49 -4.95 116.55 114.27 3di6 n ASP 488 Ca 0.07 -2.04 -0.25 0.00 0.71 0.00 0.00 54.79 53.28 3di6 n ASP 488 Cb 0.06 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 3di6 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3di6 s SER 489 N -0.98 4.42 0.62 -2.24 1.04 -1.14 -5.05 113.70 110.38 3di6 s SER 489 Ca 0.38 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3di6 s SER 489 Cb 0.20 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3di6 s SER 489 CO 0.25 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3di6 n GLY 490 N -1.28 -1.31 0.05 7.32 0.00 -1.26 -4.93 105.19 103.78 3di6 n GLY 490 Ca -0.02 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.50 3di6 n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3di6 n LEU 491 N 0.00 0.28 -4.08 0.99 4.77 -1.26 -4.60 117.00 113.10 3di6 n LEU 491 Ca 0.00 0.56 -0.24 0.00 -0.03 0.00 0.00 56.01 56.29 3di6 n LEU 491 Cb 0.00 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.43 3di6 n LEU 491 CO 0.00 -0.30 -0.48 -1.61 -1.33 0.00 0.00 177.39 173.67 3di6 s GLU 492 N -3.10 1.59 -0.22 3.23 2.02 -1.26 -0.13 118.70 120.82 3di6 s GLU 492 Ca 0.08 -0.50 -0.17 0.00 0.02 0.00 0.00 54.97 54.39 3di6 s GLU 492 Cb 0.11 -1.38 0.06 0.00 0.10 0.00 0.00 34.13 33.03 3di6 s GLU 492 CO 0.38 0.17 0.57 0.54 0.02 0.00 0.00 175.26 176.94 3di6 s VAL 493 N 0.19 -0.00 -0.06 2.63 0.11 -0.82 -4.27 120.40 118.18 3di6 s VAL 493 Ca -0.06 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 58.87 3di6 s VAL 493 Cb -0.12 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 3di6 s VAL 493 CO 0.02 0.01 0.36 0.20 -3.33 0.00 0.00 175.10 172.36 3di6 s ASN 494 N 0.79 6.67 -0.07 3.54 0.01 -0.91 -1.92 114.94 123.04 3di6 s ASN 494 Ca -0.04 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 52.93 3di6 s ASN 494 Cb -0.05 -2.22 0.01 0.00 0.41 0.00 0.00 41.25 39.40 3di6 s ASN 494 CO -0.06 0.25 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.01 3di6 s ILE 495 N -0.57 1.28 -0.18 0.60 1.01 -0.01 -0.44 121.20 122.89 3di6 s ILE 495 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3di6 s ILE 495 Cb -0.15 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 3di6 s ILE 495 CO 0.10 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 174.62 3di6 s VAL 496 N 0.63 2.94 0.21 2.92 1.01 0.67 -0.82 120.40 127.95 3di6 s VAL 496 Ca -0.15 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.26 3di6 s VAL 496 Cb -0.16 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3di6 s VAL 496 CO 0.04 0.49 -0.17 0.28 0.00 0.00 0.00 175.10 175.74 3di6 s THR 497 N 1.05 1.95 -1.45 3.92 -1.32 -0.28 -0.53 115.64 118.98 3di6 s THR 497 Ca -0.00 -2.17 0.16 0.00 -1.21 0.00 0.00 61.69 58.47 3di6 s THR 497 Cb -0.15 -2.05 0.47 0.00 -1.51 0.00 0.00 72.50 69.26 3di6 s THR 497 CO -0.02 -0.46 1.39 -0.90 -2.21 0.00 0.00 174.62 172.42 3di6 n ASP 498 N -0.23 3.41 -4.42 8.08 3.85 -1.26 -1.29 116.55 124.68 3di6 n ASP 498 Ca -0.09 -1.99 -0.44 0.00 -0.71 0.00 0.00 54.79 51.56 3di6 n ASP 498 Cb 0.59 -0.35 -0.08 0.00 -1.35 0.00 0.00 41.12 39.93 3di6 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3di6 s SER 499 N -1.01 6.15 0.37 -1.12 0.15 -1.26 -4.57 113.70 112.40 3di6 s SER 499 Ca 0.35 -1.10 0.04 0.00 0.70 0.00 0.00 55.95 55.95 3di6 s SER 499 Cb 0.19 -2.19 0.71 0.00 -1.71 0.00 0.00 66.02 63.01 3di6 s SER 499 CO 0.24 -0.60 2.00 -0.61 1.20 0.00 0.00 173.24 175.47 3di6 h GLN 500 N 8.73 0.66 0.52 5.44 4.15 -1.94 -2.17 115.11 130.49 3di6 h GLN 500 Ca -0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 3di6 h GLN 500 Cb 1.11 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 3di6 h GLN 500 CO 0.83 0.48 -0.28 -0.92 -1.93 0.00 0.00 178.83 177.01 3di6 h TYR 501 N 0.67 -0.74 -0.47 3.99 3.20 -2.00 0.35 116.97 121.97 3di6 h TYR 501 Ca 0.17 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3di6 h TYR 501 Cb 0.01 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3di6 h TYR 501 CO 0.00 -0.45 0.23 0.00 -1.64 0.00 0.00 178.16 176.31 3di6 h ALA 502 N -0.28 0.59 0.29 1.82 0.00 -1.90 -2.45 119.26 117.33 3di6 h ALA 502 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3di6 h ALA 502 Cb 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3di6 h ALA 502 CO 0.09 -0.12 -0.39 1.25 0.00 0.00 0.00 179.25 180.08 3di6 h LEU 503 N 0.46 -1.08 -0.56 0.00 5.85 -1.28 -2.29 115.31 116.40 3di6 h LEU 503 Ca 0.21 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.13 3di6 h LEU 503 Cb 0.13 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 3di6 h LEU 503 CO -0.15 -0.51 -0.30 1.23 -0.34 0.00 0.00 178.44 178.37 3di6 h GLY 504 N -0.73 -0.03 0.74 3.75 0.00 -0.68 0.30 103.07 106.42 3di6 h GLY 504 Ca -0.01 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.74 3di6 h GLY 504 CO -0.12 -0.22 0.06 -2.22 0.00 0.00 0.00 176.54 174.05 3di6 h ILE 505 N -0.15 0.90 0.01 2.60 2.04 -1.32 -3.03 117.51 118.56 3di6 h ILE 505 Ca 0.23 -0.06 -0.20 0.00 1.00 0.00 0.00 64.86 65.84 3di6 h ILE 505 Cb 0.54 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3di6 h ILE 505 CO -0.65 0.03 -0.92 0.40 0.00 0.00 0.00 178.15 177.01 3di6 h ILE 506 N 0.16 1.58 0.00 -0.67 2.04 -0.78 -3.14 117.51 116.71 3di6 h ILE 506 Ca 0.11 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 63.05 3di6 h ILE 506 Cb 0.10 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3di6 h ILE 506 CO -0.14 0.84 0.00 0.00 0.00 0.00 0.00 178.15 178.85 3di6 n GLN 507 N -3.54 0.20 -0.15 2.37 6.02 0.99 -2.14 117.38 121.13 3di6 n GLN 507 Ca -0.02 0.47 0.04 0.00 -0.01 0.00 0.00 57.00 57.48 3di6 n GLN 507 Cb 0.85 -1.91 0.13 0.00 1.02 0.00 0.00 30.24 30.32 3di6 n GLN 507 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3di6 n ALA 508 N -1.79 2.48 -4.09 -1.58 0.00 -1.17 -4.95 120.51 109.42 3di6 n ALA 508 Ca 0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 3di6 n ALA 508 Cb 0.20 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 3di6 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3di6 n GLN 509 N 0.32 -2.72 -1.80 0.00 6.02 -0.91 -4.80 117.38 113.49 3di6 n GLN 509 Ca 0.09 0.33 -0.39 0.00 -0.01 0.00 0.00 57.00 57.02 3di6 n GLN 509 Cb 0.25 -4.42 0.03 0.00 1.02 0.00 0.00 30.24 27.13 3di6 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3di6 s PRO 510 N -6.81 3.35 -0.03 -1.09 0.04 -1.26 -4.63 135.00 124.58 3di6 s PRO 510 Ca 0.14 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.52 3di6 s PRO 510 Cb -0.08 -2.41 0.09 0.00 0.04 0.00 0.00 34.50 32.14 3di6 s PRO 510 CO 0.92 -1.04 1.05 -0.40 0.04 0.00 0.00 177.00 177.57 3di6 n ASP 511 N -0.71 2.14 -3.63 6.66 5.68 -0.36 -4.92 116.55 121.41 3di6 n ASP 511 Ca 0.08 -2.26 -0.11 0.00 -0.50 0.00 0.00 54.79 52.01 3di6 n ASP 511 Cb 0.44 -0.11 -0.07 0.00 -1.14 0.00 0.00 41.12 40.24 3di6 n ASP 511 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 3di6 s GLN 512 N -1.45 0.69 -0.01 0.11 0.74 -0.87 -4.99 119.66 113.88 3di6 s GLN 512 Ca 0.09 0.89 -0.23 0.00 0.05 0.00 0.00 55.36 56.16 3di6 s GLN 512 Cb 0.07 0.30 0.05 0.00 1.10 0.00 0.00 33.01 34.53 3di6 s GLN 512 CO 0.01 -0.09 0.51 0.45 -0.55 0.00 0.00 175.29 175.62 3di6 s SER 513 N 0.58 -0.44 0.33 6.67 0.15 -1.26 -1.48 113.70 118.25 3di6 s SER 513 Ca -0.01 0.35 0.15 0.00 0.70 0.00 0.00 55.95 57.13 3di6 s SER 513 Cb -0.05 0.45 0.57 0.00 -1.71 0.00 0.00 66.02 65.28 3di6 s SER 513 CO -0.05 -0.59 1.70 -0.33 1.20 0.00 0.00 173.24 175.17 3di6 h GLU 514 N 3.22 0.00 -6.44 5.44 5.08 -1.65 -3.45 114.58 116.78 3di6 h GLU 514 Ca -0.29 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.54 3di6 h GLU 514 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3di6 h GLU 514 CO 0.40 0.47 0.24 0.45 -1.00 0.00 0.00 179.01 179.57 3di6 s SER 515 N -6.68 7.35 0.03 1.42 0.15 -1.26 -4.98 113.70 109.73 3di6 s SER 515 Ca -0.01 1.61 -0.22 0.00 0.70 0.00 0.00 55.95 58.03 3di6 s SER 515 Cb 0.12 -2.52 -0.15 0.00 -1.71 0.00 0.00 66.02 61.76 3di6 s SER 515 CO 0.72 0.02 1.36 -0.08 1.20 0.00 0.00 173.24 176.46 3di6 h GLU 516 N 5.39 0.26 -0.46 5.44 4.57 -2.00 -2.70 114.58 125.08 3di6 h GLU 516 Ca -0.44 -0.12 0.09 0.00 -1.18 0.00 0.00 59.36 57.71 3di6 h GLU 516 Cb 1.21 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.71 3di6 h GLU 516 CO 0.70 0.63 -0.10 1.25 -1.18 0.00 0.00 179.01 180.31 3di6 h LEU 517 N -0.12 -0.41 -1.30 1.64 6.46 -1.99 -1.64 115.31 117.95 3di6 h LEU 517 Ca 0.02 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3di6 h LEU 517 Cb 0.57 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 3di6 h LEU 517 CO 0.02 -0.14 0.24 0.58 -0.62 0.00 0.00 178.44 178.52 3di6 h VAL 518 N 0.01 1.18 -0.19 1.05 2.07 -1.95 -0.75 116.25 117.67 3di6 h VAL 518 Ca 0.22 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 3di6 h VAL 518 Cb 0.34 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3di6 h VAL 518 CO -0.47 0.21 -0.38 0.78 0.02 0.00 0.00 177.57 177.73 3di6 h ASN 519 N 0.73 0.44 -0.43 0.57 2.35 -1.01 0.12 115.58 118.35 3di6 h ASN 519 Ca 0.18 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3di6 h ASN 519 Cb 0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3di6 h ASN 519 CO -0.02 0.78 -0.20 1.56 -1.65 0.00 0.00 177.43 177.90 3di6 h GLN 520 N 0.36 0.93 -0.82 0.81 4.20 -0.54 -1.12 115.11 118.94 3di6 h GLN 520 Ca 0.04 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 3di6 h GLN 520 Cb 0.82 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 3di6 h GLN 520 CO 0.07 1.04 0.39 0.82 -0.67 0.00 0.00 178.83 180.48 3di6 h ILE 521 N 0.81 1.25 -0.25 2.54 2.04 -0.83 -2.57 117.51 120.50 3di6 h ILE 521 Ca 0.11 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3di6 h ILE 521 Cb 0.76 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3di6 h ILE 521 CO 0.06 0.31 0.10 0.40 0.00 0.00 0.00 178.15 179.02 3di6 h ILE 522 N 1.16 1.17 -0.44 -0.67 2.04 -0.70 -0.60 117.51 119.47 3di6 h ILE 522 Ca 0.28 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.72 3di6 h ILE 522 Cb 0.12 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3di6 h ILE 522 CO -0.03 0.17 -0.09 -0.33 0.00 0.00 0.00 178.15 177.86 3di6 h GLU 523 N 0.26 0.02 -0.04 2.37 5.08 -1.02 -1.49 114.58 119.75 3di6 h GLU 523 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3di6 h GLU 523 Cb 0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3di6 h GLU 523 CO -0.01 0.01 0.03 1.96 -1.00 0.00 0.00 179.01 180.00 3di6 h GLN 524 N 0.02 0.06 -0.89 2.33 1.08 -1.27 -2.65 115.11 113.79 3di6 h GLN 524 Ca 0.21 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.47 3di6 h GLN 524 Cb 0.33 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.69 3di6 h GLN 524 CO -0.44 0.06 0.58 -0.07 -0.95 0.00 0.00 178.83 178.01 3di6 h LEU 525 N 0.04 0.89 -0.57 1.46 3.38 -0.57 -0.95 115.31 118.98 3di6 h LEU 525 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3di6 h LEU 525 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3di6 h LEU 525 CO -0.00 0.57 0.22 0.40 0.09 0.00 0.00 178.44 179.72 3di6 h ILE 526 N 1.01 1.23 0.00 1.22 2.04 -1.15 -2.98 117.51 118.89 3di6 h ILE 526 Ca 0.38 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3di6 h ILE 526 Cb 0.19 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3di6 h ILE 526 CO -0.14 0.28 -0.27 0.11 0.00 0.00 0.00 178.15 178.13 3di6 h LYS 527 N 0.79 0.00 -7.19 2.37 1.57 -0.86 -3.45 116.57 109.80 3di6 h LYS 527 Ca 0.19 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.45 3di6 h LYS 527 Cb 0.22 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.66 3di6 h LYS 527 CO -0.01 0.27 0.38 0.15 -0.57 0.00 0.00 179.45 179.67 3di6 s LYS 528 N -3.61 2.49 -0.09 3.15 -0.14 -0.58 -4.98 119.74 115.99 3di6 s LYS 528 Ca 0.01 1.54 -0.02 0.00 -1.36 0.00 0.00 55.97 56.14 3di6 s LYS 528 Cb 0.10 -1.90 -0.26 0.00 -1.68 0.00 0.00 37.83 34.10 3di6 s LYS 528 CO 0.66 -1.52 0.47 0.93 -0.76 0.00 0.00 175.35 175.13 3di6 h GLU 529 N -0.14 0.20 -3.02 1.68 5.08 -0.84 -3.48 114.58 114.06 3di6 h GLU 529 Ca -0.47 -0.35 -0.19 0.00 -1.00 0.00 0.00 59.36 57.35 3di6 h GLU 529 Cb 1.27 0.13 -0.29 0.00 0.50 0.00 0.00 28.75 30.35 3di6 h GLU 529 CO 0.52 1.03 -0.47 0.15 -1.00 0.00 0.00 179.01 179.24 3di6 s LYS 530 N -2.57 0.22 -0.06 2.33 1.02 -0.69 -5.01 119.74 114.98 3di6 s LYS 530 Ca -0.17 0.52 0.01 0.00 0.02 0.00 0.00 55.97 56.34 3di6 s LYS 530 Cb 0.07 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 3di6 s LYS 530 CO 0.79 -0.15 -0.05 0.08 -0.92 0.00 0.00 175.35 175.10 3di6 s VAL 531 N 1.15 0.59 -0.15 3.17 1.01 -1.26 -1.94 120.40 122.98 3di6 s VAL 531 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3di6 s VAL 531 Cb -0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3di6 s VAL 531 CO -0.08 0.25 -0.12 -0.47 0.00 0.00 0.00 175.10 174.68 3di6 s TYR 532 N 1.12 2.83 -0.07 5.22 5.04 -0.81 0.17 117.35 130.86 3di6 s TYR 532 Ca -0.08 -0.78 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 3di6 s TYR 532 Cb -0.14 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.25 3di6 s TYR 532 CO -0.01 -0.32 -0.12 -1.17 -1.34 0.00 0.00 175.55 172.59 3di6 s LEU 533 N 0.63 2.86 0.06 6.97 2.96 -1.26 -0.83 118.68 130.07 3di6 s LEU 533 Ca -0.07 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3di6 s LEU 533 Cb -0.15 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3di6 s LEU 533 CO 0.03 0.32 -0.04 0.00 -1.32 0.00 0.00 176.35 175.34 3di6 s ALA 534 N -0.59 0.57 0.01 5.97 0.00 0.00 -4.96 121.76 122.77 3di6 s ALA 534 Ca 0.09 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.95 3di6 s ALA 534 Cb -0.11 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3di6 s ALA 534 CO 0.01 -0.31 -0.20 -0.46 0.00 0.00 0.00 175.76 174.80 3di6 s TRP 535 N -3.55 1.80 0.07 0.00 -0.00 -1.26 -1.13 118.94 114.88 3di6 s TRP 535 Ca 0.05 -0.36 0.02 0.00 -0.00 0.00 0.00 56.10 55.82 3di6 s TRP 535 Cb 0.05 -1.12 -0.03 0.00 -0.00 0.00 0.00 33.47 32.37 3di6 s TRP 535 CO -0.08 0.03 -0.08 0.14 -0.00 0.00 0.00 176.95 176.96 3di6 s VAL 536 N -0.63 0.66 0.22 5.86 -7.23 -0.41 -4.93 120.40 113.93 3di6 s VAL 536 Ca 0.08 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 3di6 s VAL 536 Cb -0.08 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.61 3di6 s VAL 536 CO 0.00 -0.61 1.44 -2.16 -0.31 0.00 0.00 175.10 173.47 3di6 s PRO 537 N -2.67 4.28 0.79 4.82 0.04 -1.26 -4.13 135.00 136.87 3di6 s PRO 537 Ca 0.01 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3di6 s PRO 537 Cb -0.03 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.44 3di6 s PRO 537 CO -0.02 -0.44 1.14 0.00 0.04 0.00 0.00 177.00 177.72 3di6 s ALA 538 N 0.31 2.03 -0.84 8.56 0.00 -1.26 -3.80 121.76 126.76 3di6 s ALA 538 Ca 0.61 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3di6 s ALA 538 Cb -0.41 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3di6 s ALA 538 CO 0.39 -2.01 0.00 0.72 0.00 0.00 0.00 175.76 174.86 3di6 n HIS 539 N -3.39 -1.21 -0.80 0.00 8.25 -1.26 -4.78 115.22 112.04 3di6 n HIS 539 Ca 0.11 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.65 3di6 n HIS 539 Cb 0.52 -2.21 0.36 0.00 1.12 0.00 0.00 29.99 29.78 3di6 n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3di6 n LYS 540 N -2.31 4.11 -2.95 -0.41 4.01 -1.25 -4.95 118.16 114.40 3di6 n LYS 540 Ca -0.10 -2.98 -0.21 0.00 -0.51 0.00 0.00 58.31 54.51 3di6 n LYS 540 Cb 0.48 -2.03 0.03 0.00 -0.51 0.00 0.00 35.03 33.00 3di6 n LYS 540 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3di6 n GLY 541 N 0.59 -0.45 3.73 0.72 0.00 -1.26 -4.98 105.19 103.54 3di6 n GLY 541 Ca 0.25 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 3di6 n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3di6 s ILE 542 N -3.14 4.69 0.24 -0.61 1.01 -1.26 -4.89 121.20 117.24 3di6 s ILE 542 Ca 0.28 1.92 -0.29 0.00 0.00 0.00 0.00 60.65 62.56 3di6 s ILE 542 Cb -0.12 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.94 3di6 s ILE 542 CO 0.34 0.28 0.96 0.61 0.00 0.00 0.00 174.94 177.13 3di6 n GLY 543 N 2.52 -0.46 3.73 6.18 0.00 -1.26 -0.81 105.19 115.09 3di6 n GLY 543 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3di6 n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3di6 n GLY 544 N 1.54 1.83 0.38 -0.02 0.00 -1.26 -4.52 105.19 103.14 3di6 n GLY 544 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 3di6 n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3di6 h ASN 545 N 0.00 1.12 -0.14 1.61 -0.73 -1.83 -0.87 115.58 114.74 3di6 h ASN 545 Ca 0.00 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 3di6 h ASN 545 Cb 0.00 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.31 3di6 h ASN 545 CO 0.00 0.79 -0.01 -0.08 -0.37 0.00 0.00 177.43 177.76 3di6 h GLU 546 N 1.31 0.25 -0.83 6.67 4.81 -1.21 -1.74 114.58 123.85 3di6 h GLU 546 Ca 0.37 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 3di6 h GLU 546 Cb -0.10 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 3di6 h GLU 546 CO -0.09 0.51 0.54 1.96 -0.73 0.00 0.00 179.01 181.20 3di6 h GLN 547 N -0.03 0.84 0.19 1.92 7.50 -1.73 -2.39 115.11 121.41 3di6 h GLN 547 Ca 0.04 -0.05 -0.32 0.00 0.50 0.00 0.00 58.65 58.82 3di6 h GLN 547 Cb 0.41 -0.19 0.03 0.00 0.05 0.00 0.00 27.48 27.78 3di6 h GLN 547 CO 0.01 0.56 -1.38 0.28 -1.50 0.00 0.00 178.83 176.80 3di6 h VAL 548 N 0.86 1.29 -0.53 -0.54 2.07 -1.14 -3.27 116.25 115.00 3di6 h VAL 548 Ca 0.37 -2.62 0.06 0.00 0.82 0.00 0.00 66.70 65.33 3di6 h VAL 548 Cb 0.31 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 3di6 h VAL 548 CO -0.14 0.79 0.35 -0.78 0.02 0.00 0.00 177.57 177.81 3di6 h ASP 549 N 0.20 0.40 0.18 0.57 -0.00 -1.05 -0.74 116.42 115.98 3di6 h ASP 549 Ca -0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.80 3di6 h ASP 549 Cb 2.06 -0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 41.30 3di6 h ASP 549 CO 0.26 0.26 -0.14 0.11 -0.00 0.00 0.00 179.24 179.73 3di6 h LYS 550 N 0.46 -0.29 0.00 0.28 1.57 -1.49 0.13 116.57 117.23 3di6 h LYS 550 Ca 0.23 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3di6 h LYS 550 Cb 0.32 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3di6 h LYS 550 CO -0.06 -0.20 -0.08 1.37 -0.57 0.00 0.00 179.45 179.91 3di6 h LEU 551 N -0.30 0.00 0.22 2.94 -0.00 -1.58 -2.49 115.31 114.10 3di6 h LEU 551 Ca -0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.53 3di6 h LEU 551 Cb 0.25 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.95 3di6 h LEU 551 CO 0.00 0.08 -1.42 0.58 -0.00 0.00 0.00 178.44 177.69 3di6 h VAL 552 N 0.00 1.31 -2.37 0.15 2.07 -1.13 -3.41 116.25 112.87 3di6 h VAL 552 Ca -0.00 -2.71 -0.53 0.00 0.82 0.00 0.00 66.70 64.27 3di6 h VAL 552 Cb 0.29 2.99 -0.07 0.00 -1.52 0.00 0.00 31.29 32.98 3di6 h VAL 552 CO 0.01 0.81 1.12 -0.44 0.02 0.00 0.00 177.57 179.09 3di6 s SER 553 N -7.52 5.99 0.14 0.57 0.01 0.45 -4.62 113.70 108.73 3di6 s SER 553 Ca -0.08 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3di6 s SER 553 Cb 0.05 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3di6 s SER 553 CO 0.94 -1.92 0.00 0.00 0.41 0.00 0.00 173.24 172.67 3di6 n ALA 554 N 10.03 3.00 1.22 1.44 0.00 -1.26 -4.84 120.51 130.09 3di6 n ALA 554 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3di6 n ALA 554 Cb 0.50 0.18 0.28 0.00 0.00 0.00 0.00 19.45 20.41 3di6 n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91