#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kro s GLN 2 N 0.00 3.72 0.24 2.12 -0.21 -1.26 -4.82 119.66 119.45 3kro s GLN 2 Ca 0.00 2.23 -0.06 0.00 0.02 0.00 0.00 55.36 57.55 3kro s GLN 2 Cb 0.00 -2.61 0.31 0.00 1.00 0.00 0.00 33.01 31.70 3kro s GLN 2 CO 0.00 -0.72 1.88 -1.00 -2.12 0.00 0.00 175.29 173.33 3kro h PRO 3 N 2.31 1.07 0.26 2.91 0.13 -2.05 0.62 132.00 137.26 3kro h PRO 3 Ca -0.50 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 3kro h PRO 3 Cb 1.26 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3kro h PRO 3 CO 0.61 0.71 -0.13 -0.92 -0.23 0.00 0.00 178.00 178.04 3kro h TYR 4 N 1.10 -0.33 -0.41 1.56 3.20 -1.99 -0.98 116.97 119.13 3kro h TYR 4 Ca 0.37 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 3kro h TYR 4 Cb 0.06 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3kro h TYR 4 CO -0.02 -0.13 0.24 -1.49 -1.64 0.00 0.00 178.16 175.13 3kro h TRP 5 N -0.46 0.55 -0.67 -3.82 4.06 -1.89 -1.39 115.95 112.33 3kro h TRP 5 Ca -0.04 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.94 3kro h TRP 5 Cb 0.35 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.29 3kro h TRP 5 CO -0.03 0.40 0.44 0.00 -3.56 0.00 0.00 178.44 175.69 3kro h ALA 6 N 1.10 1.64 -0.26 1.49 0.00 -0.86 0.99 119.26 123.35 3kro h ALA 6 Ca 0.15 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3kro h ALA 6 Cb 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kro h ALA 6 CO -0.03 0.29 -0.45 0.00 0.00 0.00 0.00 179.25 179.06 3kro h ALA 7 N 1.61 0.41 -0.23 0.00 0.00 -0.78 -1.48 119.26 118.79 3kro h ALA 7 Ca 0.27 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kro h ALA 7 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kro h ALA 7 CO -0.08 0.55 0.10 0.82 0.00 0.00 0.00 179.25 180.65 3kro h ILE 8 N 0.51 1.15 -0.68 0.00 2.04 -0.54 -2.09 117.51 117.91 3kro h ILE 8 Ca 0.02 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.50 3kro h ILE 8 Cb 1.05 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 3kro h ILE 8 CO 0.10 0.15 0.36 -0.08 0.00 0.00 0.00 178.15 178.69 3kro h GLU 9 N 0.22 0.63 -0.83 2.37 4.81 -0.74 -1.74 114.58 119.31 3kro h GLU 9 Ca 0.08 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3kro h GLU 9 Cb 0.15 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3kro h GLU 9 CO -0.01 0.42 0.55 0.00 -0.73 0.00 0.00 179.01 179.24 3kro h ALA 10 N 1.37 1.51 -0.66 2.92 0.00 -0.90 0.47 119.26 123.97 3kro h ALA 10 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3kro h ALA 10 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kro h ALA 10 CO -0.21 0.40 0.13 -0.44 0.00 0.00 0.00 179.25 179.13 3kro h ASP 11 N 1.01 1.03 -0.57 0.00 3.32 -0.66 -0.80 116.42 119.75 3kro h ASP 11 Ca 0.34 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3kro h ASP 11 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3kro h ASP 11 CO -0.10 1.02 -0.05 0.40 -1.72 0.00 0.00 179.24 178.78 3kro h ILE 12 N 1.01 1.27 -0.61 0.35 2.04 -0.50 -1.31 117.51 119.75 3kro h ILE 12 Ca 0.21 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.88 3kro h ILE 12 Cb 0.40 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3kro h ILE 12 CO 0.01 0.43 0.38 -0.08 0.00 0.00 0.00 178.15 178.89 3kro h GLU 13 N 0.93 0.72 -0.05 2.37 4.81 -0.53 0.04 114.58 122.87 3kro h GLU 13 Ca 0.15 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kro h GLU 13 Cb 0.62 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3kro h GLU 13 CO 0.04 0.48 0.02 0.00 -0.73 0.00 0.00 179.01 178.81 3kro h ARG 14 N 0.74 0.07 -0.93 1.92 3.08 -0.93 0.60 114.38 118.93 3kro h ARG 14 Ca 0.25 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.38 3kro h ARG 14 Cb 0.02 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 3kro h ARG 14 CO -0.10 0.21 0.57 -0.92 -1.07 0.00 0.00 179.97 178.66 3kro h TYR 15 N -0.08 1.04 -0.39 3.04 5.03 -0.97 0.41 116.97 125.05 3kro h TYR 15 Ca 0.02 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.26 3kro h TYR 15 Cb 0.17 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 3kro h TYR 15 CO -0.02 0.44 -0.13 -0.07 -1.32 0.00 0.00 178.16 177.06 3kro h LEU 16 N 0.95 0.79 -0.90 2.82 3.38 -0.71 -1.80 115.31 119.84 3kro h LEU 16 Ca 0.45 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3kro h LEU 16 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kro h LEU 16 CO -0.24 0.99 0.21 0.11 0.09 0.00 0.00 178.44 179.60 3kro h LYS 17 N 0.58 1.02 -0.08 1.13 1.57 -0.00 -0.99 116.57 119.80 3kro h LYS 17 Ca 0.09 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3kro h LYS 17 Cb 0.67 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kro h LYS 17 CO 0.05 0.87 -0.45 -0.22 -0.57 0.00 0.00 179.45 179.13 3kro h LYS 18 N 0.99 0.19 0.00 3.15 3.64 -0.92 -3.14 116.57 120.48 3kro h LYS 18 Ca 0.22 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3kro h LYS 18 Cb 0.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3kro h LYS 18 CO -0.01 0.61 -0.57 0.77 -2.27 0.00 0.00 179.45 177.99 3kro h SER 19 N 0.16 0.00 -3.69 4.20 0.02 -0.45 -3.40 113.55 110.38 3kro h SER 19 Ca 0.01 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.29 3kro h SER 19 Cb 0.87 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.02 3kro h SER 19 CO 0.07 0.57 -0.68 -0.63 -1.14 0.00 0.00 176.83 175.01 3kro s ILE 20 N -3.16 2.48 -0.22 3.27 1.01 -0.46 -5.08 121.20 119.03 3kro s ILE 20 Ca 0.02 -2.35 -0.06 0.00 0.00 0.00 0.00 60.65 58.26 3kro s ILE 20 Cb 0.09 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3kro s ILE 20 CO 0.74 -0.63 0.02 0.42 0.00 0.00 0.00 174.94 175.49 3kro s THR 21 N 0.88 3.96 0.09 2.92 -4.23 -1.26 -4.78 115.64 113.22 3kro s THR 21 Ca 0.11 -0.30 -0.35 0.00 -1.18 0.00 0.00 61.69 59.97 3kro s THR 21 Cb -0.20 -2.82 -0.14 0.00 1.34 0.00 0.00 72.50 70.68 3kro s THR 21 CO -0.07 0.39 1.57 -0.38 -0.54 0.00 0.00 174.62 175.59 3kro n ILE 22 N 4.65 0.09 -3.84 2.99 5.41 -1.26 -4.94 119.36 122.46 3kro n ILE 22 Ca -0.17 -0.02 -0.09 0.00 1.00 0.00 0.00 62.75 63.47 3kro n ILE 22 Cb 0.51 -1.41 0.01 0.00 -0.71 0.00 0.00 39.64 38.05 3kro n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kro s ARG 23 N 1.34 2.15 0.38 0.38 1.70 -1.26 -5.08 118.95 118.56 3kro s ARG 23 Ca 0.83 -1.42 -0.25 0.00 -0.47 0.00 0.00 55.73 54.42 3kro s ARG 23 Cb -0.76 0.61 -0.09 0.00 -0.57 0.00 0.00 34.95 34.14 3kro s ARG 23 CO 0.43 -1.00 1.02 -2.14 -1.08 0.00 0.00 175.30 172.53 3kro s PRO 24 N -2.56 4.29 -0.14 3.89 0.02 -1.26 -1.90 135.00 137.34 3kro s PRO 24 Ca 0.16 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 3kro s PRO 24 Cb -0.05 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.85 3kro s PRO 24 CO 0.12 -0.02 1.13 -1.25 -0.33 0.00 0.00 177.00 176.65 3kro s PRO 25 N -2.38 4.32 0.51 5.54 0.04 -1.26 -4.98 135.00 136.78 3kro s PRO 25 Ca 0.56 1.52 0.15 0.00 0.04 0.00 0.00 61.00 63.27 3kro s PRO 25 Cb -0.21 -3.62 1.23 0.00 0.04 0.00 0.00 34.50 31.94 3kro s PRO 25 CO 0.26 -0.52 2.13 1.49 0.04 0.00 0.00 177.00 180.40 3kro h GLU 26 N 7.54 0.02 -0.00 4.56 4.81 -1.79 0.23 114.58 129.95 3kro h GLU 26 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3kro h GLU 26 Cb 1.12 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3kro h GLU 26 CO 0.92 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 179.23 3kro h THR 27 N 0.02 0.12 0.00 0.32 1.03 -1.98 0.43 112.91 112.85 3kro h THR 27 Ca 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.23 3kro h THR 27 Cb 0.02 1.00 -0.03 0.00 -1.07 0.00 0.00 68.15 68.07 3kro h THR 27 CO 0.00 0.00 -1.49 0.52 -0.01 0.00 0.00 175.52 174.54 3kro n VAL 28 N -3.25 1.50 0.39 0.00 0.31 0.72 -4.54 118.33 113.46 3kro n VAL 28 Ca -0.03 -0.05 0.14 0.00 -0.01 0.00 0.00 64.34 64.39 3kro n VAL 28 Cb 0.07 -2.17 0.51 0.00 -0.91 0.00 0.00 33.84 31.35 3kro n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kro h PHE 29 N -1.00 0.00 0.45 3.52 -1.00 -1.24 -2.80 116.94 114.88 3kro h PHE 29 Ca -0.27 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.49 3kro h PHE 29 Cb 1.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.74 3kro h PHE 29 CO -0.24 0.00 -0.22 0.78 -1.61 0.00 0.00 178.31 177.02 3kro h GLY 30 N 2.67 -0.63 1.53 -1.45 0.00 -1.15 -2.06 103.07 101.97 3kro h GLY 30 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 3kro h GLY 30 CO 0.00 -0.23 -0.03 -2.55 0.00 0.00 0.00 176.54 173.73 3kro h PRO 31 N -1.00 0.59 -0.42 4.80 0.11 -1.76 -0.86 132.00 133.46 3kro h PRO 31 Ca -0.06 -0.14 0.06 0.00 0.11 0.00 0.00 66.00 65.97 3kro h PRO 31 Cb 0.57 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 3kro h PRO 31 CO 0.10 0.63 0.10 1.98 -0.21 0.00 0.00 178.00 180.60 3kro h MET 32 N 0.55 0.23 0.04 1.05 4.05 -1.45 0.94 114.93 120.34 3kro h MET 32 Ca 0.11 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3kro h MET 32 Cb 0.39 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3kro h MET 32 CO 0.02 0.15 -0.02 1.25 0.23 0.00 0.00 176.91 178.54 3kro h HIS 33 N 0.24 -0.05 0.02 1.39 6.17 -1.19 -2.58 115.15 119.15 3kro h HIS 33 Ca 0.20 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.28 3kro h HIS 33 Cb 0.24 0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.18 3kro h HIS 33 CO -0.19 0.23 -0.01 1.25 0.71 0.00 0.00 177.93 179.92 3kro h HIS 34 N -0.34 -0.03 0.00 5.26 6.17 -0.97 -2.88 115.15 122.36 3kro h HIS 34 Ca -0.01 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.03 3kro h HIS 34 Cb 0.31 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 3kro h HIS 34 CO 0.02 0.12 -0.20 -0.07 0.71 0.00 0.00 177.93 178.51 3kro h LEU 35 N -0.17 0.00 -0.48 0.26 3.38 -0.91 0.65 115.31 118.04 3kro h LEU 35 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kro h LEU 35 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kro h LEU 35 CO 0.01 0.20 0.24 0.74 0.09 0.00 0.00 178.44 179.72 3kro h THR 36 N 0.00 1.18 -0.00 0.22 2.02 -1.26 -2.74 112.91 112.33 3kro h THR 36 Ca -0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kro h THR 36 Cb 0.48 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3kro h THR 36 CO 0.03 0.20 -0.33 0.49 0.37 0.00 0.00 175.52 176.27 3kro n PHE 37 N -4.64 0.00 0.18 3.16 3.01 -0.94 -3.52 117.46 114.72 3kro n PHE 37 Ca 0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.54 3kro n PHE 37 Cb 0.10 -0.24 0.12 0.00 -0.01 0.00 0.00 39.48 39.45 3kro n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kro h ALA 38 N 3.23 0.83 -2.25 4.37 0.00 -0.58 -3.45 119.26 121.41 3kro h ALA 38 Ca 0.00 -0.26 -0.48 0.00 0.00 0.00 0.00 54.91 54.17 3kro h ALA 38 Cb 0.48 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kro h ALA 38 CO 0.00 0.35 0.38 0.00 0.00 0.00 0.00 179.25 179.98 3kro s ALA 39 N -3.11 2.98 0.83 0.00 0.00 -1.12 -5.00 121.76 116.34 3kro s ALA 39 Ca 0.05 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 3kro s ALA 39 Cb 0.07 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 20.12 3kro s ALA 39 CO 0.71 -0.42 1.11 -2.30 0.00 0.00 0.00 175.76 174.85 3kro n PRO 40 N -1.79 0.08 -2.68 0.00 -0.02 -1.26 -4.97 135.00 124.35 3kro n PRO 40 Ca 0.07 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.30 3kro n PRO 40 Cb 0.54 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3kro n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kro s ALA 41 N -2.19 3.09 -0.05 3.55 0.00 -1.26 -4.94 121.76 119.96 3kro s ALA 41 Ca 0.71 0.56 0.05 0.00 0.00 0.00 0.00 51.96 53.29 3kro s ALA 41 Cb -0.28 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3kro s ALA 41 CO 0.53 -0.02 -0.21 -0.08 0.00 0.00 0.00 175.76 175.97 3kro s THR 42 N -1.81 1.76 0.13 0.00 -1.32 -1.26 -5.00 115.64 108.14 3kro s THR 42 Ca 0.58 -0.91 0.34 0.00 -1.21 0.00 0.00 61.69 60.49 3kro s THR 42 Cb -0.17 -1.49 0.38 0.00 -1.51 0.00 0.00 72.50 69.71 3kro s THR 42 CO 0.22 0.50 2.02 0.00 -2.21 0.00 0.00 174.62 175.14 3kro h ALA 43 N 6.07 1.00 -0.26 11.08 0.00 -2.00 -2.45 119.26 132.70 3kro h ALA 43 Ca -0.33 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3kro h ALA 43 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kro h ALA 43 CO 0.47 0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.93 3kro h ALA 44 N 2.03 2.15 0.00 0.00 0.00 -1.88 0.20 119.26 121.75 3kro h ALA 44 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kro h ALA 44 Cb 0.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kro h ALA 44 CO 0.00 -0.34 -0.15 1.03 0.00 0.00 0.00 179.25 179.79 3kro h SER 45 N 0.00 0.00 0.40 0.00 0.87 -1.73 -3.21 113.55 109.87 3kro h SER 45 Ca 0.12 -0.82 -0.08 0.00 -1.23 0.00 0.00 61.79 59.78 3kro h SER 45 Cb 0.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3kro h SER 45 CO -0.00 1.00 -0.39 0.71 -0.53 0.00 0.00 176.83 177.62 3kro h THR 46 N -1.00 1.27 0.00 2.23 1.35 -1.54 -2.04 112.91 113.19 3kro h THR 46 Ca -0.04 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 3kro h THR 46 Cb 0.92 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3kro h THR 46 CO -0.02 0.38 -0.04 0.25 -0.25 0.00 0.00 175.52 175.83 3kro h LEU 47 N 0.00 0.00 -0.10 3.87 5.85 -0.72 -0.81 115.31 123.40 3kro h LEU 47 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3kro h LEU 47 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3kro h LEU 47 CO 0.05 0.04 -0.18 0.00 -0.34 0.00 0.00 178.44 178.02 3kro h LEU 49 N -0.15 0.24 -0.19 0.00 3.38 -1.44 -2.30 115.31 114.86 3kro h LEU 49 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kro h LEU 49 Cb 0.76 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kro h LEU 49 CO 0.04 0.39 0.12 0.00 0.09 0.00 0.00 178.44 179.08 3kro h ALA 50 N 0.86 0.24 -0.92 1.53 0.00 -1.20 -2.32 119.26 117.45 3kro h ALA 50 Ca 0.05 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kro h ALA 50 Cb 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3kro h ALA 50 CO -0.00 -0.28 0.59 0.00 0.00 0.00 0.00 179.25 179.56 3kro h ALA 51 N 1.07 1.59 -0.26 0.00 0.00 -0.64 -0.38 119.26 120.64 3kro h ALA 51 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kro h ALA 51 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kro h ALA 51 CO -0.02 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.56 3kro h GLU 53 N 0.27 -0.23 -1.01 0.00 5.08 -0.80 -2.71 114.58 115.18 3kro h GLU 53 Ca 0.09 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.73 3kro h GLU 53 Cb 0.20 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.38 3kro h GLU 53 CO -0.01 -0.15 0.60 1.25 -1.00 0.00 0.00 179.01 179.70 3kro h LEU 54 N -0.24 0.62 -0.82 1.33 5.85 -1.04 0.69 115.31 121.70 3kro h LEU 54 Ca -0.02 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kro h LEU 54 Cb 0.19 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kro h LEU 54 CO 0.04 0.04 -0.07 1.33 -0.34 0.00 0.00 178.44 179.44 3kro n VAL 55 N -4.91 0.00 0.00 1.05 0.24 -1.11 -4.98 118.33 108.62 3kro n VAL 55 Ca 0.28 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3kro n VAL 55 Cb 0.82 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 3kro n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kro n GLY 56 N 1.22 3.59 3.25 7.63 0.00 0.23 -4.77 105.19 116.35 3kro n GLY 56 Ca 0.17 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 3kro n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 57 N 0.00 -3.31 3.89 -0.02 0.00 -1.04 -4.88 105.19 99.83 3kro n GLY 57 Ca 0.00 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 3kro n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kro s ASP 58 N -2.75 6.31 0.29 1.61 1.47 -1.26 -4.00 116.67 118.35 3kro s ASP 58 Ca 0.64 0.36 0.03 0.00 1.18 0.00 0.00 52.55 54.76 3kro s ASP 58 Cb -0.15 -1.99 0.64 0.00 -0.34 0.00 0.00 42.92 41.09 3kro s ASP 58 CO 0.57 0.30 1.81 0.08 0.68 0.00 0.00 175.17 178.61 3kro h ARG 59 N 4.13 0.87 -0.01 2.11 0.11 -1.92 0.17 114.38 119.84 3kro h ARG 59 Ca -0.50 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.53 3kro h ARG 59 Cb 1.20 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.08 3kro h ARG 59 CO 0.66 0.57 0.20 0.66 0.10 0.00 0.00 179.97 182.17 3kro h SER 60 N 0.89 0.00 1.28 0.08 4.64 -1.95 0.32 113.55 118.82 3kro h SER 60 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3kro h SER 60 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3kro h SER 60 CO -0.32 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.20 3kro h GLN 61 N 0.00 0.00 -0.10 4.77 4.20 -1.34 -3.20 115.11 119.45 3kro h GLN 61 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kro h GLN 61 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3kro h GLN 61 CO -0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 3kro n ALA 62 N -1.96 2.14 -0.04 3.87 0.00 0.11 -4.75 120.51 119.88 3kro n ALA 62 Ca 0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 3kro n ALA 62 Cb 0.37 -0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 3kro n ALA 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kro h MET 63 N 0.70 0.22 -0.86 0.00 -1.53 -1.44 -0.64 114.93 111.38 3kro h MET 63 Ca 0.00 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.23 3kro h MET 63 Cb 0.50 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.48 3kro h MET 63 CO 0.00 0.42 0.57 0.00 0.14 0.00 0.00 176.91 178.03 3kro h ALA 64 N 0.80 1.46 -0.45 0.39 0.00 -1.85 -0.72 119.26 118.88 3kro h ALA 64 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kro h ALA 64 Cb 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kro h ALA 64 CO 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 3kro h ALA 65 N 1.49 0.60 -0.76 0.00 0.00 -1.86 -0.05 119.26 118.69 3kro h ALA 65 Ca 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kro h ALA 65 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kro h ALA 65 CO -0.10 0.40 0.32 0.00 0.00 0.00 0.00 179.25 179.87 3kro h ALA 66 N 0.91 1.13 -0.20 0.00 0.00 0.27 0.39 119.26 121.76 3kro h ALA 66 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3kro h ALA 66 Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kro h ALA 66 CO 0.02 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.88 3kro h ALA 67 N 1.25 0.27 -0.83 0.00 0.00 -1.00 -2.17 119.26 116.78 3kro h ALA 67 Ca 0.26 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kro h ALA 67 Cb 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3kro h ALA 67 CO -0.02 0.02 0.53 0.00 0.00 0.00 0.00 179.25 179.78 3kro h ALA 68 N 0.75 1.10 -0.69 0.00 0.00 -0.57 -0.92 119.26 118.94 3kro h ALA 68 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kro h ALA 68 Cb 0.46 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kro h ALA 68 CO 0.02 0.34 0.45 0.82 0.00 0.00 0.00 179.25 180.87 3kro h ILE 69 N 1.01 1.16 -0.46 0.00 2.04 -0.76 -1.35 117.51 119.16 3kro h ILE 69 Ca 0.34 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 3kro h ILE 69 Cb 0.04 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3kro h ILE 69 CO -0.13 0.17 0.09 -0.74 0.00 0.00 0.00 178.15 177.55 3kro h HIS 70 N 0.92 0.79 -0.22 1.37 2.76 -0.74 -2.01 115.15 118.02 3kro h HIS 70 Ca 0.25 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3kro h HIS 70 Cb -0.09 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 3kro h HIS 70 CO -0.03 0.73 0.14 -0.07 -1.30 0.00 0.00 177.93 177.40 3kro h LEU 71 N 0.62 0.24 -0.78 0.26 3.38 -0.98 0.24 115.31 118.29 3kro h LEU 71 Ca 0.14 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3kro h LEU 71 Cb 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3kro h LEU 71 CO 0.00 0.17 0.51 0.58 0.09 0.00 0.00 178.44 179.80 3kro h VAL 72 N 0.29 1.16 -0.64 1.22 2.07 -1.21 0.08 116.25 119.22 3kro h VAL 72 Ca 0.08 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3kro h VAL 72 Cb -0.03 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 3kro h VAL 72 CO -0.02 0.19 0.09 -0.74 0.02 0.00 0.00 177.57 177.11 3kro h HIS 73 N 1.02 1.13 -0.42 1.57 -0.00 -0.97 -2.69 115.15 114.79 3kro h HIS 73 Ca 0.30 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 3kro h HIS 73 Cb -0.06 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.02 3kro h HIS 73 CO -0.02 0.96 0.09 0.00 -0.00 0.00 0.00 177.93 178.96 3kro h ALA 74 N 1.03 0.56 -0.89 5.26 0.00 0.48 -1.26 119.26 124.44 3kro h ALA 74 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kro h ALA 74 Cb 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kro h ALA 74 CO 0.01 0.25 0.57 0.00 0.00 0.00 0.00 179.25 180.08 3kro h ALA 75 N 0.95 1.13 -0.82 0.00 0.00 -1.00 -2.05 119.26 117.46 3kro h ALA 75 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kro h ALA 75 Cb 0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kro h ALA 75 CO 0.00 0.55 0.36 0.00 0.00 0.00 0.00 179.25 180.17 3kro h ALA 76 N 1.31 1.09 -0.31 0.00 0.00 -1.12 -1.28 119.26 118.95 3kro h ALA 76 Ca 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kro h ALA 76 Cb -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3kro h ALA 76 CO -0.07 0.66 0.03 -0.92 0.00 0.00 0.00 179.25 178.96 3kro h TYR 77 N 1.18 0.57 -0.22 0.00 3.20 -0.97 0.39 116.97 121.12 3kro h TYR 77 Ca 0.28 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3kro h TYR 77 Cb 0.16 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3kro h TYR 77 CO 0.02 0.63 0.14 0.28 -1.64 0.00 0.00 178.16 177.59 3kro h VAL 78 N 0.34 1.06 -0.29 1.81 2.07 -1.24 -2.63 116.25 117.38 3kro h VAL 78 Ca 0.09 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 3kro h VAL 78 Cb 0.38 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kro h VAL 78 CO 0.01 0.06 -0.37 0.45 0.02 0.00 0.00 177.57 177.74 3kro h HIS 79 N 0.30 0.77 0.00 1.57 3.86 -1.18 -2.71 115.15 117.76 3kro h HIS 79 Ca 0.08 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3kro h HIS 79 Cb -0.03 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.27 3kro h HIS 79 CO -0.06 0.92 0.00 1.05 0.86 0.00 0.00 177.93 180.70 3kro h GLU 80 N 0.54 0.00 -0.48 2.45 4.11 -0.64 -2.87 114.58 117.69 3kro h GLU 80 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3kro h GLU 80 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kro h GLU 80 CO 0.08 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.88 3kro n HIS 81 N -2.82 0.63 -1.70 2.06 8.25 -1.02 -4.99 115.22 115.63 3kro n HIS 81 Ca 0.01 -0.37 -0.43 0.00 -0.26 0.00 0.00 57.72 56.66 3kro n HIS 81 Cb 0.26 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3kro n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kro n LEU 82 N 1.31 3.71 -4.59 2.41 4.77 -1.04 -4.91 117.00 118.66 3kro n LEU 82 Ca 0.19 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.83 3kro n LEU 82 Cb 0.56 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 3kro n LEU 82 CO 0.14 -0.01 1.58 -2.84 -1.33 0.00 0.00 177.39 174.93 3kro s PRO 83 N 0.74 3.20 -0.23 3.23 0.02 -1.26 -4.98 135.00 135.73 3kro s PRO 83 Ca 0.74 1.37 -0.09 0.00 0.02 0.00 0.00 61.00 63.04 3kro s PRO 83 Cb -0.57 -4.24 -0.04 0.00 0.02 0.00 0.00 34.50 29.67 3kro s PRO 83 CO 0.37 -2.02 0.12 -0.51 -0.33 0.00 0.00 177.00 174.63 3kro s LEU 84 N 7.41 3.94 0.02 -5.54 1.43 -1.26 -4.97 118.68 119.71 3kro s LEU 84 Ca 0.80 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 3kro s LEU 84 Cb -0.22 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3kro s LEU 84 CO 0.32 0.08 1.12 0.71 0.23 0.00 0.00 176.35 178.81 3kro h THR 85 N 5.05 0.00 0.00 5.49 1.35 -2.02 -3.03 112.91 119.75 3kro h THR 85 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3kro h THR 85 Cb 1.17 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3kro h THR 85 CO 0.66 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 3kro n ASP 86 N -2.85 0.00 -3.70 5.36 5.75 -1.26 -4.73 116.55 115.12 3kro n ASP 86 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.50 3kro n ASP 86 Cb 0.10 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.25 3kro n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kro n GLY 87 N -0.73 -0.49 0.14 6.12 0.00 -1.15 -4.90 105.19 104.19 3kro n GLY 87 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 3kro n GLY 87 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kro h SER 88 N -2.34 0.15 -3.32 1.61 0.87 -1.85 -3.43 113.55 105.24 3kro h SER 88 Ca -0.58 -0.10 -0.63 0.00 -1.23 0.00 0.00 61.79 59.25 3kro h SER 88 Cb 1.37 -0.04 -0.20 0.00 -0.44 0.00 0.00 62.40 63.09 3kro h SER 88 CO 0.59 0.79 -0.63 0.00 -0.53 0.00 0.00 176.83 177.05 3kro s ARG 89 N -3.54 3.78 -0.21 2.24 1.70 -1.26 -5.03 118.95 116.62 3kro s ARG 89 Ca -0.02 -0.45 -0.36 0.00 -0.47 0.00 0.00 55.73 54.42 3kro s ARG 89 Cb 0.12 -3.05 -0.13 0.00 -0.57 0.00 0.00 34.95 31.32 3kro s ARG 89 CO 0.79 0.22 1.91 -0.35 -1.08 0.00 0.00 175.30 176.80 3kro n PRO 90 N 3.62 1.60 -1.48 3.89 -0.04 -1.26 -4.66 135.00 136.67 3kro n PRO 90 Ca -0.17 0.56 -0.16 0.00 -0.04 0.00 0.00 63.50 63.69 3kro n PRO 90 Cb 0.52 -2.44 -0.14 0.00 -0.04 0.00 0.00 33.50 31.40 3kro n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3kro n VAL 91 N 5.46 0.00 -2.18 0.52 0.24 -1.26 -4.85 118.33 116.25 3kro n VAL 91 Ca 0.28 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 3kro n VAL 91 Cb 0.23 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.73 3kro n VAL 91 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kro s SER 92 N 4.41 6.86 0.34 -1.34 1.04 -1.26 -4.89 113.70 118.86 3kro s SER 92 Ca 1.02 2.53 0.14 0.00 0.48 0.00 0.00 55.95 60.11 3kro s SER 92 Cb -0.46 -2.63 1.05 0.00 0.10 0.00 0.00 66.02 64.08 3kro s SER 92 CO 0.32 -0.50 1.68 0.11 0.98 0.00 0.00 173.24 175.82 3kro h LYS 93 N 4.40 0.38 0.00 4.02 1.57 -2.03 -3.23 116.57 121.67 3kro h LYS 93 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3kro h LYS 93 Cb 1.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3kro h LYS 93 CO 0.72 0.25 0.00 -2.30 -0.57 0.00 0.00 179.45 177.54 3kro n PRO 94 N -4.98 0.00 -4.18 3.15 -0.02 -1.26 -4.76 135.00 122.95 3kro n PRO 94 Ca 0.30 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 3kro n PRO 94 Cb 0.93 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.35 3kro n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kro n ALA 95 N -3.00 -1.90 -0.56 3.55 0.00 -1.22 -4.89 120.51 112.49 3kro n ALA 95 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 3kro n ALA 95 Cb 0.00 -1.40 0.22 0.00 0.00 0.00 0.00 19.45 18.27 3kro n ALA 95 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3kro n ILE 96 N -4.46 0.00 -2.65 0.00 -5.35 -1.26 -4.97 119.36 100.66 3kro n ILE 96 Ca -0.26 -0.26 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 3kro n ILE 96 Cb 0.66 -0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 37.52 3kro n ILE 96 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3kro s GLN 97 N -4.49 4.23 -0.18 6.28 0.74 -1.26 -5.07 119.66 119.91 3kro s GLN 97 Ca 0.68 1.38 -0.00 0.00 0.05 0.00 0.00 55.36 57.46 3kro s GLN 97 Cb -0.24 -2.47 0.04 0.00 1.10 0.00 0.00 33.01 31.44 3kro s GLN 97 CO 0.62 -0.06 -0.07 -1.01 -0.55 0.00 0.00 175.29 174.22 3kro s HIS 98 N -1.79 1.97 0.17 1.67 3.76 -1.26 -5.00 115.29 114.81 3kro s HIS 98 Ca 0.58 -1.29 0.10 0.00 -0.15 0.00 0.00 55.06 54.30 3kro s HIS 98 Cb -0.18 -1.44 0.12 0.00 1.11 0.00 0.00 32.58 32.19 3kro s HIS 98 CO 0.23 -0.67 1.47 -0.22 -0.85 0.00 0.00 174.74 174.70 3kro h LYS 99 N 8.06 0.00 -6.17 1.40 3.64 -2.03 -3.46 116.57 118.02 3kro h LYS 99 Ca -0.25 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.52 3kro h LYS 99 Cb 1.11 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.79 3kro h LYS 99 CO 0.43 0.76 -0.73 0.71 -2.27 0.00 0.00 179.45 178.34 3kro s TYR 100 N -3.18 2.36 0.90 1.91 2.02 -1.26 -5.14 117.35 114.95 3kro s TYR 100 Ca 0.00 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 3kro s TYR 100 Cb 0.11 -1.08 0.13 0.00 -0.40 0.00 0.00 41.96 40.72 3kro s TYR 100 CO 0.78 0.68 1.11 0.20 -1.57 0.00 0.00 175.55 176.75 3kro s GLY 101 N -3.55 1.60 0.32 0.71 0.00 -1.26 -4.81 107.32 100.33 3kro s GLY 101 Ca 0.31 -0.30 0.07 0.00 0.00 0.00 0.00 44.72 44.80 3kro s GLY 101 CO 0.16 0.21 1.81 -2.55 0.00 0.00 0.00 173.10 172.73 3kro h PRO 102 N -1.48 0.72 -0.32 2.90 0.11 -1.99 -2.21 132.00 129.72 3kro h PRO 102 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 3kro h PRO 102 Cb 1.30 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3kro h PRO 102 CO 0.59 0.48 -0.05 -2.95 -0.21 0.00 0.00 178.00 175.86 3kro h ASN 103 N 0.74 0.59 -0.07 -2.05 7.08 -1.98 -0.77 115.58 119.11 3kro h ASN 103 Ca 0.53 -0.34 -0.08 0.00 -3.08 0.00 0.00 56.30 53.33 3kro h ASN 103 Cb 0.86 -0.16 -0.01 0.00 -2.08 0.00 0.00 38.32 36.92 3kro h ASN 103 CO -0.31 0.79 -0.18 0.58 -2.08 0.00 0.00 177.43 176.24 3kro h VAL 104 N 0.38 1.24 -0.07 6.14 2.07 -1.83 -1.78 116.25 122.39 3kro h VAL 104 Ca 0.08 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3kro h VAL 104 Cb 0.52 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3kro h VAL 104 CO 0.03 0.35 -0.05 -0.33 0.02 0.00 0.00 177.57 177.59 3kro h GLU 105 N 0.41 0.16 0.06 1.57 5.08 -1.30 -0.42 114.58 120.13 3kro h GLU 105 Ca 0.07 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3kro h GLU 105 Cb 0.55 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3kro h GLU 105 CO 0.04 0.55 -0.27 1.25 -1.00 0.00 0.00 179.01 179.58 3kro h LEU 106 N -0.24 -0.78 -0.41 1.33 5.85 -1.01 -1.12 115.31 118.92 3kro h LEU 106 Ca 0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kro h LEU 106 Cb 0.51 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3kro h LEU 106 CO 0.01 -0.35 0.10 -0.07 -0.34 0.00 0.00 178.44 177.79 3kro h LEU 107 N -0.44 0.63 -1.22 2.25 3.38 -1.38 -2.48 115.31 116.04 3kro h LEU 107 Ca 0.05 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3kro h LEU 107 Cb 0.50 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3kro h LEU 107 CO -0.19 0.70 0.53 0.74 0.09 0.00 0.00 178.44 180.31 3kro h THR 108 N 0.53 1.17 -0.44 0.22 2.02 -0.91 0.69 112.91 116.18 3kro h THR 108 Ca 0.13 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3kro h THR 108 Cb 0.32 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 3kro h THR 108 CO 0.00 0.19 0.28 1.23 0.37 0.00 0.00 175.52 177.59 3kro h GLY 109 N 1.04 0.62 2.00 2.16 0.00 -0.92 0.76 103.07 108.74 3kro h GLY 109 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3kro h GLY 109 CO -0.08 0.20 -0.04 -0.55 0.00 0.00 0.00 176.54 176.07 3kro h ASP 110 N 0.57 0.00 0.73 0.19 3.32 -0.72 -2.44 116.42 118.06 3kro h ASP 110 Ca 0.17 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 3kro h ASP 110 Cb -0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3kro h ASP 110 CO -0.06 0.04 -1.38 1.23 -1.72 0.00 0.00 179.24 177.35 3kro h GLY 111 N 0.99 0.00 0.80 2.75 0.00 0.38 -3.39 103.07 104.61 3kro h GLY 111 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3kro h GLY 111 CO 0.01 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 173.99 3kro h ILE 112 N 0.00 1.37 -0.18 2.60 1.08 -0.42 -3.04 117.51 118.92 3kro h ILE 112 Ca -0.16 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 62.72 3kro h ILE 112 Cb 1.60 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 37.38 3kro h ILE 112 CO 0.05 0.48 -0.04 0.58 -0.69 0.00 0.00 178.15 178.53 3kro h VAL 113 N 0.05 0.83 0.00 1.67 2.07 -1.72 -2.04 116.25 117.12 3kro h VAL 113 Ca -0.00 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3kro h VAL 113 Cb 0.94 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3kro h VAL 113 CO 0.07 0.00 -0.15 1.55 0.02 0.00 0.00 177.57 179.06 3kro h PRO 114 N 0.01 0.00 -0.57 1.57 0.13 -1.74 -2.06 132.00 129.33 3kro h PRO 114 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 3kro h PRO 114 Cb 0.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 3kro h PRO 114 CO -0.18 0.15 0.22 0.35 -0.23 0.00 0.00 178.00 178.31 3kro h PHE 115 N 0.00 0.84 -0.87 1.56 -0.00 -1.26 0.15 116.94 117.35 3kro h PHE 115 Ca -0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 57.97 57.96 3kro h PHE 115 Cb 0.54 -0.26 -0.05 0.00 -0.00 0.00 0.00 35.95 36.18 3kro h PHE 115 CO 0.00 0.65 0.56 0.78 -0.00 0.00 0.00 178.31 180.31 3kro h GLY 116 N 0.95 1.28 1.95 2.40 0.00 -0.97 -1.48 103.07 107.20 3kro h GLY 116 Ca 0.19 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3kro h GLY 116 CO -0.02 0.35 -0.60 0.74 0.00 0.00 0.00 176.54 177.02 3kro h PHE 117 N 1.08 0.06 -0.21 5.60 0.04 -1.28 -2.85 116.94 119.39 3kro h PHE 117 Ca 0.35 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.08 3kro h PHE 117 Cb 0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3kro h PHE 117 CO -0.02 0.63 0.06 1.49 -0.60 0.00 0.00 178.31 179.88 3kro h GLU 118 N 0.03 0.33 -0.21 1.51 4.81 -0.04 -0.35 114.58 120.66 3kro h GLU 118 Ca -0.01 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3kro h GLU 118 Cb 1.07 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 3kro h GLU 118 CO 0.08 0.43 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.70 3kro h LEU 119 N 0.17 -0.15 -0.09 1.64 3.38 -1.28 -0.56 115.31 118.42 3kro h LEU 119 Ca 0.07 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kro h LEU 119 Cb 0.24 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3kro h LEU 119 CO -0.00 -0.05 -0.12 -0.07 0.09 0.00 0.00 178.44 178.29 3kro h LEU 120 N 0.03 -0.37 -1.83 1.67 3.38 -1.39 0.26 115.31 117.06 3kro h LEU 120 Ca 0.10 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3kro h LEU 120 Cb 0.14 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kro h LEU 120 CO -0.19 -0.16 -0.13 0.00 0.09 0.00 0.00 178.44 178.04 3kro h ALA 121 N 0.89 1.25 0.00 1.53 0.00 -0.83 -3.05 119.26 119.05 3kro h ALA 121 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kro h ALA 121 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kro h ALA 121 CO -0.19 0.16 -1.16 0.41 0.00 0.00 0.00 179.25 178.47 3kro n GLY 122 N -0.60 -1.36 0.00 0.00 0.00 -0.24 -3.84 105.19 99.16 3kro n GLY 122 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3kro n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kro n SER 123 N -2.51 0.00 -4.55 1.61 3.41 0.82 -4.68 113.62 107.72 3kro n SER 123 Ca -0.00 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.12 3kro n SER 123 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3kro n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kro s VAL 124 N -2.00 3.33 -0.12 -3.33 1.01 -1.25 -4.96 120.40 113.09 3kro s VAL 124 Ca 0.12 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 3kro s VAL 124 Cb 0.05 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3kro s VAL 124 CO 0.09 -0.79 0.68 -0.62 0.00 0.00 0.00 175.10 174.46 3kro s ASP 125 N 8.61 6.88 0.18 3.32 2.15 -1.26 -4.97 116.67 131.58 3kro s ASP 125 Ca 0.72 1.07 -0.15 0.00 0.43 0.00 0.00 52.55 54.62 3kro s ASP 125 Cb -0.11 -2.39 0.15 0.00 -0.30 0.00 0.00 42.92 40.27 3kro s ASP 125 CO 0.13 -0.18 1.68 -0.65 -0.17 0.00 0.00 175.17 175.99 3kro h PRO 126 N 7.00 0.09 -1.88 4.34 0.11 -1.99 -1.41 132.00 138.27 3kro h PRO 126 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kro h PRO 126 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kro h PRO 126 CO 0.77 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 3kro n ALA 127 N -2.64 2.13 -3.70 -0.75 0.00 -1.26 -4.49 120.51 109.80 3kro n ALA 127 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 3kro n ALA 127 Cb 0.24 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 3kro n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kro s ARG 128 N 1.10 0.03 0.00 0.00 1.81 -0.53 -5.10 118.95 116.27 3kro s ARG 128 Ca 0.00 0.45 0.00 0.00 -1.72 0.00 0.00 55.73 54.46 3kro s ARG 128 Cb 0.00 -0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.23 3kro s ARG 128 CO 0.00 -0.25 0.00 2.41 -0.68 0.00 0.00 175.30 176.78 3kro n THR 129 N 4.88 0.00 0.62 0.02 -1.04 -1.26 -4.17 114.28 113.32 3kro n THR 129 Ca -0.13 0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 3kro n THR 129 Cb 0.50 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3kro n THR 129 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kro n ASP 130 N -1.65 0.08 0.05 8.00 8.00 -1.26 -4.13 116.55 125.65 3kro n ASP 130 Ca 0.00 -0.70 -0.07 0.00 0.71 0.00 0.00 54.79 54.72 3kro n ASP 130 Cb 0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 3kro n ASP 130 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3kro h ASP 131 N 0.15 -0.69 -0.98 -2.24 3.58 -1.93 -3.06 116.42 111.25 3kro h ASP 131 Ca 0.00 0.07 0.20 0.00 0.42 0.00 0.00 57.03 57.72 3kro h ASP 131 Cb 0.04 0.25 -0.09 0.00 1.72 0.00 0.00 39.33 41.25 3kro h ASP 131 CO 0.00 -0.24 0.61 1.55 -2.88 0.00 0.00 179.24 178.28 3kro h PRO 132 N -0.33 0.64 -0.02 0.28 0.13 -1.88 -1.79 132.00 129.03 3kro h PRO 132 Ca -0.00 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.89 3kro h PRO 132 Cb 0.33 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 3kro h PRO 132 CO -0.12 0.43 -0.83 -0.44 -0.23 0.00 0.00 178.00 176.81 3kro h ASP 133 N 0.66 0.38 0.03 1.44 5.19 -1.87 -2.65 116.42 119.61 3kro h ASP 133 Ca 0.55 -0.28 -0.25 0.00 -0.62 0.00 0.00 57.03 56.43 3kro h ASP 133 Cb 0.99 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 40.40 3kro h ASP 133 CO -0.32 1.05 -0.98 0.03 -3.12 0.00 0.00 179.24 175.91 3kro h ARG 134 N 0.19 0.61 -0.33 3.56 3.08 -1.36 -2.45 114.38 117.67 3kro h ARG 134 Ca -0.05 -0.69 -0.00 0.00 0.07 0.00 0.00 59.98 59.31 3kro h ARG 134 Cb 1.43 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.67 3kro h ARG 134 CO 0.13 1.29 0.19 0.82 -1.07 0.00 0.00 179.97 181.33 3kro h ILE 135 N 0.22 1.12 -0.68 2.04 2.04 -1.42 0.49 117.51 121.33 3kro h ILE 135 Ca -0.13 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3kro h ILE 135 Cb 1.66 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 3kro h ILE 135 CO 0.19 0.12 0.45 0.25 0.00 0.00 0.00 178.15 179.15 3kro h LEU 136 N 0.42 0.74 -0.62 1.44 5.85 -1.52 0.79 115.31 122.41 3kro h LEU 136 Ca 0.12 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 3kro h LEU 136 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3kro h LEU 136 CO -0.02 0.52 -0.60 -0.09 -0.34 0.00 0.00 178.44 177.91 3kro h ARG 137 N 0.86 0.31 0.00 1.25 2.43 -0.77 -2.57 114.38 115.89 3kro h ARG 137 Ca 0.26 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3kro h ARG 137 Cb -0.01 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3kro h ARG 137 CO -0.07 0.82 -0.58 0.28 -1.51 0.00 0.00 179.97 178.91 3kro h VAL 138 N 0.23 1.33 -0.17 0.20 2.07 0.98 -2.01 116.25 118.88 3kro h VAL 138 Ca -0.00 -2.05 -0.17 0.00 0.82 0.00 0.00 66.70 65.29 3kro h VAL 138 Cb 1.11 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3kro h VAL 138 CO 0.10 0.57 -0.60 0.40 0.02 0.00 0.00 177.57 178.06 3kro h ILE 139 N 0.00 1.33 -0.42 4.57 2.04 -0.68 -1.48 117.51 122.86 3kro h ILE 139 Ca -0.01 -1.87 -0.09 0.00 1.00 0.00 0.00 64.86 63.89 3kro h ILE 139 Cb 1.09 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3kro h ILE 139 CO 0.08 0.58 -0.10 0.40 0.00 0.00 0.00 178.15 179.11 3kro h ILE 140 N 0.42 1.27 -0.32 -0.67 2.04 -1.26 0.19 117.51 119.18 3kro h ILE 140 Ca -0.00 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3kro h ILE 140 Cb 1.16 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3kro h ILE 140 CO 0.11 0.40 0.16 -0.33 0.00 0.00 0.00 178.15 178.50 3kro h GLU 141 N 0.63 0.46 0.21 2.37 4.39 -1.12 -1.51 114.58 120.02 3kro h GLU 141 Ca 0.11 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3kro h GLU 141 Cb 0.63 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3kro h GLU 141 CO 0.04 0.42 -0.10 0.82 -1.16 0.00 0.00 179.01 179.03 3kro h ILE 142 N 0.39 0.86 -0.33 3.13 2.04 -1.21 -0.18 117.51 122.21 3kro h ILE 142 Ca 0.11 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3kro h ILE 142 Cb 0.10 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3kro h ILE 142 CO -0.02 0.15 0.22 0.77 0.00 0.00 0.00 178.15 179.28 3kro h SER 143 N -0.67 0.25 -0.12 1.72 4.64 -1.04 -0.92 113.55 117.41 3kro h SER 143 Ca -0.03 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.10 3kro h SER 143 Cb 0.47 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3kro h SER 143 CO 0.05 0.17 -0.66 0.03 -0.87 0.00 0.00 176.83 175.55 3kro h ARG 144 N 0.29 0.66 0.00 4.77 3.08 -1.09 -2.45 114.38 119.65 3kro h ARG 144 Ca 0.14 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 59.59 3kro h ARG 144 Cb 0.20 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kro h ARG 144 CO -0.03 1.17 -0.24 0.00 -1.07 0.00 0.00 179.97 179.80 3kro h ALA 145 N 0.50 1.26 -0.68 0.04 0.00 -0.34 -2.23 119.26 117.82 3kro h ALA 145 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kro h ALA 145 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kro h ALA 145 CO 0.14 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3kro n GLY 146 N -0.42 2.63 1.89 0.00 0.00 -0.41 -0.53 105.19 108.35 3kro n GLY 146 Ca -0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3kro n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 147 N 1.37 1.75 0.45 -0.02 0.00 -0.84 -4.65 105.19 103.26 3kro n GLY 147 Ca 0.24 -2.15 0.27 0.00 0.00 0.00 0.00 46.02 44.38 3kro n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kro h PRO 148 N 0.00 0.09 -0.38 1.61 0.13 -1.87 0.72 132.00 132.29 3kro h PRO 148 Ca -0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3kro h PRO 148 Cb 0.60 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3kro h PRO 148 CO 0.19 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.40 3kro n GLU 149 N -4.33 2.47 0.00 0.86 1.02 -1.26 -3.32 120.64 116.08 3kro n GLU 149 Ca 0.19 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 3kro n GLU 149 Cb 0.91 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 3kro n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kro n GLY 150 N 1.45 1.33 0.35 0.62 0.00 0.24 -4.75 105.19 104.44 3kro n GLY 150 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3kro n GLY 150 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kro h MET 151 N 0.00 0.77 -0.25 1.61 2.86 -0.86 0.12 114.93 119.19 3kro h MET 151 Ca 0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3kro h MET 151 Cb 0.00 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3kro h MET 151 CO 0.00 0.51 0.05 0.82 1.06 0.00 0.00 176.91 179.35 3kro h ILE 152 N 0.80 1.13 -0.42 -1.22 2.04 -1.81 0.59 117.51 118.61 3kro h ILE 152 Ca 0.57 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 3kro h ILE 152 Cb 0.83 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3kro h ILE 152 CO -0.37 0.16 -0.24 0.28 0.00 0.00 0.00 178.15 177.99 3kro h SER 153 N 0.36 0.94 -0.32 1.72 0.02 -0.97 -1.40 113.55 113.89 3kro h SER 153 Ca 0.09 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3kro h SER 153 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3kro h SER 153 CO -0.00 1.15 0.11 1.23 -1.14 0.00 0.00 176.83 178.18 3kro h GLY 154 N 0.73 0.54 0.83 -3.77 0.00 -1.00 -2.13 103.07 98.27 3kro h GLY 154 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.15 3kro h GLY 154 CO 0.07 0.29 0.54 1.41 0.00 0.00 0.00 176.54 178.85 3kro h LEU 155 N 0.37 0.88 0.07 3.11 3.38 -0.81 -1.43 115.31 120.88 3kro h LEU 155 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kro h LEU 155 Cb 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kro h LEU 155 CO -0.00 0.59 -0.03 -0.74 0.09 0.00 0.00 178.44 178.34 3kro h HIS 156 N 1.03 -0.09 0.00 1.13 2.76 -1.13 -2.97 115.15 115.88 3kro h HIS 156 Ca 0.35 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.44 3kro h HIS 156 Cb 0.06 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3kro h HIS 156 CO -0.03 0.11 -0.35 0.00 -1.30 0.00 0.00 177.93 176.37 3kro h ARG 157 N -0.28 0.00 -0.18 5.26 2.47 -1.32 -2.51 114.38 117.81 3kro h ARG 157 Ca -0.01 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.75 3kro h ARG 157 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 3kro h ARG 157 CO 0.02 0.35 0.13 1.49 0.56 0.00 0.00 179.97 182.51 3kro h GLU 158 N 0.00 0.07 0.00 0.04 4.81 -1.09 0.17 114.58 118.58 3kro h GLU 158 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kro h GLU 158 Cb 0.69 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3kro h GLU 158 CO 0.05 0.05 0.00 0.39 -0.73 0.00 0.00 179.01 178.76 3kro n GLU 159 N -4.50 0.03 0.00 1.92 1.02 -0.95 -1.16 120.64 117.01 3kro n GLU 159 Ca 0.01 0.38 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3kro n GLU 159 Cb 0.21 -1.58 0.27 0.00 -0.02 0.00 0.00 31.44 30.32 3kro n GLU 159 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kro n GLU 160 N -1.64 1.51 -2.57 3.49 1.02 0.05 -4.69 120.64 117.80 3kro n GLU 160 Ca 0.02 -1.08 -0.42 0.00 -0.02 0.00 0.00 57.16 55.65 3kro n GLU 160 Cb 0.11 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 3kro n GLU 160 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kro s ILE 161 N -2.24 4.51 -0.45 -3.67 1.01 -0.31 -4.98 121.20 115.07 3kro s ILE 161 Ca 0.28 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.74 3kro s ILE 161 Cb 0.20 -4.16 0.12 0.00 0.01 0.00 0.00 42.46 38.62 3kro s ILE 161 CO 0.43 0.01 0.22 -0.69 0.00 0.00 0.00 174.94 174.90 3kro s VAL 162 N 2.08 2.96 0.10 2.92 1.01 -1.26 -4.96 120.40 123.25 3kro s VAL 162 Ca 0.52 -2.54 0.07 0.00 0.00 0.00 0.00 61.98 60.04 3kro s VAL 162 Cb -0.22 -3.05 0.11 0.00 0.00 0.00 0.00 36.38 33.23 3kro s VAL 162 CO 0.20 -0.72 0.38 -0.90 0.00 0.00 0.00 175.10 174.06 3kro n ASP 163 N 4.02 0.06 0.00 3.32 5.75 -1.26 -2.12 116.55 126.32 3kro n ASP 163 Ca 0.03 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 3kro n ASP 163 Cb 0.39 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3kro n ASP 163 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kro n GLY 164 N -1.11 -2.40 2.75 6.12 0.00 -1.26 -4.61 105.19 104.68 3kro n GLY 164 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3kro n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kro n ASN 165 N 0.00 6.51 -3.95 1.61 2.85 -0.90 -4.97 115.26 116.41 3kro n ASN 165 Ca 0.00 -3.61 -0.24 0.00 -0.11 0.00 0.00 54.58 50.62 3kro n ASN 165 Cb 0.00 -1.07 -0.17 0.00 1.24 0.00 0.00 39.78 39.78 3kro n ASN 165 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3kro s THR 166 N -3.90 0.92 0.85 -0.44 -4.23 -1.21 -4.90 115.64 102.72 3kro s THR 166 Ca 0.39 -0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.45 3kro s THR 166 Cb 0.17 -0.90 0.06 0.00 1.34 0.00 0.00 72.50 73.18 3kro s THR 166 CO -0.07 0.32 0.89 -1.54 -0.54 0.00 0.00 174.62 173.68 3kro n SER 167 N 4.19 -0.21 -0.07 3.99 3.41 -1.26 -4.89 113.62 118.77 3kro n SER 167 Ca -0.20 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 58.89 3kro n SER 167 Cb 0.51 -1.38 0.25 0.00 -0.26 0.00 0.00 64.21 63.32 3kro n SER 167 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kro h LEU 168 N -1.15 0.65 -0.83 1.04 3.38 -1.99 -2.81 115.31 113.59 3kro h LEU 168 Ca -0.45 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.47 3kro h LEU 168 Cb 1.30 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3kro h LEU 168 CO 0.42 0.65 0.52 0.44 0.09 0.00 0.00 178.44 180.56 3kro h ASP 169 N 0.68 0.82 -0.23 -0.43 3.32 -2.00 0.46 116.42 119.04 3kro h ASP 169 Ca 0.15 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 3kro h ASP 169 Cb 0.27 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kro h ASP 169 CO -0.00 0.53 -0.48 0.15 -1.72 0.00 0.00 179.24 177.72 3kro h PHE 170 N 0.96 0.99 -0.45 4.55 3.57 -1.89 -2.08 116.94 122.58 3kro h PHE 170 Ca 0.36 -0.33 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3kro h PHE 170 Cb 0.14 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3kro h PHE 170 CO -0.03 1.12 -0.08 0.82 -2.23 0.00 0.00 178.31 177.91 3kro h ILE 171 N 0.64 1.27 -0.87 1.41 2.04 -1.19 -1.45 117.51 119.35 3kro h ILE 171 Ca 0.03 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 3kro h ILE 171 Cb 1.06 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3kro h ILE 171 CO 0.10 0.41 0.45 -0.08 0.00 0.00 0.00 178.15 179.03 3kro h GLU 172 N 0.69 1.24 -0.36 2.37 4.81 -0.88 0.22 114.58 122.67 3kro h GLU 172 Ca 0.12 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3kro h GLU 172 Cb 0.61 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3kro h GLU 172 CO 0.04 0.92 0.13 -0.92 -0.73 0.00 0.00 179.01 178.46 3kro h TYR 173 N 1.23 0.56 -0.62 0.92 3.20 -1.00 0.15 116.97 121.41 3kro h TYR 173 Ca 0.30 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.18 3kro h TYR 173 Cb 0.07 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 3kro h TYR 173 CO 0.01 0.52 0.35 0.28 -1.64 0.00 0.00 178.16 177.69 3kro h VAL 174 N 0.44 0.99 -0.11 1.81 2.07 -0.77 -0.43 116.25 120.24 3kro h VAL 174 Ca 0.12 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3kro h VAL 174 Cb 0.21 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3kro h VAL 174 CO -0.01 0.12 -0.13 0.00 0.02 0.00 0.00 177.57 177.57 3kro h LYS 176 N 0.17 0.43 -0.20 0.00 3.64 0.56 0.11 116.57 121.28 3kro h LYS 176 Ca 0.04 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 3kro h LYS 176 Cb 0.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3kro h LYS 176 CO 0.02 0.72 -0.43 0.87 -2.27 0.00 0.00 179.45 178.36 3kro h LYS 177 N 0.13 0.65 -0.07 1.90 1.79 -0.91 0.23 116.57 120.29 3kro h LYS 177 Ca 0.05 -0.43 -0.24 0.00 -2.18 0.00 0.00 60.65 57.85 3kro h LYS 177 Cb 0.59 0.06 0.02 0.00 -1.58 0.00 0.00 32.23 31.31 3kro h LYS 177 CO 0.03 1.05 -0.90 -0.22 -1.08 0.00 0.00 179.45 178.33 3kro h LYS 178 N 0.34 0.73 0.00 3.15 3.64 -0.57 -3.27 116.57 120.59 3kro h LYS 178 Ca 0.00 -0.69 -0.12 0.00 -1.27 0.00 0.00 60.65 58.57 3kro h LYS 178 Cb 1.04 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3kro h LYS 178 CO 0.10 1.28 -1.43 0.66 -2.27 0.00 0.00 179.45 177.79 3kro n TYR 179 N -3.92 0.00 -0.16 1.91 4.02 0.18 -4.67 117.16 114.52 3kro n TYR 179 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.77 3kro n TYR 179 Cb 0.81 -0.28 0.06 0.00 -0.02 0.00 0.00 39.34 39.92 3kro n TYR 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kro h GLY 180 N -0.07 0.55 1.65 2.72 0.00 0.39 -1.61 103.07 106.70 3kro h GLY 180 Ca -0.19 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3kro h GLY 180 CO -0.10 -0.11 0.05 0.83 0.00 0.00 0.00 176.54 177.21 3kro h GLU 181 N 0.16 0.45 -0.07 4.80 4.39 -0.80 0.06 114.58 123.58 3kro h GLU 181 Ca 0.25 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.66 3kro h GLU 181 Cb 0.37 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3kro h GLU 181 CO -0.38 0.44 -0.84 0.52 -1.16 0.00 0.00 179.01 177.58 3kro h MET 182 N 0.44 0.57 -0.19 2.33 2.86 -1.68 -1.13 114.93 118.14 3kro h MET 182 Ca 0.10 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.20 3kro h MET 182 Cb 0.22 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3kro h MET 182 CO 0.00 1.14 0.01 0.45 1.06 0.00 0.00 176.91 179.57 3kro h HIS 183 N 0.37 0.35 -0.98 -0.22 3.86 -1.04 -0.16 115.15 117.33 3kro h HIS 183 Ca -0.06 -0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.20 3kro h HIS 183 Cb 1.46 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 29.76 3kro h HIS 183 CO 0.07 0.51 0.62 0.00 0.86 0.00 0.00 177.93 179.99 3kro h ALA 184 N 0.79 1.56 -0.42 2.45 0.00 -0.99 -0.60 119.26 122.04 3kro h ALA 184 Ca 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3kro h ALA 184 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kro h ALA 184 CO 0.01 0.22 -0.21 0.00 0.00 0.00 0.00 179.25 179.27 3kro h GLY 186 N 0.95 0.23 0.96 0.00 0.00 0.41 -1.03 103.07 104.59 3kro h GLY 186 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kro h GLY 186 CO 0.06 0.20 0.20 0.00 0.00 0.00 0.00 176.54 176.99 3kro h ALA 187 N 0.61 0.62 -0.50 3.60 0.00 -1.17 -1.75 119.26 120.67 3kro h ALA 187 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3kro h ALA 187 Cb 0.55 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3kro h ALA 187 CO 0.02 0.23 0.27 0.00 0.00 0.00 0.00 179.25 179.77 3kro h ALA 188 N 1.04 0.65 -0.52 0.00 0.00 -1.16 -0.36 119.26 118.90 3kro h ALA 188 Ca 0.16 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kro h ALA 188 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kro h ALA 188 CO -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 179.25 179.21 3kro h GLY 190 N 0.99 -0.07 0.67 0.00 0.00 -0.86 -0.55 103.07 103.25 3kro h GLY 190 Ca 0.16 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.54 3kro h GLY 190 CO 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 176.54 176.44 3kro h ALA 191 N 0.77 -0.03 -0.31 3.60 0.00 -0.66 -0.39 119.26 122.24 3kro h ALA 191 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kro h ALA 191 Cb 0.15 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3kro h ALA 191 CO 0.01 -0.56 -0.10 0.82 0.00 0.00 0.00 179.25 179.43 3kro h ILE 192 N -0.12 0.64 0.00 0.00 2.04 0.02 -1.76 117.51 118.33 3kro h ILE 192 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3kro h ILE 192 Cb 0.20 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3kro h ILE 192 CO -0.15 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 177.84 3kro h LEU 193 N -0.03 0.00 -0.07 1.44 3.38 -0.80 -2.86 115.31 116.37 3kro h LEU 193 Ca 0.15 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3kro h LEU 193 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kro h LEU 193 CO -0.34 0.09 -0.72 1.23 0.09 0.00 0.00 178.44 178.79 3kro h GLY 194 N 1.95 0.68 0.00 0.83 0.00 -0.25 -3.47 103.07 102.81 3kro h GLY 194 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.27 3kro h GLY 194 CO 0.01 0.94 0.00 0.61 0.00 0.00 0.00 176.54 178.10 3kro n GLY 195 N 0.87 0.91 3.27 4.60 0.00 -0.79 -3.89 105.19 110.15 3kro n GLY 195 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3kro n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kro s ALA 196 N -1.39 -0.81 0.16 4.61 0.00 -0.96 -5.03 121.76 118.34 3kro s ALA 196 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.17 3kro s ALA 196 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3kro s ALA 196 CO 0.00 -4.71 -0.01 0.00 0.00 0.00 0.00 175.76 171.04 3kro s ALA 197 N -2.23 3.18 0.23 0.00 0.00 -1.26 -4.90 121.76 116.79 3kro s ALA 197 Ca 0.69 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 51.33 3kro s ALA 197 Cb -0.12 -0.99 0.59 0.00 0.00 0.00 0.00 23.12 22.60 3kro s ALA 197 CO 0.57 0.52 1.14 0.39 0.00 0.00 0.00 175.76 178.38 3kro n GLU 198 N 0.02 -0.06 -0.27 0.00 -0.58 -1.26 0.66 120.64 119.15 3kro n GLU 198 Ca -0.10 1.09 -0.04 0.00 -0.42 0.00 0.00 57.16 57.69 3kro n GLU 198 Cb 0.55 -1.74 0.07 0.00 -0.57 0.00 0.00 31.44 29.75 3kro n GLU 198 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3kro h GLU 199 N 0.00 0.94 -0.20 3.49 -0.00 -2.00 -0.69 114.58 116.12 3kro h GLU 199 Ca 0.46 -0.06 -0.12 0.00 -0.00 0.00 0.00 59.36 59.64 3kro h GLU 199 Cb 0.97 -0.21 -0.00 0.00 -0.00 0.00 0.00 28.75 29.51 3kro h GLU 199 CO -0.68 0.62 -0.34 0.93 -0.00 0.00 0.00 179.01 179.54 3kro h GLU 200 N 0.96 0.58 -0.21 1.06 5.08 -0.17 -2.38 114.58 119.50 3kro h GLU 200 Ca 0.28 -0.36 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3kro h GLU 200 Cb -0.06 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3kro h GLU 200 CO -0.08 0.97 -0.14 0.82 -1.00 0.00 0.00 179.01 179.58 3kro h ILE 201 N 0.25 0.59 -0.75 3.13 2.04 -1.07 0.62 117.51 122.32 3kro h ILE 201 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3kro h ILE 201 Cb 0.93 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3kro h ILE 201 CO 0.08 0.00 0.40 1.56 0.00 0.00 0.00 178.15 180.19 3kro h GLN 202 N -0.13 1.04 -0.14 2.37 1.08 -1.11 0.56 115.11 118.77 3kro h GLN 202 Ca 0.12 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3kro h GLN 202 Cb 0.32 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3kro h GLN 202 CO -0.30 0.76 0.04 0.87 -0.95 0.00 0.00 178.83 179.26 3kro h LYS 203 N 1.04 0.22 -0.25 1.46 1.79 -0.82 -0.35 116.57 119.67 3kro h LYS 203 Ca 0.26 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.60 3kro h LYS 203 Cb 0.03 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3kro h LYS 203 CO -0.04 0.37 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.43 3kro h LEU 204 N 0.04 0.45 0.85 2.94 3.38 -0.38 0.22 115.31 122.80 3kro h LEU 204 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3kro h LEU 204 Cb 0.24 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kro h LEU 204 CO -0.00 0.65 -0.43 -0.09 0.09 0.00 0.00 178.44 178.66 3kro h ARG 205 N 0.41 -1.13 -0.71 1.13 2.43 0.30 -0.90 114.38 115.91 3kro h ARG 205 Ca 0.07 0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.46 3kro h ARG 205 Cb 0.57 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3kro h ARG 205 CO 0.04 -0.75 0.48 -0.91 -1.51 0.00 0.00 179.97 177.32 3kro h ASN 206 N -1.17 0.33 -0.24 -3.80 2.35 -0.76 0.80 115.58 113.09 3kro h ASN 206 Ca -0.11 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 3kro h ASN 206 Cb 0.91 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 3kro h ASN 206 CO 0.17 0.17 -0.31 0.15 -1.65 0.00 0.00 177.43 175.96 3kro h PHE 207 N 0.36 0.77 -0.66 1.19 3.57 -0.66 -2.53 116.94 118.97 3kro h PHE 207 Ca 0.35 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kro h PHE 207 Cb 0.85 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3kro h PHE 207 CO -0.00 0.99 0.40 0.78 -2.23 0.00 0.00 178.31 178.25 3kro h GLY 208 N 0.34 0.96 0.47 2.40 0.00 0.51 -0.47 103.07 107.27 3kro h GLY 208 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3kro h GLY 208 CO 0.07 0.38 -0.09 -2.00 0.00 0.00 0.00 176.54 174.91 3kro h LEU 209 N 0.90 -0.30 -0.32 3.11 5.85 -0.98 0.61 115.31 124.17 3kro h LEU 209 Ca 0.24 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.88 3kro h LEU 209 Cb -0.03 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kro h LEU 209 CO -0.05 -0.12 -0.44 1.88 -0.34 0.00 0.00 178.44 179.38 3kro h TYR 210 N -0.05 1.06 -0.22 1.25 -1.99 -1.12 -1.78 116.97 114.12 3kro h TYR 210 Ca 0.12 -0.35 -0.02 0.00 2.00 0.00 0.00 58.73 60.48 3kro h TYR 210 Cb 0.23 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 3kro h TYR 210 CO -0.26 1.16 0.06 0.37 -0.00 0.00 0.00 178.16 179.49 3kro h GLN 211 N 0.65 0.35 -0.59 4.88 -0.00 -0.85 0.19 115.11 119.74 3kro h GLN 211 Ca 0.04 -0.08 0.05 0.00 -0.00 0.00 0.00 58.65 58.66 3kro h GLN 211 Cb 1.04 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.42 3kro h GLN 211 CO 0.10 0.45 0.31 0.78 0.00 0.00 0.00 178.83 180.47 3kro h GLY 212 N 0.18 0.84 0.98 2.39 0.00 -0.92 0.42 103.07 106.97 3kro h GLY 212 Ca 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3kro h GLY 212 CO -0.00 0.13 0.20 -0.84 0.00 0.00 0.00 176.54 176.03 3kro h THR 213 N 0.59 1.23 -0.04 4.70 2.02 -0.91 0.99 112.91 121.48 3kro h THR 213 Ca 0.26 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kro h THR 213 Cb 0.16 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3kro h THR 213 CO -0.17 0.28 0.02 0.25 0.37 0.00 0.00 175.52 176.27 3kro h LEU 214 N 0.75 0.05 -0.50 2.58 5.85 0.24 -1.32 115.31 122.96 3kro h LEU 214 Ca 0.18 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3kro h LEU 214 Cb 0.23 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3kro h LEU 214 CO -0.01 0.07 0.18 -0.09 -0.34 0.00 0.00 178.44 178.25 3kro h ARG 215 N 0.02 0.35 -0.87 1.25 9.65 0.12 -1.30 114.38 123.59 3kro h ARG 215 Ca 0.01 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 3kro h ARG 215 Cb 0.03 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.47 3kro h ARG 215 CO -0.00 0.23 0.56 0.78 2.80 0.00 0.00 179.97 184.34 3kro h GLY 216 N 0.36 1.24 1.53 2.80 0.00 -0.18 -0.50 103.07 108.32 3kro h GLY 216 Ca 0.24 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3kro h GLY 216 CO -0.25 0.20 -0.17 1.98 0.00 0.00 0.00 176.54 178.31 3kro h MET 217 N 0.86 0.56 0.23 4.80 1.85 -0.16 -1.34 114.93 121.73 3kro h MET 217 Ca 0.40 -0.19 -0.01 0.00 -0.61 0.00 0.00 59.70 59.29 3kro h MET 217 Cb 0.41 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.39 3kro h MET 217 CO -0.17 0.71 -0.11 0.52 -0.40 0.00 0.00 176.91 177.46 3kro h MET 218 N 0.51 -0.30 -0.84 0.39 2.07 -0.30 0.54 114.93 116.99 3kro h MET 218 Ca 0.09 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.76 3kro h MET 218 Cb 0.58 0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 30.33 3kro h MET 218 CO 0.04 -0.16 0.55 0.93 1.07 0.00 0.00 176.91 179.34 3kro h GLU 219 N -0.37 1.04 -0.01 1.72 5.08 -1.18 -0.27 114.58 120.59 3kro h GLU 219 Ca -0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kro h GLU 219 Cb 0.28 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3kro h GLU 219 CO 0.05 0.69 -0.10 -1.33 -1.00 0.00 0.00 179.01 177.32 3kro n MET 220 N -4.43 1.14 -0.14 2.33 2.81 -0.52 -3.72 117.12 114.59 3kro n MET 220 Ca 0.10 -0.58 -0.12 0.00 -1.81 0.00 0.00 57.70 55.29 3kro n MET 220 Cb 0.08 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 3kro n MET 220 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3kro h LYS 221 N 1.42 0.96 -0.10 0.03 1.63 0.19 -1.57 116.57 119.14 3kro h LYS 221 Ca 0.00 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3kro h LYS 221 Cb 0.43 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3kro h LYS 221 CO 0.00 1.11 0.00 0.09 -3.45 0.00 0.00 179.45 177.20 3kro n ASN 222 N -4.11 0.10 0.06 4.20 3.02 -1.20 -3.62 115.26 113.70 3kro n ASN 222 Ca -0.01 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 3kro n ASN 222 Cb 0.48 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3kro n ASN 222 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kro n SER 223 N -0.42 0.76 -4.19 6.41 7.64 -1.00 -4.93 113.62 117.89 3kro n SER 223 Ca 0.00 0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 3kro n SER 223 Cb 0.02 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 3kro n SER 223 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3kro n HIS 224 N -3.41 4.60 -1.55 1.43 8.25 -0.62 -5.00 115.22 118.91 3kro n HIS 224 Ca 0.00 -3.95 -0.21 0.00 -0.26 0.00 0.00 57.72 53.30 3kro n HIS 224 Cb 0.06 -1.39 -0.07 0.00 1.12 0.00 0.00 29.99 29.71 3kro n HIS 224 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kro n GLN 225 N 2.38 0.65 0.00 -0.41 7.27 -1.25 -3.68 117.38 122.35 3kro n GLN 225 Ca 0.23 -0.55 0.00 0.00 0.07 0.00 0.00 57.00 56.75 3kro n GLN 225 Cb 0.38 -3.44 0.00 0.00 2.41 0.00 0.00 30.24 29.58 3kro n GLN 225 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3kro n LEU 226 N 17.12 0.00 -4.52 1.69 7.94 -1.26 -5.07 117.00 132.90 3kro n LEU 226 Ca 0.46 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 55.20 3kro n LEU 226 Cb 0.44 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.27 3kro n LEU 226 CO 0.63 0.00 1.49 -0.38 -1.11 0.00 0.00 177.39 178.02 3kro n ILE 227 N 0.00 0.00 -1.94 1.96 5.41 -1.24 -4.89 119.36 118.66 3kro n ILE 227 Ca 0.00 -0.47 -0.36 0.00 1.00 0.00 0.00 62.75 62.92 3kro n ILE 227 Cb 0.00 -1.25 0.04 0.00 -0.71 0.00 0.00 39.64 37.72 3kro n ILE 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kro s ASP 228 N 6.68 5.03 0.14 4.38 3.68 -1.26 -4.84 116.67 130.49 3kro s ASP 228 Ca 1.02 2.45 0.12 0.00 2.13 0.00 0.00 52.55 58.27 3kro s ASP 228 Cb -0.36 -2.60 0.59 0.00 -1.45 0.00 0.00 42.92 39.10 3kro s ASP 228 CO 0.25 -1.70 1.36 -0.62 0.13 0.00 0.00 175.17 174.59 3kro n GLU 229 N -1.68 0.07 -0.02 4.34 -0.58 -1.26 -2.27 120.64 119.25 3kro n GLU 229 Ca 0.14 0.52 -0.13 0.00 -0.42 0.00 0.00 57.16 57.28 3kro n GLU 229 Cb 0.49 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.57 3kro n GLU 229 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3kro h ASN 230 N 0.00 0.10 -0.13 1.62 -0.26 -1.98 -0.04 115.58 114.89 3kro h ASN 230 Ca 0.00 -0.37 0.04 0.00 -0.56 0.00 0.00 56.30 55.41 3kro h ASN 230 Cb 0.06 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 3kro h ASN 230 CO 0.00 0.44 -0.11 0.40 -1.06 0.00 0.00 177.43 177.11 3kro h ILE 231 N -0.24 0.69 -0.49 2.81 1.08 -1.82 0.37 117.51 119.90 3kro h ILE 231 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3kro h ILE 231 Cb 0.40 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 3kro h ILE 231 CO 0.01 0.00 0.25 0.40 -0.69 0.00 0.00 178.15 178.11 3kro h ILE 232 N -0.12 1.18 -0.55 -0.67 2.04 -1.62 -1.33 117.51 116.44 3kro h ILE 232 Ca 0.08 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3kro h ILE 232 Cb 0.25 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3kro h ILE 232 CO -0.20 0.20 0.23 1.23 0.00 0.00 0.00 178.15 179.61 3kro h GLY 233 N 0.65 0.88 0.22 5.37 0.00 -0.80 0.12 103.07 109.52 3kro h GLY 233 Ca 0.17 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.07 3kro h GLY 233 CO -0.02 0.44 -0.33 0.50 0.00 0.00 0.00 176.54 177.13 3kro h LYS 234 N 0.76 -0.44 -0.56 4.80 1.57 -0.68 0.58 116.57 122.61 3kro h LYS 234 Ca 0.19 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3kro h LYS 234 Cb 0.18 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3kro h LYS 234 CO -0.02 -0.29 0.13 -0.07 -0.57 0.00 0.00 179.45 178.63 3kro h LEU 235 N -0.45 0.80 -0.34 2.94 3.38 -1.04 0.27 115.31 120.87 3kro h LEU 235 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kro h LEU 235 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kro h LEU 235 CO -0.31 0.79 0.10 0.50 0.09 0.00 0.00 178.44 179.61 3kro h LYS 236 N 0.83 0.53 -0.32 1.13 3.64 -0.18 -0.20 116.57 121.99 3kro h LYS 236 Ca 0.18 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3kro h LYS 236 Cb 0.30 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3kro h LYS 236 CO -0.00 0.57 0.03 0.93 -2.27 0.00 0.00 179.45 178.71 3kro h GLU 237 N 0.39 0.55 -0.70 1.90 5.08 0.66 -2.18 114.58 120.28 3kro h GLU 237 Ca 0.11 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3kro h GLU 237 Cb 0.27 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3kro h GLU 237 CO -0.00 0.66 0.41 -0.07 -1.00 0.00 0.00 179.01 179.01 3kro h LEU 238 N 0.36 0.62 0.86 1.33 3.38 -0.18 -2.36 115.31 119.33 3kro h LEU 238 Ca 0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3kro h LEU 238 Cb 0.40 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kro h LEU 238 CO 0.01 0.41 -0.41 0.00 0.09 0.00 0.00 178.44 178.53 3kro h ALA 239 N 1.35 -1.20 -0.87 1.53 0.00 -0.73 -3.19 119.26 116.15 3kro h ALA 239 Ca 0.31 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 55.18 3kro h ALA 239 Cb 0.16 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 3kro h ALA 239 CO -0.17 -1.12 0.34 -0.07 0.00 0.00 0.00 179.25 178.23 3kro h LEU 240 N -1.26 0.24 -0.64 0.00 3.38 -1.30 0.34 115.31 116.07 3kro h LEU 240 Ca -0.12 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.14 3kro h LEU 240 Cb 0.89 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 3kro h LEU 240 CO 0.19 -0.02 0.07 -0.33 0.09 0.00 0.00 178.44 178.44 3kro h GLU 241 N 0.36 0.18 0.00 1.13 5.08 -1.41 0.21 114.58 120.13 3kro h GLU 241 Ca 0.54 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3kro h GLU 241 Cb 1.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kro h GLU 241 CO -0.54 0.12 -0.01 0.93 -1.00 0.00 0.00 179.01 178.51 3kro h GLU 242 N 0.18 0.00 0.00 2.33 4.39 -0.95 -0.23 114.58 120.31 3kro h GLU 242 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3kro h GLU 242 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3kro h GLU 242 CO -0.49 0.01 -0.47 -0.07 -1.16 0.00 0.00 179.01 176.83 3kro h LEU 243 N 0.00 0.00 -8.56 1.33 3.38 -0.57 -3.44 115.31 107.44 3kro h LEU 243 Ca -0.00 -0.03 -0.51 0.00 0.09 0.00 0.00 57.88 57.43 3kro h LEU 243 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kro h LEU 243 CO 0.00 0.02 1.61 0.61 0.09 0.00 0.00 178.44 180.76 3kro n GLY 244 N 1.18 0.25 0.00 0.83 0.00 -0.10 -1.44 105.19 105.91 3kro n GLY 244 Ca 0.03 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3kro n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 245 N 6.12 -0.45 2.90 -0.02 0.00 -1.26 -5.04 105.19 107.45 3kro n GLY 245 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 3kro n GLY 245 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kro s PHE 246 N -0.44 1.66 0.06 1.61 0.08 -0.52 -5.13 117.98 115.30 3kro s PHE 246 Ca 0.00 -1.00 0.09 0.00 0.12 0.00 0.00 56.93 56.15 3kro s PHE 246 Cb 0.00 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3kro s PHE 246 CO 0.00 -0.59 -0.25 -1.01 -0.10 0.00 0.00 175.22 173.27 3kro s HIS 247 N 1.65 2.21 -5.00 0.36 3.76 -1.26 -4.75 115.29 112.26 3kro s HIS 247 Ca 0.02 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3kro s HIS 247 Cb -0.14 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.25 3kro s HIS 247 CO -0.08 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 3kro n GLY 248 N 1.58 0.83 0.08 -2.22 0.00 -1.26 -4.77 105.19 99.44 3kro n GLY 248 Ca -0.17 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3kro n GLY 248 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kro h LYS 249 N 0.00 -0.05 -0.19 1.61 3.64 -2.00 -3.33 116.57 116.25 3kro h LYS 249 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3kro h LYS 249 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kro h LYS 249 CO 0.00 0.57 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.79 3kro h ASN 250 N -0.93 0.27 -0.92 4.20 4.21 -1.96 -2.36 115.58 118.08 3kro h ASN 250 Ca -0.01 -0.04 0.16 0.00 1.21 0.00 0.00 56.30 57.63 3kro h ASN 250 Cb 0.64 -0.07 -0.10 0.00 -1.12 0.00 0.00 38.32 37.67 3kro h ASN 250 CO 0.01 0.36 0.51 0.00 -1.29 0.00 0.00 177.43 177.02 3kro h ALA 251 N 1.68 1.44 0.00 -0.83 0.00 -1.86 0.58 119.26 120.28 3kro h ALA 251 Ca 0.06 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3kro h ALA 251 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kro h ALA 251 CO 0.01 -0.06 -0.60 0.93 0.00 0.00 0.00 179.25 179.53 3kro h GLU 252 N 0.69 0.00 0.48 0.00 5.08 -1.54 -1.88 114.58 117.40 3kro h GLU 252 Ca 0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.85 3kro h GLU 252 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3kro h GLU 252 CO -0.37 0.60 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.94 3kro h LEU 253 N 0.00 -0.54 -0.93 1.33 3.38 -0.54 0.42 115.31 118.44 3kro h LEU 253 Ca -0.01 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3kro h LEU 253 Cb 1.44 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 3kro h LEU 253 CO 0.08 -0.17 0.57 -0.03 0.09 0.00 0.00 178.44 178.98 3kro h MET 254 N -0.96 0.96 0.00 1.13 4.05 -0.05 0.21 114.93 120.27 3kro h MET 254 Ca -0.07 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 3kro h MET 254 Cb 0.59 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 3kro h MET 254 CO 0.11 0.64 -0.14 1.03 0.23 0.00 0.00 176.91 178.77 3kro h SER 255 N 0.99 0.00 1.33 1.39 0.87 -1.18 -2.34 113.55 114.61 3kro h SER 255 Ca 0.43 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.93 3kro h SER 255 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3kro h SER 255 CO -0.21 0.14 -0.25 0.77 -0.53 0.00 0.00 176.83 176.75 3kro h SER 256 N 0.00 0.00 -0.74 6.23 4.64 0.17 -2.42 113.55 121.44 3kro h SER 256 Ca -0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3kro h SER 256 Cb 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 3kro h SER 256 CO 0.02 0.25 0.43 0.25 -0.87 0.00 0.00 176.83 176.91 3kro h LEU 257 N 0.00 0.67 0.00 5.97 5.85 -1.18 -2.92 115.31 123.71 3kro h LEU 257 Ca -0.00 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.49 3kro h LEU 257 Cb 0.98 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3kro h LEU 257 CO 0.03 0.43 -1.73 1.33 -0.34 0.00 0.00 178.44 178.17 3kro n VAL 258 N -4.72 1.34 0.71 1.05 0.24 -1.23 -5.11 118.33 110.62 3kro n VAL 258 Ca 0.10 -0.75 0.09 0.00 -2.04 0.00 0.00 64.34 61.73 3kro n VAL 258 Cb 0.17 -0.78 0.07 0.00 -1.47 0.00 0.00 33.84 31.83 3kro n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69