#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kra n GLN 2 N 0.00 1.20 -0.24 3.17 6.02 -1.26 -4.77 117.38 121.50 3kra n GLN 2 Ca 0.00 0.44 0.04 0.00 -0.01 0.00 0.00 57.00 57.47 3kra n GLN 2 Cb 0.00 -2.10 0.17 0.00 1.02 0.00 0.00 30.24 29.32 3kra n GLN 2 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3kra h PRO 3 N 1.14 0.37 -0.01 -1.09 0.13 -2.05 -1.63 132.00 128.86 3kra h PRO 3 Ca -0.46 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kra h PRO 3 Cb 1.35 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kra h PRO 3 CO 0.54 0.24 0.00 -0.92 -0.23 0.00 0.00 178.00 177.64 3kra h TYR 4 N 0.38 0.01 -0.58 1.56 3.20 -1.99 -0.34 116.97 119.19 3kra h TYR 4 Ca 0.39 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.18 3kra h TYR 4 Cb 0.59 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3kra h TYR 4 CO -0.20 0.06 0.04 -1.49 -1.64 0.00 0.00 178.16 174.93 3kra h TRP 5 N -0.05 1.04 -0.52 -3.82 4.06 -1.90 -1.26 115.95 113.50 3kra h TRP 5 Ca 0.00 -0.15 -0.07 0.00 2.06 0.00 0.00 58.89 60.73 3kra h TRP 5 Cb 0.05 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 27.91 3kra h TRP 5 CO -0.06 0.91 0.03 0.00 -3.56 0.00 0.00 178.44 175.76 3kra h ALA 6 N 1.13 1.08 -0.08 1.49 0.00 -1.12 -0.05 119.26 121.70 3kra h ALA 6 Ca 0.17 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3kra h ALA 6 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kra h ALA 6 CO 0.02 0.59 -0.63 0.00 0.00 0.00 0.00 179.25 179.22 3kra h ALA 7 N 1.23 0.77 -0.32 0.00 0.00 -0.53 -1.95 119.26 118.46 3kra h ALA 7 Ca 0.16 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3kra h ALA 7 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kra h ALA 7 CO 0.02 0.74 -0.04 0.82 0.00 0.00 0.00 179.25 180.79 3kra h ILE 8 N 0.22 1.27 -0.55 0.00 2.04 -0.99 -2.63 117.51 116.87 3kra h ILE 8 Ca -0.01 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.86 3kra h ILE 8 Cb 1.16 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 3kra h ILE 8 CO 0.10 0.34 0.26 -0.08 0.00 0.00 0.00 178.15 178.77 3kra h GLU 9 N 0.37 0.48 -0.84 2.37 4.81 -0.82 -2.10 114.58 118.84 3kra h GLU 9 Ca 0.08 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3kra h GLU 9 Cb 0.51 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 3kra h GLU 9 CO 0.02 0.32 0.55 0.00 -0.73 0.00 0.00 179.01 179.17 3kra h ALA 10 N 1.32 1.10 -0.47 2.92 0.00 -1.27 0.25 119.26 123.11 3kra h ALA 10 Ca 0.25 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kra h ALA 10 Cb 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3kra h ALA 10 CO -0.20 0.40 0.24 -0.44 0.00 0.00 0.00 179.25 179.25 3kra h ASP 11 N 1.07 0.35 -0.59 0.00 3.32 -1.04 0.50 116.42 120.04 3kra h ASP 11 Ca 0.33 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 3kra h ASP 11 Cb -0.02 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3kra h ASP 11 CO -0.10 0.25 0.25 0.40 -1.72 0.00 0.00 179.24 178.32 3kra h ILE 12 N 0.48 1.22 -0.32 0.35 2.04 -0.74 0.48 117.51 121.02 3kra h ILE 12 Ca 0.20 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3kra h ILE 12 Cb 0.10 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3kra h ILE 12 CO -0.14 0.26 0.20 -0.08 0.00 0.00 0.00 178.15 178.40 3kra h GLU 13 N 0.81 0.44 -0.70 2.37 4.81 -0.40 0.33 114.58 122.23 3kra h GLU 13 Ca 0.20 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3kra h GLU 13 Cb 0.17 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3kra h GLU 13 CO -0.02 0.32 0.32 0.00 -0.73 0.00 0.00 179.01 178.90 3kra h ARG 14 N 0.42 1.00 -0.45 1.92 3.08 0.57 -1.35 114.38 119.58 3kra h ARG 14 Ca 0.12 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3kra h ARG 14 Cb -0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3kra h ARG 14 CO -0.02 0.78 0.06 -0.92 -1.07 0.00 0.00 179.97 178.80 3kra h TYR 15 N 0.99 0.80 -0.59 3.04 5.03 -0.56 -1.69 116.97 123.99 3kra h TYR 15 Ca 0.24 -0.11 -0.05 0.00 2.58 0.00 0.00 58.73 61.38 3kra h TYR 15 Cb 0.12 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 3kra h TYR 15 CO 0.01 0.76 0.15 -0.07 -1.32 0.00 0.00 178.16 177.69 3kra h LEU 16 N 0.61 0.86 -0.55 2.82 3.38 -0.63 -1.16 115.31 120.64 3kra h LEU 16 Ca 0.14 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3kra h LEU 16 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kra h LEU 16 CO 0.01 0.83 -0.16 0.11 0.09 0.00 0.00 178.44 179.32 3kra h LYS 17 N 0.88 1.00 -0.02 1.13 1.57 -1.09 -0.90 116.57 119.15 3kra h LYS 17 Ca 0.19 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 3kra h LYS 17 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3kra h LYS 17 CO -0.00 1.08 -0.39 -0.22 -0.57 0.00 0.00 179.45 179.35 3kra h LYS 18 N 0.88 0.04 0.00 3.15 3.64 -1.07 -3.12 116.57 120.08 3kra h LYS 18 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3kra h LYS 18 Cb 0.73 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3kra h LYS 18 CO 0.06 0.42 -0.24 0.77 -2.27 0.00 0.00 179.45 178.19 3kra h SER 19 N 0.03 0.00 -3.63 4.20 0.02 -0.72 -3.40 113.55 110.04 3kra h SER 19 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3kra h SER 19 Cb 0.70 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.86 3kra h SER 19 CO 0.05 0.24 -0.67 -0.63 -1.14 0.00 0.00 176.83 174.68 3kra s ILE 20 N -3.11 2.56 -0.31 3.27 1.01 -0.39 -5.06 121.20 119.18 3kra s ILE 20 Ca 0.05 -2.27 -0.11 0.00 0.00 0.00 0.00 60.65 58.32 3kra s ILE 20 Cb 0.06 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3kra s ILE 20 CO 0.70 -0.63 0.19 0.42 0.00 0.00 0.00 174.94 175.63 3kra s THR 21 N 0.96 5.06 0.13 2.92 -4.23 -1.26 -4.78 115.64 114.45 3kra s THR 21 Ca 0.10 -0.14 -0.31 0.00 -1.18 0.00 0.00 61.69 60.16 3kra s THR 21 Cb -0.20 -3.52 -0.11 0.00 1.34 0.00 0.00 72.50 70.01 3kra s THR 21 CO -0.07 0.11 1.83 -0.38 -0.54 0.00 0.00 174.62 175.57 3kra n ILE 22 N 5.05 0.32 -3.84 2.99 5.41 -1.26 -4.92 119.36 123.11 3kra n ILE 22 Ca -0.14 -0.06 -0.08 0.00 1.00 0.00 0.00 62.75 63.48 3kra n ILE 22 Cb 0.50 -2.11 -0.00 0.00 -0.71 0.00 0.00 39.64 37.32 3kra n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kra s ARG 23 N 2.54 1.94 0.35 0.38 1.70 -1.26 -5.06 118.95 119.54 3kra s ARG 23 Ca 0.81 -1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 54.63 3kra s ARG 23 Cb -0.48 0.61 -0.10 0.00 -0.57 0.00 0.00 34.95 34.40 3kra s ARG 23 CO 0.37 -0.90 1.29 -2.14 -1.08 0.00 0.00 175.30 172.83 3kra s PRO 24 N -3.21 4.25 -0.08 3.89 0.02 -1.26 -2.74 135.00 135.88 3kra s PRO 24 Ca 0.13 2.16 -0.26 0.00 0.02 0.00 0.00 61.00 63.05 3kra s PRO 24 Cb -0.05 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 3kra s PRO 24 CO 0.09 -0.26 0.85 -1.25 -0.33 0.00 0.00 177.00 176.10 3kra s PRO 25 N -1.93 4.43 0.45 5.54 0.04 -1.26 -4.98 135.00 137.30 3kra s PRO 25 Ca 0.51 1.13 0.31 0.00 0.04 0.00 0.00 61.00 62.99 3kra s PRO 25 Cb -0.38 -3.50 1.45 0.00 0.04 0.00 0.00 34.50 32.11 3kra s PRO 25 CO 0.51 -0.12 1.93 0.93 0.04 0.00 0.00 177.00 180.29 3kra h GLU 26 N 6.96 0.00 0.00 4.56 5.08 -1.92 -0.83 114.58 128.43 3kra h GLU 26 Ca -0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3kra h GLU 26 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3kra h GLU 26 CO 0.79 0.00 -0.04 1.79 -1.00 0.00 0.00 179.01 180.55 3kra h THR 27 N 0.00 0.41 0.00 1.13 1.35 -1.98 0.15 112.91 113.97 3kra h THR 27 Ca 0.00 -0.20 -0.41 0.00 -0.55 0.00 0.00 66.41 65.25 3kra h THR 27 Cb 0.27 1.14 -0.06 0.00 -1.73 0.00 0.00 68.15 67.77 3kra h THR 27 CO 0.00 0.04 -2.34 0.52 -0.25 0.00 0.00 175.52 173.49 3kra n VAL 28 N -3.60 1.53 0.18 6.82 0.31 -0.40 -4.50 118.33 118.67 3kra n VAL 28 Ca -0.02 -0.32 0.05 0.00 -0.01 0.00 0.00 64.34 64.04 3kra n VAL 28 Cb 0.14 -1.94 0.25 0.00 -0.91 0.00 0.00 33.84 31.38 3kra n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kra h PHE 29 N -1.00 0.00 0.58 3.52 -1.00 -1.34 -2.53 116.94 115.18 3kra h PHE 29 Ca -0.62 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.13 3kra h PHE 29 Cb 1.54 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.10 3kra h PHE 29 CO -0.12 0.40 -0.28 0.78 -1.61 0.00 0.00 178.31 177.47 3kra h GLY 30 N 2.59 -0.82 1.48 -1.45 0.00 -0.94 -1.35 103.07 102.58 3kra h GLY 30 Ca -0.00 0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 3kra h GLY 30 CO 0.05 -0.30 -0.12 -0.56 0.00 0.00 0.00 176.54 175.61 3kra h PRO 31 N -0.92 0.62 -0.52 4.80 0.13 -1.74 -1.13 132.00 133.24 3kra h PRO 31 Ca -0.08 -0.19 0.05 0.00 -0.87 0.00 0.00 66.00 64.91 3kra h PRO 31 Cb 0.65 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.67 3kra h PRO 31 CO 0.13 0.73 0.26 1.98 -0.23 0.00 0.00 178.00 180.87 3kra h MET 32 N 0.57 0.48 -0.08 0.86 4.05 -1.38 0.18 114.93 119.61 3kra h MET 32 Ca 0.10 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 3kra h MET 32 Cb 0.54 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 3kra h MET 32 CO 0.03 0.32 -0.11 1.25 0.23 0.00 0.00 176.91 178.63 3kra h HIS 33 N 0.50 0.27 0.03 1.39 -0.00 -1.06 -2.82 115.15 113.45 3kra h HIS 33 Ca 0.23 -0.09 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 3kra h HIS 33 Cb 0.15 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 3kra h HIS 33 CO -0.11 0.68 -0.11 1.25 -0.00 0.00 0.00 177.93 179.65 3kra h HIS 34 N -0.22 -0.29 0.00 5.26 6.17 -0.92 -2.82 115.15 122.33 3kra h HIS 34 Ca 0.01 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.04 3kra h HIS 34 Cb 0.65 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 3kra h HIS 34 CO 0.10 -0.17 -0.30 -0.07 0.71 0.00 0.00 177.93 178.20 3kra h LEU 35 N -0.21 0.00 -0.50 0.26 3.38 -0.73 0.35 115.31 117.87 3kra h LEU 35 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kra h LEU 35 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kra h LEU 35 CO -0.09 0.30 0.31 0.74 0.09 0.00 0.00 178.44 179.79 3kra h THR 36 N 0.00 1.15 -0.00 0.22 2.02 -1.24 -2.91 112.91 112.14 3kra h THR 36 Ca -0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kra h THR 36 Cb 0.56 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3kra h THR 36 CO 0.04 0.15 -0.41 0.49 0.37 0.00 0.00 175.52 176.15 3kra n PHE 37 N -4.71 0.00 0.19 3.16 3.01 -1.01 -3.70 117.46 114.41 3kra n PHE 37 Ca 0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.57 3kra n PHE 37 Cb 0.04 -0.28 0.14 0.00 -0.01 0.00 0.00 39.48 39.37 3kra n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kra h ALA 38 N 3.03 0.88 -2.38 4.37 0.00 -0.74 -3.45 119.26 120.97 3kra h ALA 38 Ca 0.00 -0.17 -0.48 0.00 0.00 0.00 0.00 54.91 54.25 3kra h ALA 38 Cb 0.50 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.31 3kra h ALA 38 CO 0.00 0.23 0.39 0.00 0.00 0.00 0.00 179.25 179.87 3kra s ALA 39 N -3.15 2.78 0.77 0.00 0.00 -1.15 -5.00 121.76 116.02 3kra s ALA 39 Ca 0.06 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 3kra s ALA 39 Cb 0.06 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.98 3kra s ALA 39 CO 0.69 -0.60 1.20 -2.14 0.00 0.00 0.00 175.76 174.91 3kra s PRO 40 N -3.59 1.90 0.52 0.00 0.02 -1.26 -4.98 135.00 127.61 3kra s PRO 40 Ca 0.67 1.72 -0.20 0.00 0.02 0.00 0.00 61.00 63.21 3kra s PRO 40 Cb -0.17 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 3kra s PRO 40 CO 0.28 -2.00 1.11 0.00 -0.33 0.00 0.00 177.00 176.06 3kra s ALA 41 N -2.12 2.78 -0.04 -1.55 0.00 -1.26 -4.94 121.76 114.63 3kra s ALA 41 Ca 0.73 0.78 0.05 0.00 0.00 0.00 0.00 51.96 53.52 3kra s ALA 41 Cb -0.28 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 3kra s ALA 41 CO 0.48 -0.63 -0.19 -0.08 0.00 0.00 0.00 175.76 175.34 3kra s THR 42 N -1.79 1.55 -0.91 0.00 -1.32 -1.26 -4.99 115.64 106.92 3kra s THR 42 Ca 0.70 -0.79 0.18 0.00 -1.21 0.00 0.00 61.69 60.57 3kra s THR 42 Cb -0.23 -1.32 0.16 0.00 -1.51 0.00 0.00 72.50 69.61 3kra s THR 42 CO 0.26 0.44 1.57 0.00 -2.21 0.00 0.00 174.62 174.69 3kra n ALA 43 N 3.01 1.77 0.19 11.08 0.00 -1.26 -1.94 120.51 133.36 3kra n ALA 43 Ca -0.17 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.27 3kra n ALA 43 Cb 0.53 -1.30 0.45 0.00 0.00 0.00 0.00 19.45 19.14 3kra n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kra h ALA 44 N 2.53 1.61 0.12 0.00 0.00 -1.89 0.20 119.26 121.83 3kra h ALA 44 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3kra h ALA 44 Cb 0.32 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kra h ALA 44 CO 0.00 0.29 -0.97 1.03 0.00 0.00 0.00 179.25 179.60 3kra h SER 45 N 0.06 0.39 -0.20 0.00 0.87 -1.67 -3.16 113.55 109.84 3kra h SER 45 Ca 0.01 -0.91 -0.09 0.00 -1.23 0.00 0.00 61.79 59.57 3kra h SER 45 Cb 0.37 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3kra h SER 45 CO 0.03 1.44 -0.18 0.71 -0.53 0.00 0.00 176.83 178.30 3kra h THR 46 N -0.42 1.26 -0.19 2.23 1.35 -1.56 -2.39 112.91 113.18 3kra h THR 46 Ca -0.19 -1.20 0.05 0.00 -0.55 0.00 0.00 66.41 64.52 3kra h THR 46 Cb 1.62 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3kra h THR 46 CO 0.10 0.39 0.15 0.25 -0.25 0.00 0.00 175.52 176.16 3kra h LEU 47 N 0.56 0.00 0.06 3.87 5.85 -0.69 -0.48 115.31 124.48 3kra h LEU 47 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kra h LEU 47 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3kra h LEU 47 CO 0.04 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.11 3kra h LEU 49 N -0.51 0.69 -0.03 0.00 3.38 -1.37 -2.45 115.31 115.02 3kra h LEU 49 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kra h LEU 49 Cb 0.44 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kra h LEU 49 CO 0.01 0.70 0.01 0.00 0.09 0.00 0.00 178.44 179.25 3kra h ALA 50 N 1.02 0.03 -0.85 1.53 0.00 -1.14 -1.59 119.26 118.25 3kra h ALA 50 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kra h ALA 50 Cb 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3kra h ALA 50 CO -0.01 -0.48 0.55 0.00 0.00 0.00 0.00 179.25 179.31 3kra h ALA 51 N 1.02 1.36 0.92 0.00 0.00 -1.02 0.31 119.26 121.85 3kra h ALA 51 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kra h ALA 51 Cb 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kra h ALA 51 CO -0.02 0.58 -0.45 0.00 0.00 0.00 0.00 179.25 179.36 3kra h GLU 53 N -1.25 0.58 -0.81 0.00 4.81 -1.03 -1.52 114.58 115.37 3kra h GLU 53 Ca -0.13 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.22 3kra h GLU 53 Cb 0.96 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 3kra h GLU 53 CO 0.20 0.38 0.53 1.25 -0.73 0.00 0.00 179.01 180.64 3kra h LEU 54 N 0.59 0.49 -1.88 1.64 5.85 0.00 0.18 115.31 122.18 3kra h LEU 54 Ca 0.38 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.13 3kra h LEU 54 Cb 0.45 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3kra h LEU 54 CO -0.30 0.25 0.00 1.33 -0.34 0.00 0.00 178.44 179.38 3kra n VAL 55 N -4.51 0.71 -0.49 1.05 0.24 -0.62 -4.92 118.33 109.79 3kra n VAL 55 Ca 0.16 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3kra n VAL 55 Cb 0.51 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3kra n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kra n GLY 56 N 1.28 0.76 2.57 7.63 0.00 0.63 -4.76 105.19 113.31 3kra n GLY 56 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3kra n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 57 N -2.00 -1.72 3.64 -0.02 0.00 -0.89 -4.95 105.19 99.26 3kra n GLY 57 Ca 0.00 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 3kra n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kra s ASP 58 N -4.12 6.05 0.61 1.61 2.15 -1.26 -4.17 116.67 117.53 3kra s ASP 58 Ca 0.51 0.09 0.27 0.00 0.43 0.00 0.00 52.55 53.84 3kra s ASP 58 Cb -0.02 -2.09 1.28 0.00 -0.30 0.00 0.00 42.92 41.79 3kra s ASP 58 CO 0.36 0.05 1.70 0.08 -0.17 0.00 0.00 175.17 177.20 3kra h ARG 59 N 7.60 0.00 0.00 4.34 0.11 -1.90 0.94 114.38 125.46 3kra h ARG 59 Ca -0.38 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.70 3kra h ARG 59 Cb 1.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 3kra h ARG 59 CO 0.64 0.00 -0.01 1.03 0.10 0.00 0.00 179.97 181.73 3kra h SER 60 N 0.00 0.00 0.34 0.08 0.87 -1.94 -1.39 113.55 111.51 3kra h SER 60 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3kra h SER 60 Cb 1.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 3kra h SER 60 CO -0.00 0.01 -0.34 0.00 -0.53 0.00 0.00 176.83 175.97 3kra n GLN 61 N -3.18 0.52 0.00 2.24 10.64 0.32 -3.61 117.38 124.32 3kra n GLN 61 Ca -0.02 -0.30 0.08 0.00 -1.83 0.00 0.00 57.00 54.93 3kra n GLN 61 Cb 0.16 -1.49 0.06 0.00 -0.86 0.00 0.00 30.24 28.10 3kra n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kra n ALA 62 N -0.98 2.54 -0.10 2.61 0.00 -0.55 -4.65 120.51 119.38 3kra n ALA 62 Ca 0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 3kra n ALA 62 Cb 0.34 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 3kra n ALA 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kra h MET 63 N 3.09 0.44 -0.93 0.00 -1.53 -1.54 0.12 114.93 114.58 3kra h MET 63 Ca 0.00 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.18 3kra h MET 63 Cb 0.67 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.60 3kra h MET 63 CO 0.00 0.42 0.54 0.00 0.14 0.00 0.00 176.91 178.00 3kra h ALA 64 N 1.01 1.19 -0.45 0.39 0.00 -1.83 -0.42 119.26 119.15 3kra h ALA 64 Ca 0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3kra h ALA 64 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kra h ALA 64 CO -0.01 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 3kra h ALA 65 N 1.29 0.82 -0.63 0.00 0.00 -1.81 -0.14 119.26 118.81 3kra h ALA 65 Ca 0.33 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kra h ALA 65 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kra h ALA 65 CO -0.06 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.94 3kra h ALA 66 N 1.01 0.99 -0.12 0.00 0.00 0.12 -1.22 119.26 120.04 3kra h ALA 66 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kra h ALA 66 Cb 0.72 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kra h ALA 66 CO 0.06 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.96 3kra h ALA 67 N 1.14 0.16 -0.89 0.00 0.00 -0.95 -1.99 119.26 116.74 3kra h ALA 67 Ca 0.19 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kra h ALA 67 Cb 0.42 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3kra h ALA 67 CO 0.01 -0.17 0.56 0.00 0.00 0.00 0.00 179.25 179.65 3kra h ALA 68 N 0.78 1.22 -0.52 0.00 0.00 -0.82 -0.93 119.26 118.98 3kra h ALA 68 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kra h ALA 68 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kra h ALA 68 CO 0.00 0.32 0.07 0.82 0.00 0.00 0.00 179.25 180.46 3kra h ILE 69 N 1.02 1.26 -0.76 0.00 2.04 -1.10 0.60 117.51 120.56 3kra h ILE 69 Ca 0.38 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 3kra h ILE 69 Cb 0.16 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3kra h ILE 69 CO -0.17 0.35 0.27 -0.74 0.00 0.00 0.00 178.15 177.86 3kra h HIS 70 N 0.76 1.20 -0.34 1.37 2.76 -0.84 -1.57 115.15 118.49 3kra h HIS 70 Ca 0.16 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 3kra h HIS 70 Cb 0.43 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3kra h HIS 70 CO 0.03 0.93 0.08 -0.07 -1.30 0.00 0.00 177.93 177.60 3kra h LEU 71 N 1.13 0.51 -0.79 0.26 3.38 -0.65 0.19 115.31 119.35 3kra h LEU 71 Ca 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kra h LEU 71 Cb 0.27 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3kra h LEU 71 CO -0.01 0.62 0.42 0.58 0.09 0.00 0.00 178.44 180.13 3kra h VAL 72 N 0.39 1.24 -0.71 1.22 2.07 -0.78 -0.62 116.25 119.05 3kra h VAL 72 Ca 0.11 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3kra h VAL 72 Cb 0.30 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3kra h VAL 72 CO 0.00 0.27 0.24 -0.74 0.02 0.00 0.00 177.57 177.37 3kra h HIS 73 N 1.10 1.12 -0.41 1.57 -0.00 -0.97 -2.27 115.15 115.28 3kra h HIS 73 Ca 0.28 -0.10 -0.09 0.00 -0.00 0.00 0.00 60.37 60.46 3kra h HIS 73 Cb 0.05 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 3kra h HIS 73 CO 0.00 0.88 -0.09 0.00 -0.00 0.00 0.00 177.93 178.73 3kra h ALA 74 N 1.11 0.56 -0.67 5.26 0.00 -0.06 0.72 119.26 126.19 3kra h ALA 74 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kra h ALA 74 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kra h ALA 74 CO -0.01 0.43 0.29 0.00 0.00 0.00 0.00 179.25 179.96 3kra h ALA 75 N 0.85 0.86 -0.51 0.00 0.00 -1.08 -0.30 119.26 119.08 3kra h ALA 75 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kra h ALA 75 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kra h ALA 75 CO 0.04 0.46 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3kra h ALA 76 N 1.13 1.21 -0.36 0.00 0.00 -0.98 -0.67 119.26 119.58 3kra h ALA 76 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kra h ALA 76 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kra h ALA 76 CO -0.02 0.54 0.08 -0.92 0.00 0.00 0.00 179.25 178.93 3kra h TYR 77 N 0.76 0.61 0.11 0.00 3.20 -0.45 0.25 116.97 121.45 3kra h TYR 77 Ca 0.16 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3kra h TYR 77 Cb 0.33 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3kra h TYR 77 CO 0.02 0.61 -0.05 0.28 -1.64 0.00 0.00 178.16 177.38 3kra h VAL 78 N 0.43 0.94 -0.57 1.81 2.07 -0.75 -2.61 116.25 117.57 3kra h VAL 78 Ca 0.11 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kra h VAL 78 Cb 0.31 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3kra h VAL 78 CO 0.00 0.04 0.32 0.45 0.02 0.00 0.00 177.57 178.40 3kra h HIS 79 N -0.22 0.76 -0.06 1.57 3.86 -1.02 -2.19 115.15 117.85 3kra h HIS 79 Ca -0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3kra h HIS 79 Cb 0.18 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3kra h HIS 79 CO -0.05 0.53 0.02 1.49 0.86 0.00 0.00 177.93 180.78 3kra h GLU 80 N 0.79 0.08 -0.72 2.45 4.81 -0.18 -3.01 114.58 118.80 3kra h GLU 80 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3kra h GLU 80 Cb 0.01 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3kra h GLU 80 CO -0.03 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 179.04 3kra n HIS 81 N -4.50 1.20 -2.02 0.92 8.25 -0.84 -4.98 115.22 113.24 3kra n HIS 81 Ca -0.02 -0.54 -0.41 0.00 -0.26 0.00 0.00 57.72 56.49 3kra n HIS 81 Cb 0.10 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3kra n HIS 81 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kra s LEU 82 N -1.32 4.39 -0.62 2.41 1.43 -1.10 -4.92 118.68 118.94 3kra s LEU 82 Ca 0.51 2.73 -0.27 0.00 -1.03 0.00 0.00 54.13 56.06 3kra s LEU 82 Cb 0.29 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3kra s LEU 82 CO 0.31 -0.67 1.46 -2.84 0.23 0.00 0.00 176.35 174.84 3kra s PRO 83 N -1.07 3.16 0.33 1.29 0.02 -1.26 -5.00 135.00 132.46 3kra s PRO 83 Ca 0.55 0.30 -0.11 0.00 0.02 0.00 0.00 61.00 61.76 3kra s PRO 83 Cb -0.42 -4.18 -0.07 0.00 0.02 0.00 0.00 34.50 29.85 3kra s PRO 83 CO 0.49 -2.13 0.68 -0.51 -0.33 0.00 0.00 177.00 175.20 3kra s LEU 84 N 6.50 4.01 0.04 -5.54 1.43 -1.26 -5.01 118.68 118.84 3kra s LEU 84 Ca 0.50 1.07 0.25 0.00 -1.03 0.00 0.00 54.13 54.93 3kra s LEU 84 Cb -0.10 -3.90 0.42 0.00 0.03 0.00 0.00 46.19 42.64 3kra s LEU 84 CO 0.22 -0.24 1.35 0.35 0.23 0.00 0.00 176.35 178.26 3kra n THR 85 N -0.71 0.12 -0.51 5.49 -2.24 -1.26 -4.38 114.28 110.80 3kra n THR 85 Ca 0.02 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 3kra n THR 85 Cb 0.53 0.12 0.26 0.00 -2.10 0.00 0.00 70.33 69.14 3kra n THR 85 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kra n ASP 86 N -1.73 3.81 -2.04 3.42 5.75 -1.26 -4.95 116.55 119.55 3kra n ASP 86 Ca 0.04 -2.35 -0.18 0.00 -0.01 0.00 0.00 54.79 52.29 3kra n ASP 86 Cb 0.38 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 3kra n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kra n GLY 87 N 0.60 0.46 0.02 6.12 0.00 -1.26 -4.82 105.19 106.31 3kra n GLY 87 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3kra n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kra n SER 88 N -1.59 0.15 -4.01 1.61 3.41 -1.26 -4.77 113.62 107.15 3kra n SER 88 Ca -0.20 0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 58.85 3kra n SER 88 Cb 0.64 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 3kra n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kra s ARG 89 N -3.04 0.51 0.63 4.33 1.70 -1.26 -5.12 118.95 116.68 3kra s ARG 89 Ca 0.10 -0.90 -0.17 0.00 -0.47 0.00 0.00 55.73 54.28 3kra s ARG 89 Cb 0.13 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3kra s ARG 89 CO 0.41 -0.10 1.18 -1.25 -1.08 0.00 0.00 175.30 174.46 3kra s PRO 90 N -2.78 2.82 -1.09 3.89 0.04 -1.26 -4.90 135.00 131.73 3kra s PRO 90 Ca -0.04 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 3kra s PRO 90 Cb -0.00 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.85 3kra s PRO 90 CO -0.06 -1.29 1.15 0.08 0.04 0.00 0.00 177.00 176.92 3kra s VAL 91 N -1.84 5.62 -0.33 -0.36 1.01 -1.26 -4.96 120.40 118.27 3kra s VAL 91 Ca 0.74 -2.98 -0.31 0.00 0.00 0.00 0.00 61.98 59.44 3kra s VAL 91 Cb -0.27 -4.68 -0.13 0.00 0.00 0.00 0.00 36.38 31.30 3kra s VAL 91 CO 0.36 -1.30 1.16 -1.54 0.00 0.00 0.00 175.10 173.78 3kra n SER 92 N 3.89 0.72 -0.09 3.32 3.41 -1.26 -4.59 113.62 119.02 3kra n SER 92 Ca 0.26 0.69 0.07 0.00 -0.26 0.00 0.00 58.87 59.63 3kra n SER 92 Cb 0.42 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 3kra n SER 92 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3kra n LYS 93 N 3.28 -0.02 -2.70 4.33 4.81 -1.26 -3.73 118.16 122.87 3kra n LYS 93 Ca 0.25 0.39 -0.43 0.00 -0.87 0.00 0.00 58.31 57.65 3kra n LYS 93 Cb -0.04 -0.68 -0.03 0.00 0.02 0.00 0.00 35.03 34.31 3kra n LYS 93 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3kra s PRO 94 N -4.65 3.77 0.11 1.64 0.02 -1.26 -4.99 135.00 129.64 3kra s PRO 94 Ca -0.03 0.57 -0.17 0.00 0.02 0.00 0.00 61.00 61.39 3kra s PRO 94 Cb 0.09 -3.86 -0.07 0.00 0.02 0.00 0.00 34.50 30.68 3kra s PRO 94 CO 0.22 -1.16 0.57 0.00 -0.33 0.00 0.00 177.00 176.29 3kra s ALA 95 N 3.94 3.57 0.37 -1.55 0.00 -1.24 -5.08 121.76 121.77 3kra s ALA 95 Ca 0.43 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.44 3kra s ALA 95 Cb -0.10 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 3kra s ALA 95 CO 0.25 0.42 0.10 0.96 0.00 0.00 0.00 175.76 177.49 3kra s ILE 96 N -1.28 2.54 0.58 0.00 -4.36 -1.26 -5.11 121.20 112.31 3kra s ILE 96 Ca 0.33 -1.81 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 3kra s ILE 96 Cb -0.17 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 3kra s ILE 96 CO 0.19 -0.11 1.08 -1.10 0.24 0.00 0.00 174.94 175.25 3kra s GLN 97 N -3.81 3.29 -0.18 0.37 -1.52 -1.26 -5.04 119.66 111.51 3kra s GLN 97 Ca 0.38 1.38 -0.02 0.00 -1.95 0.00 0.00 55.36 55.15 3kra s GLN 97 Cb 0.02 -2.02 0.05 0.00 -0.22 0.00 0.00 33.01 30.84 3kra s GLN 97 CO 0.21 -0.86 0.00 -1.01 -0.25 0.00 0.00 175.29 173.39 3kra s HIS 98 N -2.16 1.28 0.08 0.91 3.76 -1.26 -5.01 115.29 112.89 3kra s HIS 98 Ca 0.67 -0.92 -0.12 0.00 -0.15 0.00 0.00 55.06 54.55 3kra s HIS 98 Cb -0.19 -1.12 -0.21 0.00 1.11 0.00 0.00 32.58 32.16 3kra s HIS 98 CO 0.32 -0.59 1.20 -0.22 -0.85 0.00 0.00 174.74 174.60 3kra h LYS 99 N 8.19 0.63 -6.20 1.40 3.64 -2.03 -3.46 116.57 118.74 3kra h LYS 99 Ca -0.18 -0.70 -0.53 0.00 -1.27 0.00 0.00 60.65 57.96 3kra h LYS 99 Cb 1.11 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 3kra h LYS 99 CO 0.35 1.29 -0.55 0.71 -2.27 0.00 0.00 179.45 178.98 3kra s TYR 100 N -3.25 3.10 0.83 1.91 2.02 -1.26 -5.12 117.35 115.58 3kra s TYR 100 Ca -0.09 -0.09 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 3kra s TYR 100 Cb 0.07 -1.43 0.09 0.00 -0.40 0.00 0.00 41.96 40.29 3kra s TYR 100 CO 0.91 0.52 1.10 0.20 -1.57 0.00 0.00 175.55 176.72 3kra s GLY 101 N -3.57 1.62 0.25 0.71 0.00 -1.26 -4.78 107.32 100.28 3kra s GLY 101 Ca 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 3kra s GLY 101 CO 0.24 0.23 1.72 -2.55 0.00 0.00 0.00 173.10 172.74 3kra h PRO 102 N -1.23 0.39 -0.44 2.90 0.11 -1.98 -0.99 132.00 130.75 3kra h PRO 102 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3kra h PRO 102 Cb 1.28 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3kra h PRO 102 CO 0.59 0.26 0.13 -2.95 -0.21 0.00 0.00 178.00 175.82 3kra h ASN 103 N 0.40 0.65 -0.18 -2.05 7.08 -1.99 0.20 115.58 119.70 3kra h ASN 103 Ca 0.42 -0.21 -0.13 0.00 -3.08 0.00 0.00 56.30 53.30 3kra h ASN 103 Cb 0.67 -0.17 -0.01 0.00 -2.08 0.00 0.00 38.32 36.73 3kra h ASN 103 CO -0.43 0.69 -0.33 0.58 -2.08 0.00 0.00 177.43 175.86 3kra h VAL 104 N 0.58 1.28 -0.11 6.14 2.07 -1.79 -1.03 116.25 123.40 3kra h VAL 104 Ca 0.14 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3kra h VAL 104 Cb 0.28 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kra h VAL 104 CO -0.00 0.47 -0.02 -0.33 0.02 0.00 0.00 177.57 177.71 3kra h GLU 105 N 0.58 0.20 -0.19 1.57 5.08 -1.03 -0.40 114.58 120.39 3kra h GLU 105 Ca 0.06 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3kra h GLU 105 Cb 0.84 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 3kra h GLU 105 CO 0.07 0.50 -0.13 1.25 -1.00 0.00 0.00 179.01 179.70 3kra h LEU 106 N -0.11 -0.42 -0.72 1.33 5.85 -0.49 -1.35 115.31 119.41 3kra h LEU 106 Ca 0.03 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3kra h LEU 106 Cb 0.42 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3kra h LEU 106 CO 0.01 -0.17 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.83 3kra h LEU 107 N -0.13 0.92 -0.66 2.25 3.38 -1.19 -2.60 115.31 117.28 3kra h LEU 107 Ca 0.11 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3kra h LEU 107 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kra h LEU 107 CO -0.27 1.01 -0.14 0.74 0.09 0.00 0.00 178.44 179.86 3kra h THR 108 N 0.86 1.27 -0.96 0.22 2.02 -0.70 -0.08 112.91 115.54 3kra h THR 108 Ca 0.15 -1.26 0.03 0.00 0.77 0.00 0.00 66.41 66.10 3kra h THR 108 Cb 0.57 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3kra h THR 108 CO 0.03 0.44 0.62 1.23 0.37 0.00 0.00 175.52 178.21 3kra h GLY 109 N 0.95 1.39 2.00 2.16 0.00 -1.13 0.11 103.07 108.55 3kra h GLY 109 Ca 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3kra h GLY 109 CO 0.05 0.41 -0.04 -0.55 0.00 0.00 0.00 176.54 176.41 3kra h ASP 110 N 1.21 0.00 0.56 0.19 3.32 -0.67 -2.70 116.42 118.33 3kra h ASP 110 Ca 0.38 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.27 3kra h ASP 110 Cb -0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3kra h ASP 110 CO -0.12 0.04 -1.57 0.61 -1.72 0.00 0.00 179.24 176.49 3kra n GLY 111 N -0.50 -1.17 0.20 2.75 0.00 -0.34 -4.27 105.19 101.86 3kra n GLY 111 Ca -0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 3kra n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kra h ILE 112 N 0.00 1.32 0.47 -0.61 2.04 -0.54 -2.95 117.51 117.23 3kra h ILE 112 Ca -0.18 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 3kra h ILE 112 Cb 1.55 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 3kra h ILE 112 CO 0.03 0.57 -0.33 0.58 0.00 0.00 0.00 178.15 179.00 3kra h VAL 113 N 0.37 0.31 0.00 1.67 2.07 -1.70 -2.10 116.25 116.87 3kra h VAL 113 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kra h VAL 113 Cb 1.22 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kra h VAL 113 CO 0.12 0.00 -0.06 1.55 0.02 0.00 0.00 177.57 179.21 3kra h PRO 114 N -0.78 0.00 -0.83 1.57 0.13 -1.74 -1.44 132.00 128.91 3kra h PRO 114 Ca -0.05 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.15 3kra h PRO 114 Cb 0.66 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 3kra h PRO 114 CO 0.02 0.06 0.54 0.35 -0.23 0.00 0.00 178.00 178.74 3kra h PHE 115 N 0.00 0.93 -0.92 1.56 -0.00 -1.20 0.77 116.94 118.08 3kra h PHE 115 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.98 3kra h PHE 115 Cb 0.11 -0.30 -0.04 0.00 -0.00 0.00 0.00 35.95 35.71 3kra h PHE 115 CO 0.00 0.49 0.54 0.78 -0.00 0.00 0.00 178.31 180.11 3kra h GLY 116 N 0.91 1.35 1.78 2.40 0.00 -1.00 -1.45 103.07 107.07 3kra h GLY 116 Ca 0.36 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3kra h GLY 116 CO -0.13 0.56 -0.51 0.74 0.00 0.00 0.00 176.54 177.21 3kra h PHE 117 N 1.28 0.29 -0.18 5.60 0.04 -1.27 -1.94 116.94 120.75 3kra h PHE 117 Ca 0.33 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 3kra h PHE 117 Cb -0.02 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3kra h PHE 117 CO 0.01 0.70 0.11 1.49 -0.60 0.00 0.00 178.31 180.01 3kra h GLU 118 N 0.19 0.25 0.00 1.51 4.81 -0.25 -0.04 114.58 121.05 3kra h GLU 118 Ca 0.01 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kra h GLU 118 Cb 0.97 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3kra h GLU 118 CO 0.08 0.21 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.46 3kra h LEU 119 N 0.21 -0.12 0.03 1.64 3.38 -1.12 -0.03 115.31 119.29 3kra h LEU 119 Ca 0.06 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3kra h LEU 119 Cb 0.03 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3kra h LEU 119 CO -0.01 -0.07 -0.16 -0.07 0.09 0.00 0.00 178.44 178.22 3kra h LEU 120 N -0.08 -0.47 -1.03 1.67 3.38 -1.21 -1.97 115.31 115.60 3kra h LEU 120 Ca 0.02 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kra h LEU 120 Cb 0.10 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3kra h LEU 120 CO -0.05 -0.23 0.65 0.00 0.09 0.00 0.00 178.44 178.90 3kra h ALA 121 N 0.62 1.36 0.00 1.53 0.00 -0.79 -1.66 119.26 120.32 3kra h ALA 121 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kra h ALA 121 Cb 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kra h ALA 121 CO -0.14 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.06 3kra n GLY 122 N -1.38 -1.24 0.69 0.00 0.00 -0.04 -3.30 105.19 99.92 3kra n GLY 122 Ca 0.14 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3kra n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kra n SER 123 N -1.35 2.07 -4.67 1.61 3.41 -0.62 -4.91 113.62 109.17 3kra n SER 123 Ca 0.11 -1.75 -0.42 0.00 -0.26 0.00 0.00 58.87 56.55 3kra n SER 123 Cb 0.24 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3kra n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kra s VAL 124 N -1.78 3.08 -0.33 -3.33 1.01 -1.21 -4.95 120.40 112.89 3kra s VAL 124 Ca 0.34 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 3kra s VAL 124 Cb 0.19 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3kra s VAL 124 CO 0.29 -0.02 0.51 -0.62 0.00 0.00 0.00 175.10 175.26 3kra s ASP 125 N 3.70 6.34 0.24 3.32 -1.08 -1.26 -4.97 116.67 122.95 3kra s ASP 125 Ca 0.82 0.08 -0.06 0.00 -0.52 0.00 0.00 52.55 52.88 3kra s ASP 125 Cb -0.41 -2.27 0.41 0.00 -1.46 0.00 0.00 42.92 39.20 3kra s ASP 125 CO 0.37 -0.44 1.72 1.55 0.52 0.00 0.00 175.17 178.88 3kra h PRO 126 N 8.38 0.36 -0.62 4.34 0.13 -2.01 -0.18 132.00 142.40 3kra h PRO 126 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3kra h PRO 126 Cb 1.13 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3kra h PRO 126 CO 0.76 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 3kra n ALA 127 N -2.56 2.29 -3.92 -0.56 0.00 -1.26 -4.56 120.51 109.94 3kra n ALA 127 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 3kra n ALA 127 Cb 0.40 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.69 3kra n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kra s ARG 128 N -1.27 1.36 0.08 0.00 1.81 -0.08 -5.04 118.95 115.81 3kra s ARG 128 Ca 0.00 -1.38 -0.22 0.00 -1.72 0.00 0.00 55.73 52.41 3kra s ARG 128 Cb 0.00 -2.69 -0.08 0.00 -0.45 0.00 0.00 34.95 31.74 3kra s ARG 128 CO 0.00 -0.83 1.36 1.15 -0.68 0.00 0.00 175.30 176.30 3kra h THR 129 N 6.60 0.00 0.00 0.02 2.02 -1.83 -2.74 112.91 116.99 3kra h THR 129 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kra h THR 129 Cb 1.03 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3kra h THR 129 CO 0.47 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.83 3kra n ASP 130 N -4.46 0.00 0.18 4.18 8.00 -1.26 -4.32 116.55 118.87 3kra n ASP 130 Ca -0.03 -1.08 -0.13 0.00 0.71 0.00 0.00 54.79 54.26 3kra n ASP 130 Cb 0.23 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 3kra n ASP 130 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kra h ASP 131 N 0.00 -1.03 -0.89 -2.24 5.19 -1.80 -2.16 116.42 113.49 3kra h ASP 131 Ca 0.00 0.09 0.21 0.00 -0.62 0.00 0.00 57.03 56.71 3kra h ASP 131 Cb 0.00 0.35 -0.16 0.00 0.18 0.00 0.00 39.33 39.70 3kra h ASP 131 CO 0.00 -0.46 -0.08 -0.65 -3.12 0.00 0.00 179.24 174.93 3kra h PRO 132 N -0.67 0.03 -0.28 3.56 0.11 -1.81 0.15 132.00 133.09 3kra h PRO 132 Ca -0.03 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3kra h PRO 132 Cb 0.60 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3kra h PRO 132 CO -0.09 0.02 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.02 3kra h ASP 133 N 0.03 0.55 -0.02 -2.05 3.32 -1.84 -0.72 116.42 115.69 3kra h ASP 133 Ca 0.48 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 3kra h ASP 133 Cb 0.86 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.27 3kra h ASP 133 CO -0.86 0.80 -0.57 0.03 -1.72 0.00 0.00 179.24 176.92 3kra h ARG 134 N 0.48 0.43 -0.45 3.56 3.08 -0.16 -2.15 114.38 119.17 3kra h ARG 134 Ca 0.07 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.62 3kra h ARG 134 Cb 0.70 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 3kra h ARG 134 CO 0.05 1.09 -0.00 0.82 -1.07 0.00 0.00 179.97 180.86 3kra h ILE 135 N -0.06 1.23 -0.33 2.04 2.04 -0.83 -0.21 117.51 121.39 3kra h ILE 135 Ca -0.07 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3kra h ILE 135 Cb 1.27 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3kra h ILE 135 CO 0.11 0.34 0.05 0.25 0.00 0.00 0.00 178.15 178.90 3kra h LEU 136 N 0.69 0.52 -0.74 1.44 5.85 -1.17 0.77 115.31 122.67 3kra h LEU 136 Ca 0.14 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3kra h LEU 136 Cb 0.43 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3kra h LEU 136 CO 0.02 0.65 0.37 -0.09 -0.34 0.00 0.00 178.44 179.04 3kra h ARG 137 N 0.37 1.07 -0.35 1.25 2.43 -0.85 -2.06 114.38 116.24 3kra h ARG 137 Ca 0.10 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3kra h ARG 137 Cb 0.35 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3kra h ARG 137 CO 0.01 0.83 -0.20 0.28 -1.51 0.00 0.00 179.97 179.37 3kra h VAL 138 N 1.04 1.27 -0.69 0.20 2.07 -0.83 -1.59 116.25 117.72 3kra h VAL 138 Ca 0.26 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3kra h VAL 138 Cb 0.10 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3kra h VAL 138 CO -0.03 0.42 0.27 0.40 0.02 0.00 0.00 177.57 178.65 3kra h ILE 139 N 0.60 1.24 -0.46 4.57 2.04 -0.61 -0.87 117.51 124.02 3kra h ILE 139 Ca 0.09 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 3kra h ILE 139 Cb 0.68 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3kra h ILE 139 CO 0.05 0.30 -0.14 0.40 0.00 0.00 0.00 178.15 178.76 3kra h ILE 140 N 0.99 1.27 -0.13 -0.67 2.04 -1.10 -0.98 117.51 118.93 3kra h ILE 140 Ca 0.23 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3kra h ILE 140 Cb 0.20 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3kra h ILE 140 CO -0.02 0.44 0.06 -0.33 0.00 0.00 0.00 178.15 178.30 3kra h GLU 141 N 0.74 0.20 -0.25 2.37 4.39 -0.89 -1.58 114.58 119.57 3kra h GLU 141 Ca 0.11 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3kra h GLU 141 Cb 0.70 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3kra h GLU 141 CO 0.05 0.28 -0.00 0.82 -1.16 0.00 0.00 179.01 179.00 3kra h ILE 142 N 0.07 1.26 -0.44 3.13 2.04 -1.15 0.28 117.51 122.70 3kra h ILE 142 Ca 0.05 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3kra h ILE 142 Cb 0.15 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3kra h ILE 142 CO -0.00 0.28 0.12 0.77 0.00 0.00 0.00 178.15 179.32 3kra h SER 143 N 0.21 0.60 -0.27 1.72 4.64 -1.22 -0.32 113.55 118.91 3kra h SER 143 Ca 0.07 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3kra h SER 143 Cb 0.42 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3kra h SER 143 CO 0.01 0.59 -0.37 0.03 -0.87 0.00 0.00 176.83 176.23 3kra h ARG 144 N 0.64 0.73 -0.02 4.77 3.08 -1.06 -2.34 114.38 120.18 3kra h ARG 144 Ca 0.15 -0.42 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 3kra h ARG 144 Cb 0.22 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kra h ARG 144 CO -0.01 1.04 -0.26 0.00 -1.07 0.00 0.00 179.97 179.68 3kra h ALA 145 N 0.67 1.53 -0.33 0.04 0.00 -0.42 -2.03 119.26 118.72 3kra h ALA 145 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kra h ALA 145 Cb 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kra h ALA 145 CO 0.09 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3kra n GLY 146 N -0.75 1.03 1.33 0.00 0.00 -0.18 -0.30 105.19 106.32 3kra n GLY 146 Ca -0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3kra n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 147 N 1.29 1.06 0.44 -0.02 0.00 -0.76 -4.50 105.19 102.70 3kra n GLY 147 Ca 0.17 -2.03 0.25 0.00 0.00 0.00 0.00 46.02 44.41 3kra n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kra h PRO 148 N 0.00 0.00 -0.33 1.61 0.13 -1.88 0.16 132.00 131.69 3kra h PRO 148 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3kra h PRO 148 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 3kra h PRO 148 CO 0.12 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.28 3kra n GLU 149 N -4.14 2.23 0.00 0.86 1.02 -1.26 -3.36 120.64 115.99 3kra n GLU 149 Ca 0.15 -2.02 0.00 0.00 -0.02 0.00 0.00 57.16 55.27 3kra n GLU 149 Cb 0.84 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 3kra n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kra n GLY 150 N 1.03 1.33 0.33 0.62 0.00 0.04 -4.76 105.19 103.78 3kra n GLY 150 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3kra n GLY 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3kra h MET 151 N 0.00 0.68 -0.56 1.61 1.85 -0.65 -1.00 114.93 116.85 3kra h MET 151 Ca 0.00 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3kra h MET 151 Cb 0.00 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 3kra h MET 151 CO 0.00 0.45 0.33 0.82 -0.40 0.00 0.00 176.91 178.11 3kra h ILE 152 N 0.70 1.16 -0.72 1.77 2.04 -1.77 -0.55 117.51 120.13 3kra h ILE 152 Ca 0.53 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 3kra h ILE 152 Cb 0.78 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3kra h ILE 152 CO -0.38 0.17 0.25 0.28 0.00 0.00 0.00 178.15 178.47 3kra h SER 153 N 0.77 1.03 -0.19 1.72 0.02 -1.19 -0.42 113.55 115.30 3kra h SER 153 Ca 0.20 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3kra h SER 153 Cb -0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3kra h SER 153 CO -0.04 0.95 0.09 1.23 -1.14 0.00 0.00 176.83 177.92 3kra h GLY 154 N 1.06 0.28 0.99 -3.77 0.00 -1.11 -0.71 103.07 99.81 3kra h GLY 154 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3kra h GLY 154 CO -0.01 0.13 0.20 1.41 0.00 0.00 0.00 176.54 178.27 3kra h LEU 155 N 0.18 0.34 0.02 3.11 3.38 -0.99 0.18 115.31 121.53 3kra h LEU 155 Ca 0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kra h LEU 155 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kra h LEU 155 CO -0.01 0.25 -0.11 -0.74 0.09 0.00 0.00 178.44 177.92 3kra h HIS 156 N 0.41 -0.28 0.00 1.13 2.76 -0.99 -2.75 115.15 115.43 3kra h HIS 156 Ca 0.11 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3kra h HIS 156 Cb -0.04 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 3kra h HIS 156 CO -0.06 -0.17 -0.36 0.00 -1.30 0.00 0.00 177.93 176.04 3kra h ARG 157 N -0.20 0.00 -0.55 5.26 2.47 -0.87 -2.76 114.38 117.74 3kra h ARG 157 Ca 0.04 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.83 3kra h ARG 157 Cb 0.24 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 3kra h ARG 157 CO -0.10 0.36 0.37 1.49 0.56 0.00 0.00 179.97 182.66 3kra h GLU 158 N 0.00 0.43 0.00 0.04 4.81 -0.35 -1.17 114.58 118.34 3kra h GLU 158 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kra h GLU 158 Cb 0.66 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3kra h GLU 158 CO 0.05 0.28 0.00 0.93 -0.73 0.00 0.00 179.01 179.54 3kra h GLU 159 N 0.44 0.00 -0.00 1.92 5.08 -1.33 -1.46 114.58 119.22 3kra h GLU 159 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kra h GLU 159 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kra h GLU 159 CO -0.07 0.00 -0.53 0.39 -1.00 0.00 0.00 179.01 177.80 3kra n GLU 160 N -2.47 0.05 -2.02 2.33 1.02 -0.44 -4.61 120.64 114.50 3kra n GLU 160 Ca -0.01 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 3kra n GLU 160 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3kra n GLU 160 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kra s ILE 161 N -2.97 2.80 -0.19 -3.67 1.01 -0.55 -5.00 121.20 112.63 3kra s ILE 161 Ca 0.12 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.38 3kra s ILE 161 Cb 0.17 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 39.29 3kra s ILE 161 CO 0.70 0.06 -0.14 -0.69 0.00 0.00 0.00 174.94 174.88 3kra s VAL 162 N 0.79 1.82 0.08 2.92 1.01 -1.26 -5.05 120.40 120.71 3kra s VAL 162 Ca 0.65 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 3kra s VAL 162 Cb -0.41 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 3kra s VAL 162 CO 0.34 0.31 0.33 -0.90 0.00 0.00 0.00 175.10 175.18 3kra n ASP 163 N 4.65 -0.49 -3.81 3.32 3.85 -1.26 -1.84 116.55 120.96 3kra n ASP 163 Ca -0.17 0.58 -0.25 0.00 -0.71 0.00 0.00 54.79 54.24 3kra n ASP 163 Cb 0.48 -0.48 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 3kra n ASP 163 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kra n GLY 164 N 0.96 -0.25 0.00 6.12 0.00 -1.26 -4.56 105.19 106.19 3kra n GLY 164 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3kra n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kra n ASN 165 N -1.56 0.00 -4.71 1.61 2.85 -0.77 -5.11 115.26 107.58 3kra n ASN 165 Ca -0.17 -0.20 -0.35 0.00 -0.11 0.00 0.00 54.58 53.76 3kra n ASN 165 Cb 0.43 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.36 3kra n ASN 165 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3kra s THR 166 N 0.00 4.74 0.68 -0.44 2.01 -1.02 -4.89 115.64 116.72 3kra s THR 166 Ca 0.00 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 3kra s THR 166 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.46 3kra s THR 166 CO 0.00 0.56 1.09 -0.94 -0.69 0.00 0.00 174.62 174.64 3kra s SER 167 N -0.52 5.12 0.31 3.53 1.04 -1.26 -4.87 113.70 117.05 3kra s SER 167 Ca 0.10 1.86 0.01 0.00 0.48 0.00 0.00 55.95 58.40 3kra s SER 167 Cb -0.12 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 63.96 3kra s SER 167 CO 0.02 -1.62 1.87 -0.07 0.98 0.00 0.00 173.24 174.43 3kra h LEU 168 N -0.29 0.71 -0.91 2.42 3.38 -1.98 -1.59 115.31 117.04 3kra h LEU 168 Ca -0.45 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.42 3kra h LEU 168 Cb 1.23 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3kra h LEU 168 CO 0.54 0.67 0.59 0.44 0.09 0.00 0.00 178.44 180.78 3kra h ASP 169 N 0.75 1.06 -0.10 -0.43 3.32 -1.99 0.23 116.42 119.26 3kra h ASP 169 Ca 0.17 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3kra h ASP 169 Cb 0.22 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3kra h ASP 169 CO -0.01 0.78 -0.09 0.15 -1.72 0.00 0.00 179.24 178.34 3kra h PHE 170 N 1.24 0.28 -0.76 4.55 3.57 -1.83 -1.93 116.94 122.08 3kra h PHE 170 Ca 0.33 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3kra h PHE 170 Cb -0.12 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3kra h PHE 170 CO -0.01 0.66 0.45 0.82 -2.23 0.00 0.00 178.31 178.00 3kra h ILE 171 N -0.17 1.22 -0.80 1.41 2.04 -1.17 -1.13 117.51 118.90 3kra h ILE 171 Ca 0.02 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3kra h ILE 171 Cb 0.61 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3kra h ILE 171 CO 0.02 0.23 0.49 -0.08 0.00 0.00 0.00 178.15 178.81 3kra h GLU 172 N 1.04 1.08 -0.25 2.37 4.81 -0.52 -0.58 114.58 122.53 3kra h GLU 172 Ca 0.27 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3kra h GLU 172 Cb -0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3kra h GLU 172 CO -0.05 0.75 0.02 -0.92 -0.73 0.00 0.00 179.01 178.08 3kra h TYR 173 N 1.10 0.46 -0.65 0.92 3.20 -0.65 0.20 116.97 121.55 3kra h TYR 173 Ca 0.29 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 62.18 3kra h TYR 173 Cb -0.06 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.02 3kra h TYR 173 CO 0.00 0.57 0.28 0.28 -1.64 0.00 0.00 178.16 177.65 3kra h VAL 174 N 0.21 0.80 -0.67 1.81 2.07 -0.82 -1.11 116.25 118.54 3kra h VAL 174 Ca 0.07 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3kra h VAL 174 Cb 0.37 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3kra h VAL 174 CO 0.01 0.09 0.29 0.00 0.02 0.00 0.00 177.57 177.97 3kra h LYS 176 N 0.96 0.61 -0.18 0.00 3.64 -0.30 0.93 116.57 122.22 3kra h LYS 176 Ca 0.23 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 3kra h LYS 176 Cb 0.16 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3kra h LYS 176 CO -0.02 0.58 -0.55 0.87 -2.27 0.00 0.00 179.45 178.06 3kra h LYS 177 N 0.50 0.69 0.08 1.90 1.79 -0.92 -0.54 116.57 120.08 3kra h LYS 177 Ca 0.13 -0.50 -0.28 0.00 -2.18 0.00 0.00 60.65 57.82 3kra h LYS 177 Cb 0.21 0.08 0.02 0.00 -1.58 0.00 0.00 32.23 30.96 3kra h LYS 177 CO -0.01 1.12 -1.16 -0.22 -1.08 0.00 0.00 179.45 178.10 3kra h LYS 178 N 0.39 0.57 0.00 3.15 3.64 -0.40 -3.21 116.57 120.72 3kra h LYS 178 Ca -0.02 -0.72 -0.13 0.00 -1.27 0.00 0.00 60.65 58.51 3kra h LYS 178 Cb 1.17 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 3kra h LYS 178 CO 0.12 1.31 -1.43 0.66 -2.27 0.00 0.00 179.45 177.84 3kra n TYR 179 N -3.77 0.00 -0.33 1.91 4.02 0.16 -4.68 117.16 114.48 3kra n TYR 179 Ca -0.12 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.82 3kra n TYR 179 Cb 0.95 -0.28 0.20 0.00 -0.02 0.00 0.00 39.34 40.19 3kra n TYR 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kra h GLY 180 N -0.23 1.47 1.44 2.72 0.00 -0.33 -1.13 103.07 107.01 3kra h GLY 180 Ca -0.19 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3kra h GLY 180 CO -0.11 0.17 -0.23 0.83 0.00 0.00 0.00 176.54 177.20 3kra h GLU 181 N 0.93 0.64 -0.36 4.80 4.39 -1.32 0.13 114.58 123.79 3kra h GLU 181 Ca 0.44 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 3kra h GLU 181 Cb 0.39 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3kra h GLU 181 CO -0.25 0.82 -0.23 0.52 -1.16 0.00 0.00 179.01 178.72 3kra h MET 182 N 0.57 0.79 -0.55 2.33 2.86 -1.68 0.08 114.93 119.33 3kra h MET 182 Ca 0.08 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.28 3kra h MET 182 Cb 0.70 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3kra h MET 182 CO 0.05 0.99 0.06 0.45 1.06 0.00 0.00 176.91 179.52 3kra h HIS 183 N 0.57 1.00 -0.93 -0.22 3.86 -0.81 -0.59 115.15 118.03 3kra h HIS 183 Ca 0.07 -0.15 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3kra h HIS 183 Cb 0.79 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 3kra h HIS 183 CO 0.06 0.90 0.61 0.00 0.86 0.00 0.00 177.93 180.35 3kra h ALA 184 N 0.98 1.23 -0.45 2.45 0.00 -0.74 -1.49 119.26 121.25 3kra h ALA 184 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kra h ALA 184 Cb 0.46 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kra h ALA 184 CO 0.02 0.48 0.14 0.00 0.00 0.00 0.00 179.25 179.89 3kra h GLY 186 N 0.58 0.65 0.93 0.00 0.00 -0.51 0.19 103.07 104.92 3kra h GLY 186 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3kra h GLY 186 CO -0.01 0.39 0.10 0.00 0.00 0.00 0.00 176.54 177.03 3kra h ALA 187 N 0.92 0.25 -0.61 3.60 0.00 -1.24 0.26 119.26 122.46 3kra h ALA 187 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kra h ALA 187 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3kra h ALA 187 CO 0.00 -0.20 0.38 0.00 0.00 0.00 0.00 179.25 179.43 3kra h ALA 188 N 0.98 0.77 -0.49 0.00 0.00 -1.09 -0.01 119.26 119.42 3kra h ALA 188 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kra h ALA 188 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kra h ALA 188 CO -0.01 0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 3kra h GLY 190 N 0.98 1.16 0.88 0.00 0.00 -0.33 0.12 103.07 105.88 3kra h GLY 190 Ca 0.14 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3kra h GLY 190 CO 0.03 0.81 -0.17 0.00 0.00 0.00 0.00 176.54 177.21 3kra h ALA 191 N 0.97 -0.49 -0.42 3.60 0.00 -0.67 -1.80 119.26 120.45 3kra h ALA 191 Ca 0.16 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3kra h ALA 191 Cb 0.61 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3kra h ALA 191 CO 0.04 -0.71 -0.20 0.82 0.00 0.00 0.00 179.25 179.20 3kra h ILE 192 N -0.61 0.41 0.00 0.00 2.04 -0.57 -0.56 117.51 118.21 3kra h ILE 192 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kra h ILE 192 Cb 0.45 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3kra h ILE 192 CO 0.08 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.41 3kra n LEU 193 N -5.38 0.53 -1.32 1.44 4.77 0.40 -2.21 117.00 115.24 3kra n LEU 193 Ca 0.03 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 3kra n LEU 193 Cb 0.29 -0.57 0.31 0.00 -2.33 0.00 0.00 43.42 41.12 3kra n LEU 193 CO 0.11 -0.52 0.77 0.61 -1.33 0.00 0.00 177.39 177.02 3kra n GLY 194 N -0.09 2.49 2.10 -0.72 0.00 -0.29 -4.85 105.19 103.82 3kra n GLY 194 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kra n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 195 N 1.60 0.82 3.41 -0.02 0.00 -0.94 -3.75 105.19 106.32 3kra n GLY 195 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3kra n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kra n ALA 196 N 0.27 -2.68 -1.98 4.61 0.00 -0.77 -4.99 120.51 114.97 3kra n ALA 196 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 3kra n ALA 196 Cb 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 19.45 17.70 3kra n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kra s ALA 197 N -2.39 3.85 0.64 0.00 0.00 -1.26 -4.80 121.76 117.80 3kra s ALA 197 Ca 0.57 -1.29 0.36 0.00 0.00 0.00 0.00 51.96 51.60 3kra s ALA 197 Cb -0.20 -2.11 2.01 0.00 0.00 0.00 0.00 23.12 22.81 3kra s ALA 197 CO 0.67 -0.77 2.19 0.93 0.00 0.00 0.00 175.76 178.78 3kra h GLU 198 N 0.04 0.00 0.27 0.00 4.39 -1.99 -1.84 114.58 115.45 3kra h GLU 198 Ca -0.42 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3kra h GLU 198 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3kra h GLU 198 CO 0.53 0.00 -0.13 0.93 -1.16 0.00 0.00 179.01 179.18 3kra h GLU 199 N 0.00 -0.35 -0.12 2.33 3.07 -2.00 -2.33 114.58 115.18 3kra h GLU 199 Ca 0.02 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 3kra h GLU 199 Cb 0.27 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3kra h GLU 199 CO -0.00 0.01 -0.37 0.93 -1.40 0.00 0.00 179.01 178.17 3kra h GLU 200 N -0.84 0.25 0.21 2.33 5.08 -1.74 -2.35 114.58 117.51 3kra h GLU 200 Ca -0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3kra h GLU 200 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kra h GLU 200 CO 0.06 0.59 -0.10 0.82 -1.00 0.00 0.00 179.01 179.38 3kra h ILE 201 N 0.22 0.84 -0.41 3.13 2.04 -1.42 0.21 117.51 122.12 3kra h ILE 201 Ca 0.02 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 3kra h ILE 201 Cb 0.76 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3kra h ILE 201 CO 0.06 0.06 -0.00 -0.61 0.00 0.00 0.00 178.15 177.66 3kra h GLN 202 N -0.42 0.65 -0.29 2.37 5.75 -1.36 0.17 115.11 121.99 3kra h GLN 202 Ca -0.03 -0.16 -0.18 0.00 -0.15 0.00 0.00 58.65 58.13 3kra h GLN 202 Cb 0.32 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3kra h GLN 202 CO 0.05 0.68 -0.54 0.87 -2.65 0.00 0.00 178.83 177.23 3kra h LYS 203 N 0.62 0.87 -0.01 1.69 1.79 -1.27 -1.61 116.57 118.65 3kra h LYS 203 Ca 0.13 -0.55 -0.10 0.00 -2.18 0.00 0.00 60.65 57.95 3kra h LYS 203 Cb 0.39 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3kra h LYS 203 CO 0.01 1.18 -0.47 -0.07 -1.08 0.00 0.00 179.45 179.03 3kra h LEU 204 N 0.67 0.01 0.27 2.94 3.38 -0.72 -0.87 115.31 120.99 3kra h LEU 204 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kra h LEU 204 Cb 1.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kra h LEU 204 CO 0.12 0.48 -0.13 -0.09 0.09 0.00 0.00 178.44 178.91 3kra h ARG 205 N 0.01 -0.34 -0.95 1.13 2.43 -0.82 -0.26 114.38 115.58 3kra h ARG 205 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3kra h ARG 205 Cb 0.84 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.40 3kra h ARG 205 CO 0.06 -0.05 0.62 -0.91 -1.51 0.00 0.00 179.97 178.18 3kra h ASN 206 N -0.64 0.99 0.28 -3.80 4.21 -1.16 -0.35 115.58 115.11 3kra h ASN 206 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3kra h ASN 206 Cb 0.46 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 3kra h ASN 206 CO 0.06 0.65 -0.28 0.15 -1.29 0.00 0.00 177.43 176.71 3kra h PHE 207 N 1.13 -0.76 -0.66 1.19 3.57 -0.88 -1.84 116.94 118.69 3kra h PHE 207 Ca 0.40 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.94 3kra h PHE 207 Cb 0.13 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3kra h PHE 207 CO -0.00 -0.41 0.43 0.78 -2.23 0.00 0.00 178.31 176.88 3kra h GLY 208 N -0.60 0.88 0.99 2.40 0.00 -0.20 0.18 103.07 106.73 3kra h GLY 208 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3kra h GLY 208 CO -0.06 0.26 0.02 -2.00 0.00 0.00 0.00 176.54 174.76 3kra h LEU 209 N 0.77 0.04 -0.28 3.11 5.85 -0.72 0.45 115.31 124.53 3kra h LEU 209 Ca 0.26 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 3kra h LEU 209 Cb 0.09 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3kra h LEU 209 CO -0.07 0.03 -0.30 1.88 -0.34 0.00 0.00 178.44 179.63 3kra h TYR 210 N 0.05 0.84 -0.46 1.25 0.99 -1.03 -1.01 116.97 117.60 3kra h TYR 210 Ca 0.02 -0.26 -0.12 0.00 2.00 0.00 0.00 58.73 60.37 3kra h TYR 210 Cb -0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 3kra h TYR 210 CO -0.08 1.01 -0.17 0.37 -0.00 0.00 0.00 178.16 179.29 3kra h GLN 211 N 0.44 0.92 -0.69 4.88 -0.00 -0.88 -1.41 115.11 118.36 3kra h GLN 211 Ca 0.04 -0.38 -0.07 0.00 -0.00 0.00 0.00 58.65 58.25 3kra h GLN 211 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.29 3kra h GLN 211 CO 0.07 1.03 0.17 0.78 0.00 0.00 0.00 178.83 180.89 3kra h GLY 212 N 0.76 1.19 0.96 2.39 0.00 -0.11 0.17 103.07 108.43 3kra h GLY 212 Ca 0.11 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3kra h GLY 212 CO 0.06 0.70 0.21 -0.84 0.00 0.00 0.00 176.54 176.66 3kra h THR 213 N 1.04 1.19 -0.52 4.70 2.02 -0.98 -0.79 112.91 119.58 3kra h THR 213 Ca 0.22 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3kra h THR 213 Cb 0.37 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3kra h THR 213 CO 0.00 0.22 0.15 0.25 0.37 0.00 0.00 175.52 176.51 3kra h LEU 214 N 0.60 0.77 -0.88 2.58 5.85 -0.99 -0.55 115.31 122.69 3kra h LEU 214 Ca 0.16 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kra h LEU 214 Cb 0.15 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3kra h LEU 214 CO -0.02 0.78 0.56 -0.09 -0.34 0.00 0.00 178.44 179.34 3kra h ARG 215 N 0.72 1.05 -0.48 1.25 9.65 -0.43 -0.06 114.38 126.08 3kra h ARG 215 Ca 0.17 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.88 3kra h ARG 215 Cb 0.30 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3kra h ARG 215 CO -0.00 0.69 -0.11 0.78 2.80 0.00 0.00 179.97 184.13 3kra h GLY 216 N 1.08 0.96 0.91 2.80 0.00 -0.62 -2.51 103.07 105.68 3kra h GLY 216 Ca 0.36 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kra h GLY 216 CO -0.13 0.69 0.05 -0.33 0.00 0.00 0.00 176.54 176.81 3kra h MET 217 N 0.80 0.14 -0.98 4.80 2.86 -0.35 -1.39 114.93 120.80 3kra h MET 217 Ca 0.13 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.92 3kra h MET 217 Cb 0.63 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.17 3kra h MET 217 CO 0.04 0.20 0.61 0.52 1.06 0.00 0.00 176.91 179.35 3kra h MET 218 N 0.04 0.75 0.00 1.72 2.07 -0.92 0.12 114.93 118.71 3kra h MET 218 Ca 0.03 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 3kra h MET 218 Cb 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 3kra h MET 218 CO -0.00 0.50 -0.02 0.39 1.07 0.00 0.00 176.91 178.84 3kra n GLU 219 N -4.67 0.08 0.00 1.72 1.02 -0.96 -2.86 120.64 114.97 3kra n GLU 219 Ca 0.21 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 3kra n GLU 219 Cb 0.52 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 3kra n GLU 219 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3kra n MET 220 N -1.74 0.75 0.00 3.49 2.81 0.05 -4.10 117.12 118.39 3kra n MET 220 Ca 0.06 -0.17 0.10 0.00 -1.81 0.00 0.00 57.70 55.89 3kra n MET 220 Cb 0.37 -1.41 0.61 0.00 -0.71 0.00 0.00 33.22 32.07 3kra n MET 220 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3kra n LYS 221 N -1.20 0.58 -0.31 0.03 2.85 0.18 -1.93 118.16 118.37 3kra n LYS 221 Ca 0.05 0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.44 3kra n LYS 221 Cb 0.32 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.49 3kra n LYS 221 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3kra n ASN 222 N -1.06 3.76 0.00 -5.58 3.02 -1.26 -3.96 115.26 110.18 3kra n ASN 222 Ca 0.15 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3kra n ASN 222 Cb 0.09 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3kra n ASN 222 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kra n SER 223 N 1.54 0.00 -2.72 6.41 7.64 -0.81 -4.89 113.62 120.79 3kra n SER 223 Ca 0.22 -1.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.02 3kra n SER 223 Cb 0.61 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.91 3kra n SER 223 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3kra n HIS 224 N 0.00 -2.10 -1.52 1.43 8.25 -1.09 -4.54 115.22 115.66 3kra n HIS 224 Ca 0.00 -2.12 -0.35 0.00 -0.26 0.00 0.00 57.72 54.99 3kra n HIS 224 Cb 0.39 1.34 -0.12 0.00 1.12 0.00 0.00 29.99 32.72 3kra n HIS 224 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kra n GLN 225 N -0.32 0.36 0.00 -0.41 -0.06 -1.25 -3.72 117.38 111.98 3kra n GLN 225 Ca 0.01 -0.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 3kra n GLN 225 Cb 0.81 -2.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 3kra n GLN 225 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3kra n LEU 226 N 12.18 0.00 -4.48 1.69 7.94 -1.26 -5.08 117.00 127.98 3kra n LEU 226 Ca 0.56 -0.06 -0.17 0.00 -1.11 0.00 0.00 56.01 55.23 3kra n LEU 226 Cb 0.23 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.03 3kra n LEU 226 CO 0.86 0.18 1.66 0.00 -1.11 0.00 0.00 177.39 178.98 3kra n ILE 227 N 0.00 0.00 -2.56 1.96 0.13 -1.24 -4.85 119.36 112.80 3kra n ILE 227 Ca 0.00 -0.48 -0.37 0.00 -1.10 0.00 0.00 62.75 60.80 3kra n ILE 227 Cb 0.14 -0.76 -0.04 0.00 -0.84 0.00 0.00 39.64 38.14 3kra n ILE 227 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3kra s ASP 228 N 4.05 6.93 0.52 9.51 -1.08 -1.26 -4.92 116.67 130.42 3kra s ASP 228 Ca 1.06 2.06 0.34 0.00 -0.52 0.00 0.00 52.55 55.50 3kra s ASP 228 Cb -0.51 -2.59 1.55 0.00 -1.46 0.00 0.00 42.92 39.92 3kra s ASP 228 CO 0.34 -0.37 2.02 -0.33 0.52 0.00 0.00 175.17 177.35 3kra h GLU 229 N 2.85 0.00 0.78 4.34 4.39 -1.99 -2.94 114.58 122.01 3kra h GLU 229 Ca -0.48 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 3kra h GLU 229 Cb 1.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3kra h GLU 229 CO 0.64 0.00 -0.45 -0.91 -1.16 0.00 0.00 179.01 177.12 3kra h ASN 230 N 0.00 -1.13 0.12 1.42 2.35 -1.97 0.58 115.58 116.95 3kra h ASN 230 Ca 0.00 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3kra h ASN 230 Cb 0.33 0.32 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3kra h ASN 230 CO 0.00 -0.71 -0.41 0.40 -1.65 0.00 0.00 177.43 175.06 3kra h ILE 231 N -1.15 0.17 -0.23 2.81 2.04 -1.92 0.69 117.51 119.92 3kra h ILE 231 Ca -0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3kra h ILE 231 Cb 0.91 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3kra h ILE 231 CO 0.13 0.00 -0.41 0.40 0.00 0.00 0.00 178.15 178.26 3kra h ILE 232 N -0.65 0.15 -0.85 -0.67 2.04 -1.49 0.69 117.51 116.73 3kra h ILE 232 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 3kra h ILE 232 Cb 0.67 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3kra h ILE 232 CO -0.24 0.00 0.56 1.23 0.00 0.00 0.00 178.15 179.70 3kra h GLY 233 N -0.43 1.22 0.96 5.37 0.00 0.62 0.60 103.07 111.41 3kra h GLY 233 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3kra h GLY 233 CO -0.45 0.34 -0.09 0.50 0.00 0.00 0.00 176.54 176.83 3kra h LYS 234 N 1.03 -0.25 -0.28 4.80 1.57 0.20 -0.31 116.57 123.33 3kra h LYS 234 Ca 0.35 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 3kra h LYS 234 Cb 0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3kra h LYS 234 CO -0.11 -0.13 0.08 -0.07 -0.57 0.00 0.00 179.45 178.65 3kra h LEU 235 N -0.30 0.42 -0.25 2.94 3.38 -0.66 -0.78 115.31 120.07 3kra h LEU 235 Ca -0.03 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3kra h LEU 235 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3kra h LEU 235 CO 0.04 0.53 -0.03 0.50 0.09 0.00 0.00 178.44 179.58 3kra h LYS 236 N 0.29 0.04 -0.07 1.13 3.64 -0.85 0.19 116.57 120.94 3kra h LYS 236 Ca 0.09 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3kra h LYS 236 Cb 0.27 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3kra h LYS 236 CO -0.00 0.02 -0.09 0.93 -2.27 0.00 0.00 179.45 178.04 3kra h GLU 237 N 0.04 -0.12 -0.96 1.90 5.08 -0.87 -1.63 114.58 118.01 3kra h GLU 237 Ca 0.12 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 3kra h GLU 237 Cb 0.17 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 3kra h GLU 237 CO -0.23 -0.08 0.61 -0.07 -1.00 0.00 0.00 179.01 178.25 3kra h LEU 238 N -0.12 0.81 0.34 1.33 3.38 -0.47 -2.11 115.31 118.48 3kra h LEU 238 Ca 0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kra h LEU 238 Cb 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kra h LEU 238 CO -0.14 0.41 -0.16 0.00 0.09 0.00 0.00 178.44 178.63 3kra h ALA 239 N 1.57 -0.46 -0.89 1.53 0.00 -0.08 -3.26 119.26 117.68 3kra h ALA 239 Ca 0.49 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.35 3kra h ALA 239 Cb 0.63 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3kra h ALA 239 CO -0.26 -0.53 0.57 -0.07 0.00 0.00 0.00 179.25 178.96 3kra h LEU 240 N -0.91 0.66 -2.12 0.00 3.38 -1.18 -0.07 115.31 115.07 3kra h LEU 240 Ca -0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kra h LEU 240 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kra h LEU 240 CO 0.08 0.34 0.11 -0.33 0.09 0.00 0.00 178.44 178.72 3kra h GLU 241 N 0.70 0.00 0.00 1.13 4.39 -1.44 0.47 114.58 119.83 3kra h GLU 241 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3kra h GLU 241 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3kra h GLU 241 CO -0.20 0.00 -0.33 0.93 -1.16 0.00 0.00 179.01 178.24 3kra h GLU 242 N 0.00 0.00 -0.01 2.33 4.39 -1.04 -3.27 114.58 116.98 3kra h GLU 242 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3kra h GLU 242 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3kra h GLU 242 CO -0.00 0.00 -0.12 1.28 -1.16 0.00 0.00 179.01 179.01 3kra n LEU 243 N -2.78 0.84 -4.60 1.33 4.77 0.15 -4.76 117.00 111.96 3kra n LEU 243 Ca 0.03 -0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 3kra n LEU 243 Cb 0.51 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3kra n LEU 243 CO 0.35 0.15 1.56 -0.83 -1.33 0.00 0.00 177.39 177.30 3kra s GLY 244 N -2.33 0.75 0.00 -0.72 0.00 -1.17 -3.16 107.32 100.69 3kra s GLY 244 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3kra s GLY 244 CO 0.45 3.32 0.00 0.61 0.00 0.00 0.00 173.10 177.47 3kra n GLY 245 N 5.46 1.19 0.00 0.20 0.00 -1.26 -5.04 105.19 105.73 3kra n GLY 245 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3kra n GLY 245 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kra n PHE 246 N 0.00 0.00 0.00 1.61 3.72 -1.19 -5.14 117.46 116.46 3kra n PHE 246 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kra n PHE 246 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3kra n PHE 246 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kra n HIS 247 N -0.83 0.00 0.00 1.38 8.25 -1.26 -4.57 115.22 118.19 3kra n HIS 247 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kra n HIS 247 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kra n HIS 247 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kra n GLY 248 N 0.00 1.37 0.28 -1.41 0.00 -1.26 -4.45 105.19 99.73 3kra n GLY 248 Ca 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 3kra n GLY 248 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kra h LYS 249 N 0.00 -0.23 -0.30 1.61 3.64 -2.00 -0.23 116.57 119.06 3kra h LYS 249 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kra h LYS 249 Cb 0.00 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3kra h LYS 249 CO 0.00 -0.15 0.15 -0.91 -2.27 0.00 0.00 179.45 176.26 3kra h ASN 250 N -0.24 0.40 0.38 4.20 -0.26 -1.93 -2.85 115.58 115.28 3kra h ASN 250 Ca 0.14 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 3kra h ASN 250 Cb 0.47 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 3kra h ASN 250 CO -0.41 0.41 -0.17 0.00 -1.06 0.00 0.00 177.43 176.20 3kra h ALA 251 N 1.01 1.34 -0.04 -0.83 0.00 -1.70 -2.14 119.26 116.90 3kra h ALA 251 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kra h ALA 251 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kra h ALA 251 CO -0.01 0.21 -0.00 1.49 0.00 0.00 0.00 179.25 180.94 3kra h GLU 252 N 0.00 0.07 0.21 0.00 4.57 -0.82 -2.01 114.58 116.60 3kra h GLU 252 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3kra h GLU 252 Cb 0.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kra h GLU 252 CO 0.02 0.38 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.99 3kra h LEU 253 N -0.25 -0.47 -0.50 1.64 3.38 -1.30 -2.05 115.31 115.76 3kra h LEU 253 Ca 0.01 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3kra h LEU 253 Cb 0.36 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 3kra h LEU 253 CO 0.00 -0.27 -0.13 -0.03 0.09 0.00 0.00 178.44 178.10 3kra h MET 254 N -0.40 -0.01 -0.54 1.13 4.05 -1.41 0.85 114.93 118.60 3kra h MET 254 Ca -0.01 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.49 3kra h MET 254 Cb 0.37 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 3kra h MET 254 CO -0.03 -0.01 0.36 1.03 0.23 0.00 0.00 176.91 178.50 3kra h SER 255 N -0.01 0.35 0.94 1.39 0.87 -1.12 -1.05 113.55 114.92 3kra h SER 255 Ca 0.24 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3kra h SER 255 Cb 0.38 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3kra h SER 255 CO -0.52 0.22 -0.16 0.77 -0.53 0.00 0.00 176.83 176.61 3kra h SER 256 N 0.40 0.00 -1.01 6.23 4.64 -0.10 -2.60 113.55 121.11 3kra h SER 256 Ca 0.24 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.67 3kra h SER 256 Cb 0.43 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.44 3kra h SER 256 CO -0.06 0.16 0.64 0.25 -0.87 0.00 0.00 176.83 176.94 3kra h LEU 257 N 0.00 0.95 0.15 5.97 5.85 -0.98 -3.06 115.31 124.20 3kra h LEU 257 Ca -0.00 0.04 -0.35 0.00 0.84 0.00 0.00 57.88 58.41 3kra h LEU 257 Cb 0.67 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3kra h LEU 257 CO 0.02 0.52 -1.82 0.58 -0.34 0.00 0.00 178.44 177.40 3kra h VAL 258 N 1.03 0.84 -3.68 1.05 2.07 -1.67 -3.44 116.25 112.45 3kra h VAL 258 Ca 0.49 -2.48 -0.64 0.00 0.82 0.00 0.00 66.70 64.89 3kra h VAL 258 Cb 0.43 2.66 -0.38 0.00 -1.52 0.00 0.00 31.29 32.48 3kra h VAL 258 CO -0.25 0.86 -0.77 0.00 0.02 0.00 0.00 177.57 177.43 3kra s ALA 259 N -2.58 2.33 0.27 1.67 0.00 -1.00 -5.00 121.76 117.45 3kra s ALA 259 Ca -0.17 -1.77 -0.31 0.00 0.00 0.00 0.00 51.96 49.71 3kra s ALA 259 Cb 0.06 -1.62 -0.12 0.00 0.00 0.00 0.00 23.12 21.44 3kra s ALA 259 CO 0.82 -1.34 1.58 0.39 0.00 0.00 0.00 175.76 177.21 3kra n GLU 260 N 4.52 2.58 -1.48 0.00 -0.58 -1.21 -3.97 120.64 120.48 3kra n GLU 260 Ca -0.08 0.92 -0.32 0.00 -0.42 0.00 0.00 57.16 57.25 3kra n GLU 260 Cb 0.43 -2.69 0.07 0.00 -0.57 0.00 0.00 31.44 28.69 3kra n GLU 260 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3kra s PRO 261 N -0.27 2.44 0.16 3.49 0.04 -1.26 -4.92 135.00 134.68 3kra s PRO 261 Ca 0.66 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 3kra s PRO 261 Cb -0.53 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 3kra s PRO 261 CO 0.47 -1.53 1.80 -1.13 0.04 0.00 0.00 177.00 176.65 3kra n SER 262 N -2.95 4.06 -3.94 6.66 3.41 -1.26 -4.99 113.62 114.61 3kra n SER 262 Ca 0.10 1.02 -0.15 0.00 -0.26 0.00 0.00 58.87 59.58 3kra n SER 262 Cb 0.52 -1.56 -0.14 0.00 -0.26 0.00 0.00 64.21 62.77 3kra n SER 262 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kra s LEU 263 N 2.09 2.01 0.30 1.04 1.43 -1.26 -5.03 118.68 119.26 3kra s LEU 263 Ca 0.79 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 3kra s LEU 263 Cb -0.48 -0.20 0.59 0.00 0.03 0.00 0.00 46.19 46.12 3kra s LEU 263 CO 0.35 0.05 1.87 0.22 0.23 0.00 0.00 176.35 179.07 3kra h TYR 264 N 6.05 1.06 -0.67 0.29 3.20 -2.00 -2.76 116.97 122.13 3kra h TYR 264 Ca -0.27 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.70 3kra h TYR 264 Cb 1.20 -0.34 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 3kra h TYR 264 CO 0.41 0.47 -0.56 0.00 -1.64 0.00 0.00 178.16 176.83 3kra h ALA 265 N 1.54 -0.66 -0.10 1.82 0.00 -1.99 0.14 119.26 120.01 3kra h ALA 265 Ca 0.45 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.43 3kra h ALA 265 Cb 0.42 1.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 3kra h ALA 265 CO -0.21 -1.01 -0.30 0.00 0.00 0.00 0.00 179.25 177.74 3kra h ALA 266 N 0.23 -0.67 -0.26 0.00 0.00 -1.91 -1.97 119.26 114.68 3kra h ALA 266 Ca 0.12 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3kra h ALA 266 Cb 0.52 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3kra h ALA 266 CO -0.75 -0.78 -0.22 0.45 0.00 0.00 0.00 179.25 177.95 3kra h HIS 267 N -0.30 -0.58 -0.61 0.00 -0.00 -1.50 -2.25 115.15 109.91 3kra h HIS 267 Ca 0.02 0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.55 3kra h HIS 267 Cb 0.36 0.29 -0.11 0.00 -0.00 0.00 0.00 27.41 27.96 3kra h HIS 267 CO -0.54 -0.30 -0.07 1.25 -0.00 0.00 0.00 177.93 178.27 3kra h HIS 268 N -0.21 -0.17 0.17 2.45 2.76 -0.57 0.38 115.15 119.95 3kra h HIS 268 Ca 0.14 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3kra h HIS 268 Cb 0.43 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 3kra h HIS 268 CO -0.39 -0.21 -0.21 1.25 -1.30 0.00 0.00 177.93 177.07 3kra h HIS 269 N 0.06 -0.54 -0.43 5.26 -0.00 -0.81 -2.03 115.15 116.66 3kra h HIS 269 Ca 0.31 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.72 3kra h HIS 269 Cb 0.49 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 3kra h HIS 269 CO -0.43 -0.30 0.29 0.45 -0.00 0.00 0.00 177.93 177.94 3kra h HIS 270 N -0.42 0.44 0.00 5.26 3.86 -0.79 -3.52 115.15 119.97 3kra h HIS 270 Ca 0.01 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3kra h HIS 270 Cb 0.41 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kra h HIS 270 CO -0.17 0.26 0.00 1.58 0.86 0.00 0.00 177.93 180.46