#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 0.00 -0.10 2.12 0.00 -1.26 -4.86 117.38 113.28 3kra n GLN 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.00 56.98 3kra n GLN 2 Cb 0.00 -0.43 0.22 0.00 0.00 0.00 0.00 30.24 30.03 3kra n GLN 2 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3kra h PRO 3 N 0.00 0.76 -0.00 2.61 0.13 -2.06 0.18 132.00 133.63 3kra h PRO 3 Ca 0.00 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3kra h PRO 3 Cb 0.06 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.06 3kra h PRO 3 CO 0.00 0.70 -0.10 -0.92 -0.23 0.00 0.00 178.00 177.45 3kra h TYR 4 N 0.73 -0.25 -0.78 1.56 3.20 -2.00 -0.70 116.97 118.74 3kra h TYR 4 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3kra h TYR 4 Cb 0.30 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3kra h TYR 4 CO 0.02 -0.15 0.44 -1.49 -1.64 0.00 0.00 178.16 175.34 3kra h TRP 5 N -0.17 1.06 -0.32 -3.82 4.06 -1.85 -2.43 115.95 112.49 3kra h TRP 5 Ca 0.04 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 3kra h TRP 5 Cb 0.22 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 3kra h TRP 5 CO -0.16 0.73 -0.13 0.00 -3.56 0.00 0.00 178.44 175.32 3kra h ALA 6 N 1.23 1.19 0.00 1.49 0.00 -0.57 -2.50 119.26 120.10 3kra h ALA 6 Ca 0.28 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3kra h ALA 6 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kra h ALA 6 CO -0.05 0.52 -0.45 0.00 0.00 0.00 0.00 179.25 179.28 3kra h ALA 7 N 1.37 0.99 -0.23 0.00 0.00 -0.69 -1.41 119.26 119.28 3kra h ALA 7 Ca 0.09 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3kra h ALA 7 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kra h ALA 7 CO 0.03 0.56 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 3kra h ILE 8 N 0.00 1.30 -0.47 0.00 2.04 -1.13 0.12 117.51 119.37 3kra h ILE 8 Ca -0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 3kra h ILE 8 Cb 0.95 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3kra h ILE 8 CO 0.06 0.37 0.20 -0.33 0.00 0.00 0.00 178.15 178.45 3kra h GLU 9 N 0.21 0.69 -0.33 2.37 5.08 -1.19 -1.42 114.58 120.00 3kra h GLU 9 Ca 0.05 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3kra h GLU 9 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3kra h GLU 9 CO 0.04 0.62 -0.03 0.00 -1.00 0.00 0.00 179.01 178.63 3kra h ALA 10 N 1.04 1.33 -0.47 3.43 0.00 -1.15 -1.82 119.26 121.61 3kra h ALA 10 Ca 0.16 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3kra h ALA 10 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kra h ALA 10 CO -0.01 0.46 -0.12 -0.44 0.00 0.00 0.00 179.25 179.13 3kra h ASP 11 N 0.50 0.88 -0.24 0.00 3.45 -0.07 -1.17 116.42 119.78 3kra h ASP 11 Ca 0.10 -0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.25 3kra h ASP 11 Cb 0.37 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3kra h ASP 11 CO 0.02 1.01 0.02 0.40 -1.57 0.00 0.00 179.24 179.12 3kra h ILE 12 N 0.79 1.24 -0.52 0.35 2.04 -0.92 -2.12 117.51 118.38 3kra h ILE 12 Ca 0.13 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3kra h ILE 12 Cb 0.65 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3kra h ILE 12 CO 0.04 0.26 0.31 -0.08 0.00 0.00 0.00 178.15 178.69 3kra h GLU 13 N 0.19 0.71 -0.41 2.37 4.81 -1.19 0.65 114.58 121.70 3kra h GLU 13 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3kra h GLU 13 Cb 0.37 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3kra h GLU 13 CO 0.01 0.51 0.18 -0.09 -0.73 0.00 0.00 179.01 178.89 3kra h ARG 14 N 0.70 0.58 -0.19 1.92 2.43 -1.16 0.12 114.38 118.77 3kra h ARG 14 Ca 0.19 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 3kra h ARG 14 Cb -0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3kra h ARG 14 CO -0.03 0.46 -0.44 -0.92 -1.51 0.00 0.00 179.97 177.53 3kra h TYR 15 N 0.58 0.81 -0.46 2.20 5.03 -0.74 -1.53 116.97 122.85 3kra h TYR 15 Ca 0.14 -0.31 -0.00 0.00 2.58 0.00 0.00 58.73 61.15 3kra h TYR 15 Cb 0.09 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 3kra h TYR 15 CO 0.00 1.07 0.27 -0.07 -1.32 0.00 0.00 178.16 178.12 3kra h LEU 16 N 0.31 0.55 -1.33 2.82 3.38 -0.39 -0.81 115.31 119.85 3kra h LEU 16 Ca -0.00 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kra h LEU 16 Cb 1.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3kra h LEU 16 CO 0.10 0.45 0.47 0.11 0.09 0.00 0.00 178.44 179.67 3kra h LYS 17 N 0.61 0.86 -0.18 1.13 1.57 -0.70 -0.06 116.57 119.79 3kra h LYS 17 Ca 0.16 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 3kra h LYS 17 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3kra h LYS 17 CO -0.03 0.57 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.72 3kra h LYS 18 N 0.88 0.47 0.00 3.15 3.64 -0.82 -3.28 116.57 120.61 3kra h LYS 18 Ca 0.28 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3kra h LYS 18 Cb 0.04 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3kra h LYS 18 CO -0.08 0.84 -0.57 0.77 -2.27 0.00 0.00 179.45 178.14 3kra h SER 19 N 0.37 0.00 -3.70 4.20 0.02 0.17 -3.41 113.55 111.19 3kra h SER 19 Ca 0.02 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.29 3kra h SER 19 Cb 0.97 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.15 3kra h SER 19 CO 0.09 0.57 -0.58 -0.63 -1.14 0.00 0.00 176.83 175.14 3kra s ILE 20 N -3.08 3.02 -0.34 3.27 1.01 -0.17 -5.07 121.20 119.85 3kra s ILE 20 Ca 0.02 -2.37 -0.12 0.00 0.00 0.00 0.00 60.65 58.18 3kra s ILE 20 Cb 0.09 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3kra s ILE 20 CO 0.75 -0.70 0.23 -0.89 0.00 0.00 0.00 174.94 174.32 3kra s THR 21 N 0.79 5.19 0.17 2.92 2.01 -1.26 -4.80 115.64 120.65 3kra s THR 21 Ca 0.11 -0.24 -0.32 0.00 0.31 0.00 0.00 61.69 61.55 3kra s THR 21 Cb -0.22 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.52 3kra s THR 21 CO -0.05 0.00 1.76 -0.63 -0.69 0.00 0.00 174.62 175.02 3kra s ILE 22 N 1.71 2.27 0.23 1.82 1.01 -1.26 -4.93 121.20 122.05 3kra s ILE 22 Ca 0.06 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.54 3kra s ILE 22 Cb -0.17 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.32 3kra s ILE 22 CO 0.10 0.00 0.89 0.00 0.00 0.00 0.00 174.94 175.93 3kra s ARG 23 N 1.87 1.52 0.30 2.79 1.70 -1.26 -5.06 118.95 120.80 3kra s ARG 23 Ca 0.77 -0.89 -0.29 0.00 -0.47 0.00 0.00 55.73 54.85 3kra s ARG 23 Cb -0.48 0.49 -0.10 0.00 -0.57 0.00 0.00 34.95 34.29 3kra s ARG 23 CO 0.34 -0.70 1.37 -2.14 -1.08 0.00 0.00 175.30 173.08 3kra s PRO 24 N -3.14 4.31 -0.08 3.89 0.02 -1.26 -2.65 135.00 136.09 3kra s PRO 24 Ca 0.14 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 3kra s PRO 24 Cb -0.03 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.38 3kra s PRO 24 CO 0.05 -0.30 0.91 -1.25 -0.33 0.00 0.00 177.00 176.09 3kra s PRO 25 N -1.25 4.45 0.55 5.54 0.04 -1.26 -5.00 135.00 138.06 3kra s PRO 25 Ca 0.53 1.23 0.31 0.00 0.04 0.00 0.00 61.00 63.12 3kra s PRO 25 Cb -0.41 -3.50 1.56 0.00 0.04 0.00 0.00 34.50 32.19 3kra s PRO 25 CO 0.50 -0.16 2.09 1.49 0.04 0.00 0.00 177.00 180.95 3kra h GLU 26 N 6.98 0.00 0.00 4.56 4.22 -1.92 -1.19 114.58 127.23 3kra h GLU 26 Ca -0.36 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.07 3kra h GLU 26 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3kra h GLU 26 CO 0.80 0.08 -0.08 1.79 -2.18 0.00 0.00 179.01 179.42 3kra h THR 27 N 0.00 0.47 0.00 0.32 1.35 -1.98 0.14 112.91 113.21 3kra h THR 27 Ca -0.00 -0.39 -0.25 0.00 -0.55 0.00 0.00 66.41 65.22 3kra h THR 27 Cb 0.35 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 3kra h THR 27 CO 0.01 0.08 -1.52 0.52 -0.25 0.00 0.00 175.52 174.36 3kra n VAL 28 N -3.59 1.51 0.19 6.82 0.31 -0.54 -4.42 118.33 118.62 3kra n VAL 28 Ca -0.02 -0.08 0.08 0.00 -0.01 0.00 0.00 64.34 64.30 3kra n VAL 28 Cb 0.20 -2.08 0.23 0.00 -0.91 0.00 0.00 33.84 31.28 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 0.57 3.52 -1.00 -1.32 -2.27 116.94 115.45 3kra h PHE 29 Ca -0.37 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.38 3kra h PHE 29 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 3kra h PHE 29 CO -0.06 0.28 -0.31 0.78 -1.61 0.00 0.00 178.31 177.40 3kra h GLY 30 N 3.06 -0.86 1.91 -1.45 0.00 -0.95 -0.11 103.07 104.67 3kra h GLY 30 Ca -0.00 0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.54 3kra h GLY 30 CO 0.04 -0.31 -0.56 -0.56 0.00 0.00 0.00 176.54 175.15 3kra h PRO 31 N -0.81 0.09 -0.38 4.80 0.13 -1.74 -1.14 132.00 132.96 3kra h PRO 31 Ca -0.07 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3kra h PRO 31 Cb 0.64 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 3kra h PRO 31 CO 0.11 0.62 0.22 1.98 -0.23 0.00 0.00 178.00 180.71 3kra h MET 32 N 0.07 0.44 0.03 0.86 4.05 -1.14 -0.33 114.93 118.92 3kra h MET 32 Ca -0.00 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3kra h MET 32 Cb 1.01 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3kra h MET 32 CO 0.08 0.29 -0.02 1.25 0.23 0.00 0.00 176.91 178.75 3kra h HIS 33 N 0.46 -0.04 0.06 1.39 6.17 -0.93 -2.77 115.15 119.48 3kra h HIS 33 Ca 0.15 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.25 3kra h HIS 33 Cb -0.00 0.01 -0.04 0.00 2.52 0.00 0.00 27.41 29.90 3kra h HIS 33 CO -0.07 0.37 -0.29 1.25 0.71 0.00 0.00 177.93 179.89 3kra h HIS 34 N -0.46 -0.80 -0.08 5.26 6.17 -1.02 -2.56 115.15 121.66 3kra h HIS 34 Ca -0.00 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.04 3kra h HIS 34 Cb 0.43 0.35 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 3kra h HIS 34 CO 0.07 -0.39 -0.21 -0.07 0.71 0.00 0.00 177.93 178.04 3kra h LEU 35 N -0.48 0.12 -0.68 0.26 3.38 -1.17 0.10 115.31 116.85 3kra h LEU 35 Ca 0.05 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3kra h LEU 35 Cb 0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kra h LEU 35 CO -0.21 0.34 0.13 0.74 0.09 0.00 0.00 178.44 179.53 3kra h THR 36 N 0.12 1.26 0.00 0.22 2.02 -1.18 -2.81 112.91 112.55 3kra h THR 36 Ca 0.02 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3kra h THR 36 Cb 0.44 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3kra h THR 36 CO 0.03 0.39 -0.64 0.49 0.37 0.00 0.00 175.52 176.16 3kra n PHE 37 N -4.22 0.19 0.18 3.16 3.01 -0.93 -3.60 117.46 115.24 3kra n PHE 37 Ca 0.05 0.05 0.08 0.00 1.01 0.00 0.00 57.45 58.64 3kra n PHE 37 Cb 0.28 -0.38 0.11 0.00 -0.01 0.00 0.00 39.48 39.48 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 2.79 0.86 -2.77 4.37 0.00 -0.88 -3.44 119.26 120.18 3kra h ALA 38 Ca 0.00 -0.20 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 3kra h ALA 38 Cb 0.60 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kra h ALA 38 CO 0.00 0.27 0.49 0.00 0.00 0.00 0.00 179.25 180.01 3kra s ALA 39 N -3.10 3.41 0.81 0.00 0.00 -1.07 -4.99 121.76 116.82 3kra s ALA 39 Ca 0.06 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 3kra s ALA 39 Cb 0.06 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3kra s ALA 39 CO 0.70 -0.20 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 3kra s PRO 40 N -1.19 1.94 0.63 0.00 0.04 -1.26 -4.97 135.00 130.19 3kra s PRO 40 Ca 0.46 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3kra s PRO 40 Cb -0.32 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3kra s PRO 40 CO 0.40 -1.85 1.17 0.00 0.04 0.00 0.00 177.00 176.76 3kra s ALA 41 N -2.89 2.46 -0.05 8.56 0.00 -1.26 -4.91 121.76 123.67 3kra s ALA 41 Ca 0.62 0.86 0.07 0.00 0.00 0.00 0.00 51.96 53.50 3kra s ALA 41 Cb -0.18 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3kra s ALA 41 CO 0.56 -1.27 -0.25 -0.08 0.00 0.00 0.00 175.76 174.72 3kra s THR 42 N -1.86 2.05 -0.44 0.00 -1.32 -1.26 -4.98 115.64 107.83 3kra s THR 42 Ca 0.74 -1.08 0.18 0.00 -1.21 0.00 0.00 61.69 60.32 3kra s THR 42 Cb -0.27 -1.72 0.18 0.00 -1.51 0.00 0.00 72.50 69.18 3kra s THR 42 CO 0.36 0.57 1.56 0.00 -2.21 0.00 0.00 174.62 174.90 3kra n ALA 43 N 2.79 1.22 -0.11 11.08 0.00 -1.26 -1.89 120.51 132.34 3kra n ALA 43 Ca -0.17 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3kra n ALA 43 Cb 0.52 -1.28 0.30 0.00 0.00 0.00 0.00 19.45 18.99 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 2.09 1.48 -0.22 0.00 0.00 -1.91 1.00 119.26 121.70 3kra h ALA 44 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3kra h ALA 44 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kra h ALA 44 CO 0.00 0.43 -0.49 0.77 0.00 0.00 0.00 179.25 179.95 3kra h SER 45 N 0.77 0.82 -0.38 0.00 0.02 -1.65 -2.52 113.55 110.61 3kra h SER 45 Ca 0.20 -0.56 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3kra h SER 45 Cb 0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3kra h SER 45 CO -0.03 1.22 0.18 0.74 -1.14 0.00 0.00 176.83 177.80 3kra h THR 46 N 0.44 1.17 -0.49 -2.27 2.02 -1.50 -2.31 112.91 109.97 3kra h THR 46 Ca 0.00 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.73 3kra h THR 46 Cb 1.11 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3kra h THR 46 CO 0.11 0.18 0.33 0.25 0.37 0.00 0.00 175.52 176.76 3kra h LEU 47 N 0.47 0.44 0.14 2.58 5.85 -0.84 -0.20 115.31 123.76 3kra h LEU 47 Ca 0.13 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kra h LEU 47 Cb 0.13 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3kra h LEU 47 CO -0.02 0.30 -0.07 0.00 -0.34 0.00 0.00 178.44 178.32 3kra h LEU 49 N -0.31 0.77 -1.13 0.00 3.38 -1.20 -2.17 115.31 114.65 3kra h LEU 49 Ca -0.02 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3kra h LEU 49 Cb 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3kra h LEU 49 CO 0.03 0.97 0.46 0.00 0.09 0.00 0.00 178.44 179.99 3kra h ALA 50 N 0.83 1.34 -0.56 1.53 0.00 -0.93 -1.57 119.26 119.89 3kra h ALA 50 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3kra h ALA 50 Cb 0.65 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kra h ALA 50 CO 0.04 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.77 3kra h ALA 51 N 1.43 0.77 -0.31 0.00 0.00 -0.63 -0.65 119.26 119.87 3kra h ALA 51 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kra h ALA 51 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kra h ALA 51 CO -0.05 0.67 0.17 0.00 0.00 0.00 0.00 179.25 180.05 3kra h GLU 53 N 0.38 1.01 -0.89 0.00 5.08 -1.22 0.43 114.58 119.38 3kra h GLU 53 Ca 0.11 -0.37 0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3kra h GLU 53 Cb 0.04 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 3kra h GLU 53 CO -0.02 1.06 0.50 1.25 -1.00 0.00 0.00 179.01 180.80 3kra h LEU 54 N 0.90 0.67 -0.62 1.33 6.46 -0.86 0.74 115.31 123.92 3kra h LEU 54 Ca 0.14 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3kra h LEU 54 Cb 0.67 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3kra h LEU 54 CO 0.05 0.31 0.00 1.33 -0.62 0.00 0.00 178.44 179.51 3kra n VAL 55 N -4.78 0.04 0.00 1.05 0.24 -0.97 -4.92 118.33 108.99 3kra n VAL 55 Ca 0.17 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kra n VAL 55 Cb 0.40 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 1.08 0.66 3.84 7.63 0.00 0.25 -4.83 105.19 113.83 3kra n GLY 56 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3kra n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kra s GLY 57 N -1.34 1.63 0.22 -0.02 0.00 0.12 -4.96 107.32 102.97 3kra s GLY 57 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 3kra s GLY 57 CO 0.00 0.14 0.79 -0.35 0.00 0.00 0.00 173.10 173.69 3kra s ASP 58 N -4.09 7.26 0.31 1.64 -1.08 -1.26 -4.01 116.67 115.44 3kra s ASP 58 Ca 0.60 1.60 0.08 0.00 -0.52 0.00 0.00 52.55 54.31 3kra s ASP 58 Cb -0.13 -2.49 0.85 0.00 -1.46 0.00 0.00 42.92 39.69 3kra s ASP 58 CO 0.53 0.09 1.70 -0.09 0.52 0.00 0.00 175.17 177.93 3kra h ARG 59 N 3.77 0.45 0.00 4.34 2.43 -1.92 -0.78 114.38 122.67 3kra h ARG 59 Ca -0.47 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3kra h ARG 59 Cb 1.20 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3kra h ARG 59 CO 0.66 0.30 -0.03 0.77 -1.51 0.00 0.00 179.97 180.16 3kra h SER 60 N 0.46 0.00 0.68 -3.80 0.02 -1.99 -2.24 113.55 106.69 3kra h SER 60 Ca 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 3kra h SER 60 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3kra h SER 60 CO -0.52 0.03 0.00 1.56 -1.14 0.00 0.00 176.83 176.75 3kra h GLN 61 N 0.00 0.00 -0.08 3.45 4.20 -1.49 -2.87 115.11 118.31 3kra h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kra h GLN 61 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3kra h GLN 61 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 3kra n ALA 62 N -2.02 2.36 -0.20 3.87 0.00 -0.85 -4.71 120.51 118.96 3kra n ALA 62 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 3kra n ALA 62 Cb 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 1.33 0.95 -0.69 0.00 -1.53 -1.42 -1.52 114.93 112.05 3kra h MET 63 Ca 0.00 -0.26 -0.04 0.00 -3.44 0.00 0.00 59.70 55.96 3kra h MET 63 Cb 0.41 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.32 3kra h MET 63 CO 0.00 0.92 0.28 0.00 0.14 0.00 0.00 176.91 178.24 3kra h ALA 64 N 0.99 1.19 -0.32 0.39 0.00 -1.84 0.63 119.26 120.30 3kra h ALA 64 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kra h ALA 64 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kra h ALA 64 CO 0.01 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.75 3kra h ALA 65 N 1.30 0.45 -0.76 0.00 0.00 -1.82 0.13 119.26 118.56 3kra h ALA 65 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kra h ALA 65 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3kra h ALA 65 CO -0.02 0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.88 3kra h ALA 66 N 0.79 1.16 -0.39 0.00 0.00 -0.71 0.13 119.26 120.23 3kra h ALA 66 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kra h ALA 66 Cb 0.61 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kra h ALA 66 CO 0.04 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.97 3kra h ALA 67 N 1.27 0.52 -0.76 0.00 0.00 -0.70 -1.34 119.26 118.26 3kra h ALA 67 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kra h ALA 67 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3kra h ALA 67 CO -0.03 0.24 0.37 0.00 0.00 0.00 0.00 179.25 179.83 3kra h ALA 68 N 0.92 1.24 -0.62 0.00 0.00 -0.29 0.45 119.26 120.95 3kra h ALA 68 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kra h ALA 68 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kra h ALA 68 CO 0.01 0.59 0.09 0.82 0.00 0.00 0.00 179.25 180.76 3kra h ILE 69 N 1.07 1.26 -0.53 0.00 2.04 -0.50 -0.07 117.51 120.78 3kra h ILE 69 Ca 0.26 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3kra h ILE 69 Cb 0.09 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3kra h ILE 69 CO -0.04 0.38 0.25 -0.74 0.00 0.00 0.00 178.15 178.01 3kra h HIS 70 N 0.95 0.76 -0.55 1.37 2.76 -0.39 -1.75 115.15 118.30 3kra h HIS 70 Ca 0.19 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3kra h HIS 70 Cb 0.45 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 3kra h HIS 70 CO 0.03 0.59 0.34 -0.07 -1.30 0.00 0.00 177.93 177.53 3kra h LEU 71 N 0.71 0.65 -0.50 0.26 3.38 -0.53 0.71 115.31 120.00 3kra h LEU 71 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kra h LEU 71 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kra h LEU 71 CO -0.02 0.51 0.33 0.58 0.09 0.00 0.00 178.44 179.92 3kra h VAL 72 N 0.74 1.13 -0.46 1.22 2.07 -0.86 0.42 116.25 120.52 3kra h VAL 72 Ca 0.20 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kra h VAL 72 Cb -0.03 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3kra h VAL 72 CO -0.04 0.13 0.23 -0.74 0.02 0.00 0.00 177.57 177.17 3kra h HIS 73 N 0.67 0.65 -0.45 1.57 -0.00 -0.76 -1.74 115.15 115.09 3kra h HIS 73 Ca 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 3kra h HIS 73 Cb -0.07 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.12 3kra h HIS 73 CO -0.04 0.51 0.22 0.00 -0.00 0.00 0.00 177.93 178.62 3kra h ALA 74 N 1.08 0.59 -0.67 5.26 0.00 0.87 -1.05 119.26 125.33 3kra h ALA 74 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kra h ALA 74 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3kra h ALA 74 CO -0.02 0.15 0.44 0.00 0.00 0.00 0.00 179.25 179.82 3kra h ALA 75 N 1.06 0.85 -0.68 0.00 0.00 -0.68 0.11 119.26 119.91 3kra h ALA 75 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kra h ALA 75 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kra h ALA 75 CO -0.02 0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.74 3kra h ALA 76 N 1.24 1.12 -0.19 0.00 0.00 -0.95 0.60 119.26 121.08 3kra h ALA 76 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kra h ALA 76 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kra h ALA 76 CO -0.05 0.61 0.06 -0.92 0.00 0.00 0.00 179.25 178.95 3kra h TYR 77 N 1.00 0.32 0.03 0.00 3.20 -0.85 0.16 116.97 120.82 3kra h TYR 77 Ca 0.22 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3kra h TYR 77 Cb 0.26 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3kra h TYR 77 CO 0.02 0.40 -0.01 0.28 -1.64 0.00 0.00 178.16 177.21 3kra h VAL 78 N 0.14 0.98 -0.63 1.81 2.07 -0.58 -2.99 116.25 117.04 3kra h VAL 78 Ca 0.06 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3kra h VAL 78 Cb 0.23 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3kra h VAL 78 CO -0.00 0.00 0.29 0.45 0.02 0.00 0.00 177.57 178.33 3kra h HIS 79 N -0.04 0.90 0.00 1.57 3.86 -0.74 -2.45 115.15 118.24 3kra h HIS 79 Ca -0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3kra h HIS 79 Cb 0.03 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.22 3kra h HIS 79 CO -0.08 0.66 0.00 1.05 0.86 0.00 0.00 177.93 180.43 3kra h GLU 80 N 0.90 0.00 -0.33 2.45 4.11 -0.58 -2.83 114.58 118.29 3kra h GLU 80 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 3kra h GLU 80 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kra h GLU 80 CO -0.03 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.77 3kra n HIS 81 N -2.60 0.43 -1.72 2.06 8.25 -0.94 -4.91 115.22 115.78 3kra n HIS 81 Ca 0.02 -0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 3kra n HIS 81 Cb 0.28 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 3kra n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kra n LEU 82 N 1.10 3.96 -4.56 2.41 4.77 -1.07 -4.89 117.00 118.72 3kra n LEU 82 Ca 0.15 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 56.91 3kra n LEU 82 Cb 0.50 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3kra n LEU 82 CO 0.12 -0.17 1.25 -2.16 -1.33 0.00 0.00 177.39 175.09 3kra s PRO 83 N -1.31 3.17 0.48 3.23 0.04 -1.26 -5.00 135.00 134.35 3kra s PRO 83 Ca 0.59 0.10 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 3kra s PRO 83 Cb -0.54 -4.18 -0.05 0.00 0.04 0.00 0.00 34.50 29.77 3kra s PRO 83 CO 0.57 -2.14 0.82 -0.51 0.04 0.00 0.00 177.00 175.78 3kra s LEU 84 N 6.23 3.62 0.00 -3.56 1.43 -1.26 -5.00 118.68 120.14 3kra s LEU 84 Ca 0.45 1.07 0.24 0.00 -1.03 0.00 0.00 54.13 54.85 3kra s LEU 84 Cb -0.09 -4.02 0.27 0.00 0.03 0.00 0.00 46.19 42.38 3kra s LEU 84 CO 0.19 -0.57 1.25 0.35 0.23 0.00 0.00 176.35 177.80 3kra n THR 85 N -2.06 0.00 -0.32 5.49 -2.24 -1.26 -4.49 114.28 109.40 3kra n THR 85 Ca 0.02 -0.15 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3kra n THR 85 Cb 0.55 0.83 0.14 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.60 2.87 -1.91 3.42 5.75 -1.26 -4.97 116.55 119.85 3kra n ASP 86 Ca 0.09 -2.23 -0.19 0.00 -0.01 0.00 0.00 54.79 52.46 3kra n ASP 86 Cb 0.39 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.04 0.32 0.11 6.12 0.00 -1.26 -4.88 105.19 105.64 3kra n GLY 87 Ca 0.11 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3kra n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kra h SER 88 N 0.00 0.00 -3.16 1.61 4.64 -1.93 -3.41 113.55 111.30 3kra h SER 88 Ca -0.43 -0.03 -0.45 0.00 -0.47 0.00 0.00 61.79 60.41 3kra h SER 88 Cb 1.30 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.98 3kra h SER 88 CO 0.54 0.02 -0.75 -0.60 -0.87 0.00 0.00 176.83 175.16 3kra s ARG 89 N -3.13 0.18 0.26 4.77 3.52 -1.26 -5.10 118.95 118.18 3kra s ARG 89 Ca 0.09 -0.03 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 3kra s ARG 89 Cb 0.12 -1.53 -0.13 0.00 -1.56 0.00 0.00 34.95 31.85 3kra s ARG 89 CO 0.63 -0.56 1.52 -0.35 -0.81 0.00 0.00 175.30 175.72 3kra n PRO 90 N 5.23 2.37 -1.77 5.12 -0.04 -1.26 -4.89 135.00 139.76 3kra n PRO 90 Ca -0.06 0.85 -0.41 0.00 -0.04 0.00 0.00 63.50 63.83 3kra n PRO 90 Cb 0.49 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.36 3kra n PRO 90 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kra s VAL 91 N 0.08 2.06 0.51 0.52 1.01 -1.26 -4.95 120.40 118.36 3kra s VAL 91 Ca 0.67 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 3kra s VAL 91 Cb -0.58 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3kra s VAL 91 CO 0.48 0.01 1.30 -1.54 0.00 0.00 0.00 175.10 175.35 3kra n SER 92 N 2.12 2.50 0.00 3.32 3.41 -1.26 -4.95 113.62 118.76 3kra n SER 92 Ca 0.08 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3kra n SER 92 Cb 0.37 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 -0.69 0.00 -2.69 4.33 4.81 -1.26 -2.62 118.16 120.04 3kra n LYS 93 Ca 0.09 0.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 3kra n LYS 93 Cb 0.43 -0.52 -0.03 0.00 0.02 0.00 0.00 35.03 34.94 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 -0.14 4.47 0.10 1.64 0.02 -1.26 -4.94 135.00 134.90 3kra s PRO 94 Ca 0.00 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.13 3kra s PRO 94 Cb 0.00 -3.51 -0.06 0.00 0.02 0.00 0.00 34.50 30.95 3kra s PRO 94 CO 0.00 -0.22 1.17 0.00 -0.33 0.00 0.00 177.00 177.62 3kra s ALA 95 N 1.63 3.39 0.90 -1.55 0.00 -1.08 -5.01 121.76 120.04 3kra s ALA 95 Ca 0.50 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 3kra s ALA 95 Cb -0.20 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.64 3kra s ALA 95 CO 0.22 -0.37 1.13 0.96 0.00 0.00 0.00 175.76 177.70 3kra s ILE 96 N 0.62 2.16 0.39 0.00 -4.36 -1.26 -5.03 121.20 113.72 3kra s ILE 96 Ca 0.56 0.05 -0.07 0.00 -0.26 0.00 0.00 60.65 60.93 3kra s ILE 96 Cb -0.30 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 40.58 3kra s ILE 96 CO 0.31 -0.07 0.70 -1.10 0.24 0.00 0.00 174.94 175.02 3kra s GLN 97 N -5.24 3.65 -0.30 0.37 -1.52 -1.26 -5.08 119.66 110.27 3kra s GLN 97 Ca 0.63 0.20 0.00 0.00 -1.95 0.00 0.00 55.36 54.25 3kra s GLN 97 Cb -0.15 -2.48 0.09 0.00 -0.22 0.00 0.00 33.01 30.25 3kra s GLN 97 CO 0.54 -0.00 0.06 -1.01 -0.25 0.00 0.00 175.29 174.63 3kra s HIS 98 N -2.39 2.26 0.32 0.91 3.76 -1.26 -4.97 115.29 113.93 3kra s HIS 98 Ca 0.47 -1.99 0.11 0.00 -0.15 0.00 0.00 55.06 53.50 3kra s HIS 98 Cb -0.10 -1.95 0.54 0.00 1.11 0.00 0.00 32.58 32.18 3kra s HIS 98 CO 0.35 -0.86 1.72 -0.22 -0.85 0.00 0.00 174.74 174.88 3kra h LYS 99 N 7.96 0.02 -6.23 1.40 3.64 -2.03 -3.45 116.57 117.88 3kra h LYS 99 Ca -0.12 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.68 3kra h LYS 99 Cb 1.03 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.74 3kra h LYS 99 CO 0.47 0.50 -0.67 0.71 -2.27 0.00 0.00 179.45 178.19 3kra s TYR 100 N -3.94 2.63 1.00 1.91 2.02 -1.26 -5.14 117.35 114.58 3kra s TYR 100 Ca -0.02 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 3kra s TYR 100 Cb 0.14 -1.17 0.19 0.00 -0.40 0.00 0.00 41.96 40.71 3kra s TYR 100 CO 0.75 0.62 1.08 0.20 -1.57 0.00 0.00 175.55 176.63 3kra s GLY 101 N -3.55 1.61 0.22 0.71 0.00 -1.26 -4.75 107.32 100.30 3kra s GLY 101 Ca 0.30 0.07 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 3kra s GLY 101 CO 0.19 0.63 1.84 -2.55 0.00 0.00 0.00 173.10 173.21 3kra h PRO 102 N -2.05 1.21 -0.52 2.90 0.11 -1.99 -0.92 132.00 130.74 3kra h PRO 102 Ca -0.53 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.44 3kra h PRO 102 Cb 1.30 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3kra h PRO 102 CO 0.50 0.89 0.32 -2.95 -0.21 0.00 0.00 178.00 176.55 3kra h ASN 103 N 1.21 0.62 -0.52 -2.05 7.08 -1.99 0.27 115.58 120.19 3kra h ASN 103 Ca 0.30 -0.05 -0.12 0.00 -3.08 0.00 0.00 56.30 53.36 3kra h ASN 103 Cb 0.04 -0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 36.11 3kra h ASN 103 CO -0.05 0.48 -0.14 0.58 -2.08 0.00 0.00 177.43 176.22 3kra h VAL 104 N 0.70 1.27 -0.47 6.14 2.07 -1.85 -1.15 116.25 122.97 3kra h VAL 104 Ca 0.19 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 3kra h VAL 104 Cb -0.03 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3kra h VAL 104 CO -0.04 0.46 0.16 -0.33 0.02 0.00 0.00 177.57 177.84 3kra h GLU 105 N 0.89 0.72 0.29 1.57 5.08 -0.89 -0.33 114.58 121.90 3kra h GLU 105 Ca 0.13 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3kra h GLU 105 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kra h GLU 105 CO 0.05 0.68 -0.14 1.25 -1.00 0.00 0.00 179.01 179.85 3kra h LEU 106 N 0.62 -0.33 -0.67 1.33 5.85 -0.20 -1.84 115.31 120.07 3kra h LEU 106 Ca 0.15 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kra h LEU 106 Cb 0.25 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3kra h LEU 106 CO -0.01 -0.14 0.39 -0.07 -0.34 0.00 0.00 178.44 178.27 3kra h LEU 107 N -0.50 0.81 -0.72 2.25 3.38 -1.23 -2.32 115.31 116.97 3kra h LEU 107 Ca -0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3kra h LEU 107 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kra h LEU 107 CO 0.07 0.64 0.31 0.74 0.09 0.00 0.00 178.44 180.29 3kra h THR 108 N 0.91 1.25 -0.75 0.22 2.02 -0.98 0.21 112.91 115.79 3kra h THR 108 Ca 0.24 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kra h THR 108 Cb -0.01 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 3kra h THR 108 CO -0.04 0.30 0.48 1.23 0.37 0.00 0.00 175.52 177.86 3kra h GLY 109 N 1.03 1.06 2.00 2.16 0.00 -1.07 0.39 103.07 108.65 3kra h GLY 109 Ca 0.24 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3kra h GLY 109 CO -0.02 0.40 -0.15 -0.55 0.00 0.00 0.00 176.54 176.21 3kra h ASP 110 N 1.02 0.00 0.78 0.19 3.32 -0.60 -2.78 116.42 118.36 3kra h ASP 110 Ca 0.27 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.14 3kra h ASP 110 Cb -0.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3kra h ASP 110 CO -0.06 0.15 -1.33 1.23 -1.72 0.00 0.00 179.24 177.52 3kra h GLY 111 N 1.58 0.00 1.04 2.75 0.00 0.96 -3.38 103.07 106.02 3kra h GLY 111 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3kra h GLY 111 CO 0.02 0.00 -0.58 -2.22 0.00 0.00 0.00 176.54 173.76 3kra h ILE 112 N 0.00 1.31 0.08 2.60 2.04 -0.06 -2.95 117.51 120.52 3kra h ILE 112 Ca -0.15 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 63.91 3kra h ILE 112 Cb 1.62 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 3kra h ILE 112 CO 0.06 0.57 -0.16 0.58 0.00 0.00 0.00 178.15 179.19 3kra h VAL 113 N 0.41 0.62 0.00 1.67 2.07 -1.70 -1.59 116.25 117.73 3kra h VAL 113 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3kra h VAL 113 Cb 1.20 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3kra h VAL 113 CO 0.12 0.00 -0.07 1.55 0.02 0.00 0.00 177.57 179.19 3kra h PRO 114 N -0.31 0.00 -0.43 1.57 0.13 -1.74 -1.78 132.00 129.43 3kra h PRO 114 Ca 0.03 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3kra h PRO 114 Cb 0.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3kra h PRO 114 CO -0.10 0.07 0.29 0.35 -0.23 0.00 0.00 178.00 178.38 3kra h PHE 115 N 0.00 0.52 -0.43 1.56 -0.00 -1.11 0.76 116.94 118.24 3kra h PHE 115 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 3kra h PHE 115 Cb 0.15 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 35.90 3kra h PHE 115 CO 0.00 0.32 0.28 0.78 -0.00 0.00 0.00 178.31 179.69 3kra h GLY 116 N 0.55 0.61 1.58 2.40 0.00 -1.15 0.11 103.07 107.18 3kra h GLY 116 Ca 0.16 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3kra h GLY 116 CO -0.04 0.23 -0.36 0.74 0.00 0.00 0.00 176.54 177.11 3kra h PHE 117 N 0.58 0.55 -0.40 5.60 0.04 -1.40 0.31 116.94 122.23 3kra h PHE 117 Ca 0.16 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3kra h PHE 117 Cb -0.05 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 3kra h PHE 117 CO -0.04 0.77 0.22 1.49 -0.60 0.00 0.00 178.31 180.14 3kra h GLU 118 N 0.40 0.56 -0.52 1.51 4.81 -0.42 0.57 114.58 121.50 3kra h GLU 118 Ca 0.04 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3kra h GLU 118 Cb 0.81 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 3kra h GLU 118 CO 0.07 0.46 0.34 -0.07 -0.73 0.00 0.00 179.01 179.08 3kra h LEU 119 N 0.52 0.58 -0.09 1.64 3.38 -0.30 0.23 115.31 121.27 3kra h LEU 119 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kra h LEU 119 Cb 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kra h LEU 119 CO -0.02 0.42 0.05 -0.07 0.09 0.00 0.00 178.44 178.90 3kra h LEU 120 N 0.69 0.11 -0.88 1.67 3.38 -0.63 -0.55 115.31 119.10 3kra h LEU 120 Ca 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3kra h LEU 120 Cb -0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kra h LEU 120 CO -0.05 0.15 0.49 0.00 0.09 0.00 0.00 178.44 179.11 3kra h ALA 121 N 0.96 1.12 0.00 1.53 0.00 -0.63 -2.03 119.26 120.22 3kra h ALA 121 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kra h ALA 121 Cb 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3kra h ALA 121 CO -0.01 0.63 0.00 0.78 0.00 0.00 0.00 179.25 180.65 3kra h GLY 122 N 1.22 0.00 1.65 0.00 0.00 -0.28 -3.07 103.07 102.59 3kra h GLY 122 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3kra h GLY 122 CO -0.05 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.35 3kra n SER 123 N -2.87 0.00 -4.68 0.19 3.41 -0.24 -4.82 113.62 104.61 3kra n SER 123 Ca 0.01 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3kra n SER 123 Cb 0.30 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.65 2.71 -0.32 -3.33 1.01 -1.16 -4.94 120.40 111.72 3kra s VAL 124 Ca 0.26 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 3kra s VAL 124 Cb 0.20 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3kra s VAL 124 CO 0.47 -0.00 0.46 -0.62 0.00 0.00 0.00 175.10 175.41 3kra s ASP 125 N 3.19 6.31 0.05 3.32 -1.08 -1.26 -4.92 116.67 122.28 3kra s ASP 125 Ca 0.83 0.11 0.09 0.00 -0.52 0.00 0.00 52.55 53.06 3kra s ASP 125 Cb -0.45 -2.25 0.42 0.00 -1.46 0.00 0.00 42.92 39.19 3kra s ASP 125 CO 0.37 -0.37 1.29 -0.81 0.52 0.00 0.00 175.17 176.18 3kra n PRO 126 N 5.58 0.03 0.00 4.34 -0.04 -1.26 -1.05 135.00 142.60 3kra n PRO 126 Ca -0.06 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3kra n PRO 126 Cb 0.49 -1.57 0.46 0.00 -0.04 0.00 0.00 33.50 32.84 3kra n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kra n ALA 127 N -1.55 2.94 -3.62 0.55 0.00 -1.26 -4.71 120.51 112.86 3kra n ALA 127 Ca 0.01 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.73 3kra n ALA 127 Cb 0.09 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.44 2.39 0.61 0.00 1.81 -0.21 -5.00 118.95 116.11 3kra s ARG 128 Ca 0.27 -1.33 0.38 0.00 -1.72 0.00 0.00 55.73 53.33 3kra s ARG 128 Cb 0.20 -3.26 1.96 0.00 -0.45 0.00 0.00 34.95 33.40 3kra s ARG 128 CO 0.49 -0.68 2.22 1.79 -0.68 0.00 0.00 175.30 178.43 3kra h THR 129 N 6.42 0.13 0.00 0.02 1.35 -1.84 -2.87 112.91 116.13 3kra h THR 129 Ca -0.20 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3kra h THR 129 Cb 1.06 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3kra h THR 129 CO 0.56 0.02 -0.53 0.47 -0.25 0.00 0.00 175.52 175.79 3kra n ASP 130 N -3.23 0.52 -0.00 5.36 8.00 -1.26 -4.50 116.55 121.44 3kra n ASP 130 Ca -0.02 -0.24 -0.09 0.00 0.71 0.00 0.00 54.79 55.15 3kra n ASP 130 Cb 0.16 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 -0.41 -0.16 -2.24 5.19 -1.82 -2.70 116.42 114.27 3kra h ASP 131 Ca 0.00 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.54 3kra h ASP 131 Cb 0.52 0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 3kra h ASP 131 CO 0.00 -0.18 -0.20 -0.65 -3.12 0.00 0.00 179.24 175.09 3kra h PRO 132 N -0.16 -0.24 -0.48 3.56 0.11 -1.81 0.63 132.00 133.62 3kra h PRO 132 Ca 0.09 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.23 3kra h PRO 132 Cb 0.29 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 3kra h PRO 132 CO -0.22 -0.16 0.29 -0.44 -0.21 0.00 0.00 178.00 177.26 3kra h ASP 133 N -0.25 0.47 -0.23 -2.05 3.32 -1.85 -0.80 116.42 115.04 3kra h ASP 133 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3kra h ASP 133 Cb 0.41 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kra h ASP 133 CO -0.30 0.34 -0.31 0.03 -1.72 0.00 0.00 179.24 177.28 3kra h ARG 134 N 0.58 0.62 -0.66 3.56 3.08 -1.13 -1.86 114.38 118.57 3kra h ARG 134 Ca 0.19 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3kra h ARG 134 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3kra h ARG 134 CO -0.08 0.96 0.13 0.82 -1.07 0.00 0.00 179.97 180.73 3kra h ILE 135 N 0.31 1.26 -0.30 2.04 1.08 -0.86 -0.21 117.51 120.84 3kra h ILE 135 Ca 0.03 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 3kra h ILE 135 Cb 0.89 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3kra h ILE 135 CO 0.07 0.38 0.18 0.25 -0.69 0.00 0.00 178.15 178.34 3kra h LEU 136 N 1.00 0.36 -0.71 1.44 5.85 -1.10 0.98 115.31 123.14 3kra h LEU 136 Ca 0.20 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3kra h LEU 136 Cb 0.41 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3kra h LEU 136 CO 0.01 0.30 0.41 -0.09 -0.34 0.00 0.00 178.44 178.73 3kra h ARG 137 N 0.39 0.74 -0.34 1.25 2.43 -0.99 -2.02 114.38 115.83 3kra h ARG 137 Ca 0.11 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3kra h ARG 137 Cb 0.00 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3kra h ARG 137 CO -0.02 0.49 -0.13 0.28 -1.51 0.00 0.00 179.97 179.08 3kra h VAL 138 N 0.76 1.24 -0.64 0.20 2.07 -0.51 -1.41 116.25 117.97 3kra h VAL 138 Ca 0.31 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3kra h VAL 138 Cb 0.16 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3kra h VAL 138 CO -0.17 0.36 0.13 0.40 0.02 0.00 0.00 177.57 178.31 3kra h ILE 139 N 0.54 1.25 -0.26 4.57 2.04 -0.28 -1.30 117.51 124.08 3kra h ILE 139 Ca 0.10 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3kra h ILE 139 Cb 0.54 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3kra h ILE 139 CO 0.03 0.36 0.11 0.40 0.00 0.00 0.00 178.15 179.06 3kra h ILE 140 N 0.97 1.16 -0.22 -0.67 2.04 -1.00 -0.42 117.51 119.37 3kra h ILE 140 Ca 0.20 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3kra h ILE 140 Cb 0.38 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3kra h ILE 140 CO 0.01 0.17 0.01 -0.33 0.00 0.00 0.00 178.15 178.00 3kra h GLU 141 N 0.28 0.08 -0.21 2.37 4.39 -1.03 -0.49 114.58 119.97 3kra h GLU 141 Ca 0.09 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 3kra h GLU 141 Cb 0.16 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3kra h GLU 141 CO -0.01 0.05 -0.05 0.82 -1.16 0.00 0.00 179.01 178.66 3kra h ILE 142 N 0.08 1.29 -0.35 3.13 2.04 -1.14 -1.36 117.51 121.20 3kra h ILE 142 Ca 0.10 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3kra h ILE 142 Cb 0.13 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3kra h ILE 142 CO -0.17 0.32 0.02 0.77 0.00 0.00 0.00 178.15 179.09 3kra h SER 143 N 0.12 0.50 0.03 1.72 4.64 -1.02 -0.19 113.55 119.35 3kra h SER 143 Ca 0.05 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kra h SER 143 Cb 0.50 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3kra h SER 143 CO 0.02 0.55 -0.01 0.03 -0.87 0.00 0.00 176.83 176.55 3kra h ARG 144 N 0.52 -0.04 -0.19 4.77 3.08 -1.01 -2.12 114.38 119.39 3kra h ARG 144 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3kra h ARG 144 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kra h ARG 144 CO 0.01 0.27 -0.04 0.00 -1.07 0.00 0.00 179.97 179.13 3kra h ALA 145 N 0.61 1.58 -0.18 0.04 0.00 -1.00 -0.80 119.26 119.51 3kra h ALA 145 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kra h ALA 145 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kra h ALA 145 CO 0.01 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3kra n GLY 146 N -1.04 0.43 0.91 0.00 0.00 -0.10 -0.27 105.19 105.12 3kra n GLY 146 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 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 1.17 0.32 0.31 -0.02 0.00 -0.30 -4.41 105.19 102.26 3kra n GLY 147 Ca 0.16 -1.91 0.14 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 -0.53 1.61 0.13 -1.87 -1.48 132.00 129.86 3kra h PRO 148 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3kra h PRO 148 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 3kra h PRO 148 CO 0.08 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.24 3kra n GLU 149 N -4.40 2.59 0.00 0.86 1.02 -1.26 -3.28 120.64 116.17 3kra n GLU 149 Ca 0.02 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.76 3kra n GLU 149 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.43 1.22 0.36 0.62 0.00 -0.59 -4.74 105.19 103.49 3kra n GLY 150 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.81 -0.67 1.61 1.85 -0.60 -1.45 114.93 116.49 3kra h MET 151 Ca 0.00 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.02 3kra h MET 151 Cb 0.00 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 31.81 3kra h MET 151 CO 0.00 0.54 0.35 0.82 -0.40 0.00 0.00 176.91 178.22 3kra h ILE 152 N 0.84 1.21 -0.84 1.77 2.04 -1.68 0.36 117.51 121.20 3kra h ILE 152 Ca 0.53 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3kra h ILE 152 Cb 0.73 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3kra h ILE 152 CO -0.31 0.23 0.45 0.28 0.00 0.00 0.00 178.15 178.80 3kra h SER 153 N 0.93 1.05 -0.36 1.72 0.02 -1.25 -0.65 113.55 115.01 3kra h SER 153 Ca 0.23 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3kra h SER 153 Cb 0.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3kra h SER 153 CO -0.04 0.85 -0.08 1.23 -1.14 0.00 0.00 176.83 177.66 3kra h GLY 154 N 1.17 0.75 1.05 -3.77 0.00 -1.30 0.14 103.07 101.11 3kra h GLY 154 Ca 0.29 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3kra h GLY 154 CO -0.05 0.56 0.61 1.41 0.00 0.00 0.00 176.54 179.08 3kra h LEU 155 N 0.49 1.05 0.01 3.11 3.38 -0.76 0.20 115.31 122.80 3kra h LEU 155 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kra h LEU 155 Cb 0.59 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kra h LEU 155 CO 0.03 0.75 -0.00 -0.74 0.09 0.00 0.00 178.44 178.57 3kra h HIS 156 N 1.23 -0.01 0.00 1.13 2.76 -0.67 -3.22 115.15 116.37 3kra h HIS 156 Ca 0.35 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.47 3kra h HIS 156 Cb -0.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 3kra h HIS 156 CO -0.00 0.52 -0.23 0.00 -1.30 0.00 0.00 177.93 176.92 3kra h ARG 157 N -0.55 0.00 -0.73 5.26 2.47 -0.60 -2.69 114.38 117.54 3kra h ARG 157 Ca -0.00 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 3kra h ARG 157 Cb 0.53 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 3kra h ARG 157 CO 0.00 0.23 0.48 1.49 0.56 0.00 0.00 179.97 182.73 3kra h GLU 158 N 0.00 0.78 0.00 0.04 4.81 -0.60 -0.64 114.58 118.97 3kra h GLU 158 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3kra h GLU 158 Cb 0.45 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3kra h GLU 158 CO 0.03 0.52 0.00 0.39 -0.73 0.00 0.00 179.01 179.22 3kra n GLU 159 N -4.47 0.07 0.00 1.92 1.02 -1.01 -1.51 120.64 116.65 3kra n GLU 159 Ca 0.10 0.47 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 3kra n GLU 159 Cb 0.19 -1.67 0.29 0.00 -0.02 0.00 0.00 31.44 30.23 3kra n GLU 159 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kra n GLU 160 N -1.81 0.35 -2.28 3.49 1.02 -0.25 -4.91 120.64 116.25 3kra n GLU 160 Ca 0.01 -0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.53 3kra n GLU 160 Cb 0.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.79 3.16 -0.22 -3.67 1.01 -0.57 -5.02 121.20 113.10 3kra s ILE 161 Ca 0.16 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.90 3kra s ILE 161 Cb 0.18 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3kra s ILE 161 CO 0.63 0.23 -0.09 -0.69 0.00 0.00 0.00 174.94 175.02 3kra s VAL 162 N -0.79 2.83 0.22 2.92 1.01 -1.26 -5.06 120.40 120.26 3kra s VAL 162 Ca 0.49 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 61.35 3kra s VAL 162 Cb -0.36 -2.32 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 3kra s VAL 162 CO 0.44 0.38 1.40 0.47 0.00 0.00 0.00 175.10 177.79 3kra n ASP 163 N 4.70 2.59 0.00 3.32 8.00 -1.26 -0.84 116.55 133.06 3kra n ASP 163 Ca -0.18 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.45 3kra n ASP 163 Cb 0.49 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3kra n ASP 163 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kra n GLY 164 N 2.32 2.01 1.78 0.44 0.00 -1.18 -4.79 105.19 105.78 3kra n GLY 164 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.34 -4.12 1.61 5.15 -0.02 -5.03 115.26 116.18 3kra n ASN 165 Ca 0.00 -3.38 -0.21 0.00 -0.60 0.00 0.00 54.58 50.40 3kra n ASN 165 Cb 0.00 -0.40 -0.14 0.00 -0.53 0.00 0.00 39.78 38.71 3kra n ASN 165 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kra s THR 166 N -3.82 1.07 0.67 -0.44 2.01 -1.12 -4.71 115.64 109.32 3kra s THR 166 Ca 0.43 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 3kra s THR 166 Cb 0.38 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.96 3kra s THR 166 CO -0.01 0.13 1.11 -0.94 -0.69 0.00 0.00 174.62 174.21 3kra s SER 167 N -0.78 5.03 0.40 3.53 1.04 -1.26 -4.89 113.70 116.77 3kra s SER 167 Ca 0.03 2.00 0.09 0.00 0.48 0.00 0.00 55.95 58.55 3kra s SER 167 Cb -0.07 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 64.33 3kra s SER 167 CO 0.00 -1.69 1.97 -0.07 0.98 0.00 0.00 173.24 174.44 3kra h LEU 168 N -0.07 0.29 -0.72 2.42 3.38 -1.99 -2.17 115.31 116.45 3kra h LEU 168 Ca -0.47 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3kra h LEU 168 Cb 1.25 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3kra h LEU 168 CO 0.54 0.35 0.42 0.44 0.09 0.00 0.00 178.44 180.28 3kra h ASP 169 N 0.31 0.88 -0.25 -0.43 3.32 -1.99 0.83 116.42 119.09 3kra h ASP 169 Ca 0.07 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3kra h ASP 169 Cb 0.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3kra h ASP 169 CO 0.01 0.70 -0.12 0.15 -1.72 0.00 0.00 179.24 178.26 3kra h PHE 170 N 0.99 0.59 -0.70 4.55 3.57 -1.85 -2.12 116.94 121.97 3kra h PHE 170 Ca 0.26 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3kra h PHE 170 Cb -0.01 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3kra h PHE 170 CO -0.01 0.77 0.24 0.82 -2.23 0.00 0.00 178.31 177.91 3kra h ILE 171 N 0.24 1.25 -0.67 1.41 2.04 -1.26 -1.14 117.51 119.38 3kra h ILE 171 Ca 0.06 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3kra h ILE 171 Cb 0.62 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3kra h ILE 171 CO 0.04 0.33 0.37 -0.08 0.00 0.00 0.00 178.15 178.81 3kra h GLU 172 N 1.01 0.93 -0.48 2.37 4.81 -0.77 -0.62 114.58 121.82 3kra h GLU 172 Ca 0.23 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kra h GLU 172 Cb 0.27 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3kra h GLU 172 CO -0.01 0.69 0.28 -0.92 -0.73 0.00 0.00 179.01 178.32 3kra h TYR 173 N 0.91 0.65 -0.75 0.92 3.20 -0.78 0.69 116.97 121.82 3kra h TYR 173 Ca 0.24 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3kra h TYR 173 Cb 0.03 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 3kra h TYR 173 CO -0.01 0.48 0.49 0.28 -1.64 0.00 0.00 178.16 177.76 3kra h VAL 174 N 0.64 1.19 -0.33 1.81 2.07 -0.80 -1.68 116.25 119.16 3kra h VAL 174 Ca 0.17 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 3kra h VAL 174 Cb 0.03 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3kra h VAL 174 CO -0.03 0.19 -0.36 0.00 0.02 0.00 0.00 177.57 177.38 3kra h LYS 176 N 0.63 1.09 0.09 0.00 3.64 -0.24 0.47 116.57 122.24 3kra h LYS 176 Ca 0.06 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 3kra h LYS 176 Cb 0.91 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3kra h LYS 176 CO 0.08 0.87 -0.68 0.87 -2.27 0.00 0.00 179.45 178.32 3kra h LYS 177 N 1.07 0.19 -0.52 1.90 1.79 -1.21 0.18 116.57 119.97 3kra h LYS 177 Ca 0.25 -0.32 -0.12 0.00 -2.18 0.00 0.00 60.65 58.27 3kra h LYS 177 Cb 0.17 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 3kra h LYS 177 CO -0.03 1.16 -0.16 -0.22 -1.08 0.00 0.00 179.45 179.12 3kra h LYS 178 N -0.58 1.02 0.00 3.15 3.64 -0.92 -3.17 116.57 119.71 3kra h LYS 178 Ca -0.13 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 3kra h LYS 178 Cb 1.46 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 3kra h LYS 178 CO 0.08 1.09 -1.20 0.66 -2.27 0.00 0.00 179.45 177.81 3kra n TYR 179 N -4.13 0.00 -0.17 1.91 4.02 -0.01 -4.74 117.16 114.03 3kra n TYR 179 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 3kra n TYR 179 Cb 0.43 -0.13 0.08 0.00 -0.02 0.00 0.00 39.34 39.70 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 -0.01 0.65 1.50 2.72 0.00 -0.65 -1.79 103.07 105.49 3kra h GLY 180 Ca -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3kra h GLY 180 CO -0.04 -0.09 0.15 0.83 0.00 0.00 0.00 176.54 177.39 3kra h GLU 181 N 0.23 0.65 -0.01 4.80 4.39 -1.15 0.34 114.58 123.83 3kra h GLU 181 Ca 0.27 -0.10 -0.21 0.00 0.34 0.00 0.00 59.36 59.66 3kra h GLU 181 Cb 0.38 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3kra h GLU 181 CO -0.36 0.56 -0.89 1.98 -1.16 0.00 0.00 179.01 179.13 3kra h MET 182 N 0.64 0.36 -0.14 2.33 4.05 -1.75 -1.29 114.93 119.13 3kra h MET 182 Ca 0.15 -0.37 -0.15 0.00 -0.28 0.00 0.00 59.70 59.05 3kra h MET 182 Cb 0.17 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3kra h MET 182 CO -0.01 1.05 -0.55 0.45 0.23 0.00 0.00 176.91 178.08 3kra h HIS 183 N 0.21 0.51 -0.53 1.39 3.86 -0.74 0.12 115.15 119.96 3kra h HIS 183 Ca -0.06 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 58.91 3kra h HIS 183 Cb 1.52 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.87 3kra h HIS 183 CO 0.05 0.86 0.12 0.00 0.86 0.00 0.00 177.93 179.83 3kra h ALA 184 N 1.10 0.71 0.41 2.45 0.00 -0.89 -1.84 119.26 121.20 3kra h ALA 184 Ca 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kra h ALA 184 Cb 1.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kra h ALA 184 CO 0.09 0.41 -0.34 0.00 0.00 0.00 0.00 179.25 179.41 3kra h GLY 186 N -0.76 0.07 0.98 0.00 0.00 -0.61 0.13 103.07 102.89 3kra h GLY 186 Ca -0.04 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3kra h GLY 186 CO -0.02 -0.18 0.29 0.00 0.00 0.00 0.00 176.54 176.63 3kra h ALA 187 N 1.11 0.65 -0.19 3.60 0.00 -1.27 -0.17 119.26 122.99 3kra h ALA 187 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kra h ALA 187 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kra h ALA 187 CO -0.43 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.07 3kra h ALA 188 N 1.13 0.24 -0.46 0.00 0.00 -0.36 -1.73 119.26 118.07 3kra h ALA 188 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kra h ALA 188 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kra h ALA 188 CO -0.03 -0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.31 3kra h GLY 190 N 0.58 1.14 0.92 0.00 0.00 -0.83 0.13 103.07 105.01 3kra h GLY 190 Ca 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kra h GLY 190 CO -0.07 0.20 0.10 0.00 0.00 0.00 0.00 176.54 176.77 3kra h ALA 191 N 1.38 0.46 -0.23 3.60 0.00 -0.78 -0.69 119.26 123.00 3kra h ALA 191 Ca 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kra h ALA 191 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kra h ALA 191 CO -0.19 0.10 0.13 0.82 0.00 0.00 0.00 179.25 180.11 3kra h ILE 192 N 0.41 1.03 0.00 0.00 2.04 -0.61 -0.66 117.51 119.72 3kra h ILE 192 Ca 0.11 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3kra h ILE 192 Cb 0.26 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3kra h ILE 192 CO -0.00 0.05 -0.17 -0.07 0.00 0.00 0.00 178.15 177.96 3kra h LEU 193 N 0.27 0.00 -0.50 1.44 3.38 -0.41 -1.87 115.31 117.63 3kra h LEU 193 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kra h LEU 193 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kra h LEU 193 CO -0.04 0.17 -0.08 0.61 0.09 0.00 0.00 178.44 179.19 3kra n GLY 194 N -0.26 -0.55 1.31 0.83 0.00 -0.30 -4.86 105.19 101.36 3kra n GLY 194 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.21 0.65 3.74 -0.02 0.00 -0.70 -3.84 105.19 106.23 3kra n GLY 195 Ca 0.17 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3kra n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kra s ALA 196 N -2.00 2.04 0.51 4.61 0.00 -0.29 -5.04 121.76 121.60 3kra s ALA 196 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 3kra s ALA 196 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 3kra s ALA 196 CO 0.00 -2.03 0.80 0.00 0.00 0.00 0.00 175.76 174.53 3kra s ALA 197 N -2.84 3.44 0.32 0.00 0.00 -1.26 -4.82 121.76 116.60 3kra s ALA 197 Ca 0.63 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.97 3kra s ALA 197 Cb -0.19 -2.48 0.90 0.00 0.00 0.00 0.00 23.12 21.35 3kra s ALA 197 CO 0.57 -0.53 1.71 0.93 0.00 0.00 0.00 175.76 178.44 3kra h GLU 198 N 0.12 0.49 -0.83 0.00 4.39 -1.99 -1.22 114.58 115.53 3kra h GLU 198 Ca -0.46 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 3kra h GLU 198 Cb 1.24 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 3kra h GLU 198 CO 0.60 0.32 0.44 1.49 -1.16 0.00 0.00 179.01 180.71 3kra h GLU 199 N 0.50 1.17 -0.19 2.33 4.81 -2.00 -1.34 114.58 119.87 3kra h GLU 199 Ca 0.65 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 3kra h GLU 199 Cb 1.28 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3kra h GLU 199 CO -0.51 0.88 -0.12 0.93 -0.73 0.00 0.00 179.01 179.45 3kra h GLU 200 N 1.17 0.42 -0.38 1.92 5.08 -1.62 -2.28 114.58 118.89 3kra h GLU 200 Ca 0.29 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3kra h GLU 200 Cb 0.06 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 3kra h GLU 200 CO -0.04 0.74 -0.14 0.82 -1.00 0.00 0.00 179.01 179.39 3kra h ILE 201 N 0.11 0.54 -0.61 3.13 2.04 -1.25 0.16 117.51 121.62 3kra h ILE 201 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3kra h ILE 201 Cb 0.63 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3kra h ILE 201 CO 0.03 0.00 0.38 -0.61 0.00 0.00 0.00 178.15 177.95 3kra h GLN 202 N -0.06 0.73 -0.48 2.37 5.75 -1.16 0.92 115.11 123.18 3kra h GLN 202 Ca 0.19 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 3kra h GLN 202 Cb 0.34 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3kra h GLN 202 CO -0.42 0.48 0.05 0.87 -2.65 0.00 0.00 178.83 177.16 3kra h LYS 203 N 0.75 0.82 -0.68 1.69 1.57 -0.81 0.12 116.57 120.03 3kra h LYS 203 Ca 0.24 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3kra h LYS 203 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3kra h LYS 203 CO -0.09 0.84 0.11 -0.07 -0.57 0.00 0.00 179.45 179.66 3kra h LEU 204 N 0.68 1.08 -0.31 2.94 3.38 -0.06 -0.98 115.31 122.04 3kra h LEU 204 Ca 0.14 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3kra h LEU 204 Cb 0.43 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3kra h LEU 204 CO 0.01 1.07 0.02 -0.09 0.09 0.00 0.00 178.44 179.54 3kra h ARG 205 N 1.05 0.11 -0.67 1.13 2.43 0.14 -0.79 114.38 117.78 3kra h ARG 205 Ca 0.21 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3kra h ARG 205 Cb 0.45 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3kra h ARG 205 CO 0.01 0.07 0.30 -0.91 -1.51 0.00 0.00 179.97 177.94 3kra h ASN 206 N 0.12 0.90 0.03 -3.80 2.35 -0.41 -0.96 115.58 113.80 3kra h ASN 206 Ca 0.15 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3kra h ASN 206 Cb 0.18 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3kra h ASN 206 CO -0.23 0.80 -0.06 0.15 -1.65 0.00 0.00 177.43 176.44 3kra h PHE 207 N 0.94 -0.15 -0.89 1.19 3.57 -0.82 -1.76 116.94 119.01 3kra h PHE 207 Ca 0.23 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.83 3kra h PHE 207 Cb 0.15 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 3kra h PHE 207 CO 0.01 -0.10 0.53 0.78 -2.23 0.00 0.00 178.31 177.30 3kra h GLY 208 N -0.12 1.40 0.69 2.40 0.00 -0.80 0.27 103.07 106.90 3kra h GLY 208 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3kra h GLY 208 CO -0.04 0.16 -0.39 -2.00 0.00 0.00 0.00 176.54 174.27 3kra h LEU 209 N 0.88 -1.03 -0.80 3.11 5.85 -0.64 0.25 115.31 122.93 3kra h LEU 209 Ca 0.43 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.21 3kra h LEU 209 Cb 0.38 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3kra h LEU 209 CO -0.24 -0.56 0.44 1.88 -0.34 0.00 0.00 178.44 179.61 3kra h TYR 210 N -0.86 1.11 -0.23 1.25 0.99 -0.95 -1.34 116.97 116.94 3kra h TYR 210 Ca -0.05 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 3kra h TYR 210 Cb 0.74 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 38.10 3kra h TYR 210 CO -0.17 0.78 0.14 0.37 -0.00 0.00 0.00 178.16 179.27 3kra h GLN 211 N 1.12 0.31 -0.60 4.88 -0.00 -0.20 -1.14 115.11 119.47 3kra h GLN 211 Ca 0.28 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.85 3kra h GLN 211 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.43 3kra h GLN 211 CO -0.04 0.24 0.13 0.78 0.00 0.00 0.00 178.83 179.93 3kra h GLY 212 N 0.29 1.01 1.03 2.39 0.00 -0.33 -0.69 103.07 106.77 3kra h GLY 212 Ca 0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3kra h GLY 212 CO -0.02 0.57 0.49 -0.84 0.00 0.00 0.00 176.54 176.74 3kra h THR 213 N 0.90 1.26 0.03 4.70 2.02 -0.73 -1.60 112.91 119.49 3kra h THR 213 Ca 0.19 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kra h THR 213 Cb 0.34 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3kra h THR 213 CO 0.00 0.30 -0.01 0.25 0.37 0.00 0.00 175.52 176.42 3kra h LEU 214 N 1.26 -0.03 -1.19 2.58 5.85 -0.78 -1.45 115.31 121.55 3kra h LEU 214 Ca 0.32 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3kra h LEU 214 Cb 0.04 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3kra h LEU 214 CO -0.05 0.09 0.56 -0.09 -0.34 0.00 0.00 178.44 178.61 3kra h ARG 215 N -0.15 0.98 -0.29 1.25 9.65 -0.92 -0.87 114.38 124.04 3kra h ARG 215 Ca -0.00 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.65 3kra h ARG 215 Cb 0.14 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3kra h ARG 215 CO 0.01 0.65 -0.47 0.78 2.80 0.00 0.00 179.97 183.74 3kra h GLY 216 N 1.01 0.90 -0.17 2.80 0.00 -1.14 -2.09 103.07 104.39 3kra h GLY 216 Ca 0.36 -1.02 0.13 0.00 0.00 0.00 0.00 47.33 46.80 3kra h GLY 216 CO -0.12 0.92 -0.08 1.98 0.00 0.00 0.00 176.54 179.23 3kra h MET 217 N 0.59 0.05 -0.58 4.80 -1.53 -0.44 -0.63 114.93 117.19 3kra h MET 217 Ca 0.02 -0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.20 3kra h MET 217 Cb 1.07 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 32.09 3kra h MET 217 CO 0.11 0.03 0.05 0.52 0.14 0.00 0.00 176.91 177.76 3kra h MET 218 N 0.05 0.99 0.00 0.39 2.07 -1.05 -1.93 114.93 115.45 3kra h MET 218 Ca 0.31 -0.29 -0.01 0.00 -2.07 0.00 0.00 59.70 57.65 3kra h MET 218 Cb 0.50 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.12 3kra h MET 218 CO -0.59 0.96 -0.03 0.93 1.07 0.00 0.00 176.91 179.26 3kra h GLU 219 N 0.89 0.00 0.00 1.72 4.39 -0.45 -2.32 114.58 118.81 3kra h GLU 219 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3kra h GLU 219 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3kra h GLU 219 CO 0.02 0.03 -0.90 -1.33 -1.16 0.00 0.00 179.01 175.66 3kra n MET 220 N -4.02 0.16 -0.04 2.33 2.81 -0.49 -4.41 117.12 113.46 3kra n MET 220 Ca -0.03 -0.00 0.25 0.00 -1.81 0.00 0.00 57.70 56.10 3kra n MET 220 Cb 0.11 -1.55 0.70 0.00 -0.71 0.00 0.00 33.22 31.77 3kra n MET 220 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3kra h LYS 221 N 0.00 0.00 0.00 0.03 1.57 -0.77 -0.21 116.57 117.19 3kra h LYS 221 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kra h LYS 221 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3kra h LYS 221 CO 0.00 0.00 -0.22 -0.91 -0.57 0.00 0.00 179.45 177.75 3kra h ASN 222 N 0.00 0.00 -0.00 0.86 2.35 -1.77 -3.16 115.58 113.85 3kra h ASN 222 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3kra h ASN 222 Cb 1.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.93 3kra h ASN 222 CO -0.00 0.22 -0.64 -1.20 -1.65 0.00 0.00 177.43 174.16 3kra n SER 223 N -3.52 1.16 -3.17 5.81 7.64 -0.10 -4.67 113.62 116.78 3kra n SER 223 Ca -0.01 -1.08 -0.20 0.00 1.01 0.00 0.00 58.87 58.59 3kra n SER 223 Cb 0.38 0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 64.34 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 -0.91 -0.23 -1.54 1.43 8.25 -1.18 -3.09 115.22 117.96 3kra n HIS 224 Ca 0.05 -3.61 -0.17 0.00 -0.26 0.00 0.00 57.72 53.72 3kra n HIS 224 Cb 0.31 -0.30 -0.12 0.00 1.12 0.00 0.00 29.99 31.00 3kra n HIS 224 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kra n GLN 225 N 0.85 0.38 -0.58 -0.41 1.13 -1.22 -3.74 117.38 113.79 3kra n GLN 225 Ca 0.22 -0.53 -0.02 0.00 -1.94 0.00 0.00 57.00 54.74 3kra n GLN 225 Cb 0.60 -2.76 -0.02 0.00 0.11 0.00 0.00 30.24 28.17 3kra n GLN 225 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3kra n LEU 226 N 14.13 -0.31 -4.14 1.08 7.94 -1.26 -5.05 117.00 129.38 3kra n LEU 226 Ca 0.54 -1.05 -0.14 0.00 -1.11 0.00 0.00 56.01 54.25 3kra n LEU 226 Cb 0.33 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 3kra n LEU 226 CO 0.74 1.03 1.05 -0.38 -1.11 0.00 0.00 177.39 178.72 3kra n ILE 227 N 0.00 0.00 -2.39 1.96 5.41 -1.25 -4.85 119.36 118.25 3kra n ILE 227 Ca -0.09 -0.20 -0.42 0.00 1.00 0.00 0.00 62.75 63.04 3kra n ILE 227 Cb 0.46 -1.19 -0.03 0.00 -0.71 0.00 0.00 39.64 38.17 3kra n ILE 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kra s ASP 228 N 5.19 7.02 0.16 4.38 2.15 -1.26 -4.89 116.67 129.42 3kra s ASP 228 Ca 0.46 1.99 0.24 0.00 0.43 0.00 0.00 52.55 55.68 3kra s ASP 228 Cb 0.01 -2.57 0.91 0.00 -0.30 0.00 0.00 42.92 40.97 3kra s ASP 228 CO 0.14 -0.55 1.74 1.21 -0.17 0.00 0.00 175.17 177.55 3kra n GLU 229 N 4.52 0.16 -0.13 4.34 2.13 -1.26 -3.23 120.64 127.17 3kra n GLU 229 Ca 0.10 0.24 -0.12 0.00 0.66 0.00 0.00 57.16 58.05 3kra n GLU 229 Cb 0.46 -1.73 -0.02 0.00 0.27 0.00 0.00 31.44 30.42 3kra n GLU 229 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3kra h ASN 230 N 0.00 0.83 0.46 4.31 2.35 -1.98 0.17 115.58 121.73 3kra h ASN 230 Ca 0.00 -0.39 -0.21 0.00 -0.55 0.00 0.00 56.30 55.15 3kra h ASN 230 Cb 0.52 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3kra h ASN 230 CO 0.00 1.04 -0.91 0.40 -1.65 0.00 0.00 177.43 176.32 3kra h ILE 231 N 0.62 1.45 0.12 2.81 1.08 -1.98 -2.17 117.51 119.45 3kra h ILE 231 Ca 0.09 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 3kra h ILE 231 Cb 0.71 2.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.89 3kra h ILE 231 CO 0.05 0.75 -0.10 0.40 -0.69 0.00 0.00 178.15 178.56 3kra h ILE 232 N 0.17 0.77 -0.28 -0.67 2.04 -1.50 -2.79 117.51 115.25 3kra h ILE 232 Ca -0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3kra h ILE 232 Cb 1.54 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3kra h ILE 232 CO 0.15 0.00 0.04 1.23 0.00 0.00 0.00 178.15 179.56 3kra h GLY 233 N -0.23 0.50 0.36 5.37 0.00 -0.67 -2.35 103.07 106.05 3kra h GLY 233 Ca -0.00 -0.34 0.17 0.00 0.00 0.00 0.00 47.33 47.15 3kra h GLY 233 CO -0.02 0.32 0.60 1.70 0.00 0.00 0.00 176.54 179.14 3kra h LYS 234 N 0.28 0.66 -0.03 4.80 3.64 -1.36 -1.27 116.57 123.30 3kra h LYS 234 Ca 0.08 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3kra h LYS 234 Cb 0.35 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3kra h LYS 234 CO 0.01 0.44 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.22 3kra h LEU 235 N 0.68 0.34 -1.90 5.20 3.38 -1.42 -2.90 115.31 118.70 3kra h LEU 235 Ca 0.50 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kra h LEU 235 Cb 0.85 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kra h LEU 235 CO -0.25 1.01 0.01 0.07 0.09 0.00 0.00 178.44 179.37 3kra h LYS 236 N -0.30 0.08 -0.47 1.13 2.10 -1.02 -0.05 116.57 118.04 3kra h LYS 236 Ca -0.03 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.55 3kra h LYS 236 Cb 1.04 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 3kra h LYS 236 CO 0.07 0.07 0.07 1.49 -2.00 0.00 0.00 179.45 179.15 3kra h GLU 237 N 0.08 0.78 -0.04 0.07 4.81 -1.25 0.23 114.58 119.26 3kra h GLU 237 Ca 0.02 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 58.89 3kra h GLU 237 Cb 0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3kra h GLU 237 CO -0.00 0.80 -0.63 -0.07 -0.73 0.00 0.00 179.01 178.38 3kra h LEU 238 N 0.65 0.17 0.00 1.64 3.38 -1.03 -1.29 115.31 118.83 3kra h LEU 238 Ca 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kra h LEU 238 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kra h LEU 238 CO 0.01 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.29 3kra n ALA 239 N -2.45 -0.18 -0.30 1.53 0.00 -0.15 -2.44 120.51 116.52 3kra n ALA 239 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3kra n ALA 239 Cb 0.63 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.30 3kra n ALA 239 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kra h LEU 240 N 0.00 -0.40 -0.77 0.00 3.38 -0.68 0.90 115.31 117.74 3kra h LEU 240 Ca 0.00 0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.37 3kra h LEU 240 Cb 0.00 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 3kra h LEU 240 CO 0.00 -0.25 0.26 -0.08 0.09 0.00 0.00 178.44 178.46 3kra h GLU 241 N 0.07 0.35 0.00 1.13 4.57 -1.33 0.14 114.58 119.51 3kra h GLU 241 Ca 0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 3kra h GLU 241 Cb 0.96 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3kra h GLU 241 CO -0.79 0.23 0.00 0.93 -1.18 0.00 0.00 179.01 178.21 3kra h GLU 242 N 0.36 0.00 0.00 1.92 4.39 0.12 -2.41 114.58 118.96 3kra h GLU 242 Ca 0.44 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.11 3kra h GLU 242 Cb 0.73 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3kra h GLU 242 CO -0.47 0.00 -0.32 -0.07 -1.16 0.00 0.00 179.01 176.99 3kra h LEU 243 N 0.00 0.00 -9.37 1.33 3.38 -0.46 -3.45 115.31 106.74 3kra h LEU 243 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3kra h LEU 243 Cb 0.27 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.04 3kra h LEU 243 CO 0.00 0.12 1.23 0.61 0.09 0.00 0.00 178.44 180.49 3kra n GLY 244 N 1.15 1.86 0.00 0.83 0.00 -0.91 -1.71 105.19 106.41 3kra n GLY 244 Ca 0.02 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3kra n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kra n GLY 245 N 4.53 1.43 0.00 -0.02 0.00 -1.26 -4.93 105.19 104.94 3kra n GLY 245 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.02 0.00 0.00 1.61 3.72 -0.69 -5.09 117.46 116.99 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 -0.58 0.00 -2.17 1.38 8.25 -1.26 -4.48 115.22 116.37 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 0.11 -0.15 0.37 -1.41 0.00 -1.26 -4.79 105.19 98.05 3kra n GLY 248 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 2.59 1.00 -0.21 1.61 1.63 -1.95 -2.16 116.57 119.07 3kra h LYS 249 Ca 0.00 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 3kra h LYS 249 Cb 0.00 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 3kra h LYS 249 CO 0.00 0.66 -0.10 -0.91 -3.45 0.00 0.00 179.45 175.65 3kra h ASN 250 N 1.03 0.44 0.00 4.20 4.21 -1.91 14.13 115.58 137.68 3kra h ASN 250 Ca 0.43 -0.41 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3kra h ASN 250 Cb 0.31 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3kra h ASN 250 CO -0.19 0.76 0.11 0.00 -1.29 0.00 0.00 177.43 176.83 3kra n ALA 251 N -2.40 0.78 -1.11 -0.83 0.00 -0.84 -1.83 120.51 114.28 3kra n ALA 251 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3kra n ALA 251 Cb 0.33 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3kra n ALA 251 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kra n GLU 252 N -1.30 0.00 0.05 0.00 2.13 -0.31 -4.52 120.64 116.68 3kra n GLU 252 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3kra n GLU 252 Cb 0.11 -0.40 -0.13 0.00 0.27 0.00 0.00 31.44 31.30 3kra n GLU 252 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 3kra h LEU 253 N 0.00 0.08 -0.52 4.31 8.10 3.26 -2.78 115.31 127.76 3kra h LEU 253 Ca 0.00 -0.10 -0.15 0.00 0.11 0.00 0.00 57.88 57.75 3kra h LEU 253 Cb 0.47 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 3kra h LEU 253 CO 0.00 1.08 -0.38 0.24 -4.11 0.00 0.00 178.44 175.27 3kra h MET 254 N 0.01 0.78 -1.06 0.17 2.86 -1.53 -2.47 114.93 113.68 3kra h MET 254 Ca -0.10 -0.40 0.28 0.00 -2.06 0.00 0.00 59.70 57.42 3kra h MET 254 Cb 1.86 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 33.43 3kra h MET 254 CO 0.13 1.03 0.68 0.77 1.06 0.00 0.00 176.91 180.57 3kra h SER 255 N 0.64 0.45 -0.18 1.22 0.02 -1.69 1.10 113.55 115.11 3kra h SER 255 Ca 0.06 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 3kra h SER 255 Cb 0.94 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3kra h SER 255 CO 0.09 0.05 0.16 0.28 -1.14 0.00 0.00 176.83 176.27 3kra h SER 256 N 0.38 0.00 1.00 3.07 0.02 -1.40 -1.16 113.55 115.46 3kra h SER 256 Ca 0.63 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.48 3kra h SER 256 Cb 1.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 3kra h SER 256 CO -0.33 0.00 -0.45 -0.07 -1.14 0.00 0.00 176.83 174.83 3kra h LEU 257 N 0.00 0.00 -3.78 5.07 3.38 0.11 -3.16 115.31 116.94 3kra h LEU 257 Ca 0.09 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.65 3kra h LEU 257 Cb 0.41 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.92 3kra h LEU 257 CO -0.00 0.45 0.40 1.33 0.09 0.00 0.00 178.44 180.71 3kra n VAL 258 N -3.45 2.99 1.42 1.22 0.24 -0.44 -5.02 118.33 115.29 3kra n VAL 258 Ca 0.00 -2.25 0.14 0.00 -2.04 0.00 0.00 64.34 60.19 3kra n VAL 258 Cb 0.60 -0.44 0.46 0.00 -1.47 0.00 0.00 33.84 32.98 3kra n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69