#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekt s LEU 2 N 0.00 4.06 0.77 1.34 1.02 -1.26 -5.06 118.68 119.55 2ekt s LEU 2 Ca 0.00 1.99 -0.11 0.00 0.02 0.00 0.00 54.13 56.02 2ekt s LEU 2 Cb 0.00 -4.29 0.05 0.00 0.02 0.00 0.00 46.19 41.97 2ekt s LEU 2 CO 0.00 -0.55 1.09 -0.94 0.02 0.00 0.00 176.35 175.98 2ekt s SER 3 N -1.70 4.77 0.24 2.29 1.04 -1.26 -4.89 113.70 114.18 2ekt s SER 3 Ca 0.60 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.29 2ekt s SER 3 Cb -0.20 -2.09 0.25 0.00 0.10 0.00 0.00 66.02 64.08 2ekt s SER 3 CO 0.25 -1.79 1.90 -0.08 0.98 0.00 0.00 173.24 174.49 2ekt h GLU 4 N -0.97 1.14 -0.95 4.02 4.57 -1.99 -0.68 114.58 119.74 2ekt h GLU 4 Ca -0.46 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 57.69 2ekt h GLU 4 Cb 1.26 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 29.53 2ekt h GLU 4 CO 0.60 0.76 0.62 0.78 -1.18 0.00 0.00 179.01 180.58 2ekt h GLY 5 N 1.18 1.39 0.96 1.92 0.00 -1.99 0.41 103.07 106.94 2ekt h GLY 5 Ca 0.35 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2ekt h GLY 5 CO -0.10 0.39 0.20 0.83 0.00 0.00 0.00 176.54 177.87 2ekt h GLU 6 N 1.18 0.63 -0.82 4.80 5.08 -1.77 -1.61 114.58 122.08 2ekt h GLU 6 Ca 0.38 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2ekt h GLU 6 Cb 0.02 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2ekt h GLU 6 CO -0.13 0.55 0.50 -1.49 -1.00 0.00 0.00 179.01 177.45 2ekt h TRP 7 N 0.56 1.06 -0.49 4.33 4.06 -0.58 -1.18 115.95 123.71 2ekt h TRP 7 Ca 0.15 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 61.04 2ekt h TRP 7 Cb 0.13 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 27.92 2ekt h TRP 7 CO -0.01 0.70 0.04 1.96 -3.56 0.00 0.00 178.44 177.56 2ekt h GLN 8 N 1.12 0.80 -0.80 0.49 1.08 -0.57 0.54 115.11 117.78 2ekt h GLN 8 Ca 0.29 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2ekt h GLN 8 Cb -0.07 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 2ekt h GLN 8 CO -0.06 0.78 0.32 -0.07 -0.95 0.00 0.00 178.83 178.85 2ekt h LEU 9 N 0.75 1.10 0.01 1.46 3.38 -0.54 -0.59 115.31 120.88 2ekt h LEU 9 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ekt h LEU 9 Cb 0.41 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ekt h LEU 9 CO 0.01 0.97 -0.00 0.58 0.09 0.00 0.00 178.44 180.09 2ekt h VAL 10 N 1.16 1.06 0.00 1.22 2.07 -0.77 -2.97 116.25 118.04 2ekt h VAL 10 Ca 0.27 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 2ekt h VAL 10 Cb 0.22 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2ekt h VAL 10 CO -0.02 0.06 -0.65 -0.07 0.02 0.00 0.00 177.57 176.91 2ekt h LEU 11 N -0.10 0.00 -0.49 2.57 3.38 -0.75 0.50 115.31 120.41 2ekt h LEU 11 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ekt h LEU 11 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2ekt h LEU 11 CO 0.00 0.65 0.26 -0.74 0.09 0.00 0.00 178.44 178.70 2ekt h HIS 12 N 0.00 0.69 -0.38 1.13 2.76 -1.13 -0.57 115.15 117.64 2ekt h HIS 12 Ca -0.01 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 2ekt h HIS 12 Cb 1.23 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 2ekt h HIS 12 CO 0.00 0.52 -0.39 0.28 -1.30 0.00 0.00 177.93 177.03 2ekt h VAL 13 N 0.66 1.27 -0.78 5.26 2.07 -1.33 -2.99 116.25 120.41 2ekt h VAL 13 Ca 0.17 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 66.20 2ekt h VAL 13 Cb 0.06 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2ekt h VAL 13 CO -0.03 0.52 0.51 -0.25 0.02 0.00 0.00 177.57 178.34 2ekt h TRP 14 N 0.75 0.83 0.00 1.57 2.91 -0.72 -0.03 115.95 121.25 2ekt h TRP 14 Ca 0.06 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 2ekt h TRP 14 Cb 0.99 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 29.37 2ekt h TRP 14 CO 0.06 0.43 -0.04 0.00 -1.03 0.00 0.00 178.44 177.87 2ekt h ALA 15 N 1.59 1.62 -0.33 2.65 0.00 -0.95 -0.13 119.26 123.71 2ekt h ALA 15 Ca 0.34 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2ekt h ALA 15 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ekt h ALA 15 CO -0.12 0.05 -0.13 0.87 0.00 0.00 0.00 179.25 179.91 2ekt h LYS 16 N 0.00 0.67 -0.77 0.00 1.57 -1.04 -3.02 116.57 113.98 2ekt h LYS 16 Ca -0.00 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2ekt h LYS 16 Cb 0.08 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2ekt h LYS 16 CO 0.00 0.87 0.47 0.28 -0.57 0.00 0.00 179.45 180.50 2ekt h VAL 17 N 0.44 1.03 0.00 0.50 2.07 -0.93 -2.66 116.25 116.70 2ekt h VAL 17 Ca 0.08 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2ekt h VAL 17 Cb 0.66 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2ekt h VAL 17 CO 0.04 0.16 -0.04 -0.33 0.02 0.00 0.00 177.57 177.43 2ekt h GLU 18 N 0.87 0.00 0.00 1.57 5.08 -1.08 -0.97 114.58 120.05 2ekt h GLU 18 Ca 0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2ekt h GLU 18 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ekt h GLU 18 CO -0.16 0.04 -0.19 0.00 -1.00 0.00 0.00 179.01 177.70 2ekt h ALA 19 N 1.96 1.46 -0.83 3.43 0.00 -1.40 -3.37 119.26 120.51 2ekt h ALA 19 Ca -0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2ekt h ALA 19 Cb 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.66 2ekt h ALA 19 CO 0.00 0.23 -0.66 -3.47 0.00 0.00 0.00 179.25 175.36 2ekt n ASP 20 N -3.98 -2.22 -0.09 0.00 2.03 -0.42 -5.01 116.55 106.87 2ekt n ASP 20 Ca -0.02 -3.01 -0.10 0.00 0.52 0.00 0.00 54.79 52.17 2ekt n ASP 20 Cb 0.27 1.12 -0.03 0.00 -0.72 0.00 0.00 41.12 41.76 2ekt n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2ekt h VAL 21 N 3.41 1.18 -0.59 5.18 2.07 -1.59 -2.03 116.25 123.89 2ekt h VAL 21 Ca -0.02 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2ekt h VAL 21 Cb 1.01 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2ekt h VAL 21 CO 0.29 0.19 0.35 0.00 0.02 0.00 0.00 177.57 178.42 2ekt h ALA 22 N 0.94 0.77 -0.41 1.67 0.00 -1.90 0.95 119.26 121.28 2ekt h ALA 22 Ca 0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2ekt h ALA 22 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ekt h ALA 22 CO -0.01 0.08 -0.35 0.78 0.00 0.00 0.00 179.25 179.76 2ekt h GLY 23 N 0.70 1.04 1.06 0.00 0.00 -1.92 -1.10 103.07 102.85 2ekt h GLY 23 Ca 0.24 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 2ekt h GLY 23 CO -0.11 0.93 0.50 0.45 0.00 0.00 0.00 176.54 178.31 2ekt h HIS 24 N 0.78 1.21 -0.72 5.60 3.86 -1.14 -1.98 115.15 122.76 2ekt h HIS 24 Ca 0.07 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2ekt h HIS 24 Cb 0.94 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 2ekt h HIS 24 CO 0.06 0.83 0.44 0.78 0.86 0.00 0.00 177.93 180.89 2ekt h GLY 25 N 1.25 1.04 0.95 2.45 0.00 -0.48 -0.14 103.07 108.14 2ekt h GLY 25 Ca 0.32 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2ekt h GLY 25 CO -0.05 0.41 0.09 1.46 0.00 0.00 0.00 176.54 178.45 2ekt h GLN 26 N 0.97 0.21 -0.58 4.80 4.20 -0.98 -1.30 115.11 122.44 2ekt h GLN 26 Ca 0.26 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.96 2ekt h GLN 26 Cb -0.04 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2ekt h GLN 26 CO -0.05 0.20 0.37 -0.44 -0.67 0.00 0.00 178.83 178.24 2ekt h ASP 27 N 0.17 0.62 -0.11 1.46 3.32 -1.04 -0.72 116.42 120.11 2ekt h ASP 27 Ca 0.06 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2ekt h ASP 27 Cb 0.05 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2ekt h ASP 27 CO -0.01 0.44 0.01 0.40 -1.72 0.00 0.00 179.24 178.36 2ekt h ILE 28 N 0.74 1.24 -0.67 0.35 2.04 -0.87 -0.82 117.51 119.53 2ekt h ILE 28 Ca 0.22 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 2ekt h ILE 28 Cb -0.04 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2ekt h ILE 28 CO -0.07 0.22 0.11 -0.07 0.00 0.00 0.00 178.15 178.34 2ekt h LEU 29 N -0.06 1.06 -0.69 1.44 3.38 -1.14 -0.47 115.31 118.83 2ekt h LEU 29 Ca 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2ekt h LEU 29 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2ekt h LEU 29 CO 0.00 1.05 0.31 0.40 0.09 0.00 0.00 178.44 180.29 2ekt h ILE 30 N 1.02 1.24 -0.42 1.22 2.04 -1.10 -0.36 117.51 121.14 2ekt h ILE 30 Ca 0.20 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2ekt h ILE 30 Cb 0.44 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2ekt h ILE 30 CO 0.01 0.28 0.23 -0.09 0.00 0.00 0.00 178.15 178.58 2ekt h ARG 31 N 0.97 0.60 -0.29 2.37 9.65 -0.89 0.35 114.38 127.14 2ekt h ARG 31 Ca 0.23 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.10 2ekt h ARG 31 Cb 0.15 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 2ekt h ARG 31 CO -0.03 0.48 -0.09 1.25 2.80 0.00 0.00 179.97 184.38 2ekt h LEU 32 N 0.55 -0.34 -0.90 3.80 5.85 -0.66 0.10 115.31 123.71 2ekt h LEU 32 Ca 0.15 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 2ekt h LEU 32 Cb 0.07 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2ekt h LEU 32 CO -0.02 -0.12 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.33 2ekt h PHE 33 N -0.04 0.41 0.02 1.25 0.04 -0.74 0.02 116.94 117.90 2ekt h PHE 33 Ca 0.14 -0.10 -0.27 0.00 2.80 0.00 0.00 57.97 60.54 2ekt h PHE 33 Cb 0.25 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.33 2ekt h PHE 33 CO -0.30 0.68 -1.07 1.57 -0.60 0.00 0.00 178.31 178.59 2ekt h LYS 34 N 0.30 0.63 0.00 1.51 5.09 -0.71 -2.87 116.57 120.52 2ekt h LYS 34 Ca 0.03 -0.71 -0.19 0.00 0.09 0.00 0.00 60.65 59.88 2ekt h LYS 34 Cb 0.79 0.21 -0.02 0.00 0.10 0.00 0.00 32.23 33.31 2ekt h LYS 34 CO 0.06 1.29 -0.85 0.77 -2.09 0.00 0.00 179.45 178.64 2ekt h SER 35 N 0.34 0.17 -2.21 7.07 0.02 -0.84 -3.38 113.55 114.71 2ekt h SER 35 Ca -0.13 -0.14 -0.58 0.00 -0.84 0.00 0.00 61.79 60.10 2ekt h SER 35 Cb 1.72 -0.05 -0.39 0.00 0.14 0.00 0.00 62.40 63.82 2ekt h SER 35 CO 0.20 0.94 -1.01 1.41 -1.14 0.00 0.00 176.83 177.23 2ekt n HIS 36 N -3.63 -0.33 0.27 3.45 8.25 -0.02 -5.00 115.22 118.21 2ekt n HIS 36 Ca -0.03 -3.50 0.17 0.00 -0.26 0.00 0.00 57.72 54.11 2ekt n HIS 36 Cb 0.80 -0.09 0.94 0.00 1.12 0.00 0.00 29.99 32.75 2ekt n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2ekt h PRO 37 N 4.79 0.00 0.00 -0.41 0.11 -1.70 0.71 132.00 135.49 2ekt h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2ekt h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2ekt h PRO 37 CO 0.44 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.25 2ekt h GLU 38 N 0.00 0.00 -0.17 1.05 9.09 -1.92 -1.67 114.58 120.95 2ekt h GLU 38 Ca 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.42 2ekt h GLU 38 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 2ekt h GLU 38 CO -0.00 0.03 -0.02 1.79 0.05 0.00 0.00 179.01 180.86 2ekt h THR 39 N 0.00 1.13 0.00 -1.06 1.35 -1.18 -2.40 112.91 110.75 2ekt h THR 39 Ca -0.00 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 2ekt h THR 39 Cb 0.06 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2ekt h THR 39 CO 0.00 0.17 -0.10 0.25 -0.25 0.00 0.00 175.52 175.59 2ekt h LEU 40 N 0.25 0.00 -1.56 3.87 5.85 -1.46 -2.18 115.31 120.08 2ekt h LEU 40 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ekt h LEU 40 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2ekt h LEU 40 CO 0.01 0.10 0.00 -0.33 -0.34 0.00 0.00 178.44 177.88 2ekt h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.53 -1.57 114.58 117.12 2ekt h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ekt h GLU 41 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2ekt h GLU 41 CO 0.01 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.73 2ekt h LYS 42 N 0.00 0.00 -4.15 2.33 1.79 -1.53 -3.41 116.57 111.59 2ekt h LYS 42 Ca 0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 2ekt h LYS 42 Cb 0.22 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.61 2ekt h LYS 42 CO 0.00 0.00 -0.27 -0.06 -1.08 0.00 0.00 179.45 178.04 2ekt s PHE 43 N -3.28 3.30 0.44 -1.35 0.40 -0.59 -4.94 117.98 111.96 2ekt s PHE 43 Ca 0.06 -1.47 0.13 0.00 -0.60 0.00 0.00 56.93 55.06 2ekt s PHE 43 Cb 0.10 -3.71 1.02 0.00 0.51 0.00 0.00 43.02 40.94 2ekt s PHE 43 CO 0.52 -1.01 2.00 -0.44 0.70 0.00 0.00 175.22 176.99 2ekt h ASP 44 N 8.76 0.36 1.51 1.36 3.32 -1.85 -0.69 116.42 129.19 2ekt h ASP 44 Ca -0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2ekt h ASP 44 Cb 1.09 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2ekt h ASP 44 CO 0.99 0.23 -0.06 0.03 -1.72 0.00 0.00 179.24 178.70 2ekt h ARG 45 N 0.41 0.00 0.00 3.56 3.08 -1.95 -3.37 114.38 116.11 2ekt h ARG 45 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2ekt h ARG 45 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2ekt h ARG 45 CO -0.06 0.06 -0.13 1.19 -1.07 0.00 0.00 179.97 179.96 2ekt n PHE 46 N -3.14 0.00 0.48 3.04 3.72 -0.61 -4.73 117.46 116.23 2ekt n PHE 46 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.52 2ekt n PHE 46 Cb 0.46 -0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.39 2ekt n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2ekt n LYS 47 N -1.06 0.09 0.12 -1.08 2.85 -0.37 -1.19 118.16 117.51 2ekt n LYS 47 Ca 0.00 0.31 0.13 0.00 -1.05 0.00 0.00 58.31 57.70 2ekt n LYS 47 Cb 0.03 -1.66 0.43 0.00 -0.65 0.00 0.00 35.03 33.18 2ekt n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2ekt n HIS 48 N -1.82 0.92 -2.10 5.58 1.44 -1.26 -4.86 115.22 113.12 2ekt n HIS 48 Ca 0.03 0.29 -0.42 0.00 -2.01 0.00 0.00 57.72 55.61 2ekt n HIS 48 Cb 0.21 -0.98 -0.03 0.00 0.12 0.00 0.00 29.99 29.31 2ekt n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2ekt s LEU 49 N -4.56 4.36 -0.10 2.39 1.43 -0.33 -4.90 118.68 116.97 2ekt s LEU 49 Ca 0.09 2.37 0.20 0.00 -1.03 0.00 0.00 54.13 55.76 2ekt s LEU 49 Cb 0.11 -3.58 -0.27 0.00 0.03 0.00 0.00 46.19 42.48 2ekt s LEU 49 CO 0.54 -0.73 0.33 0.29 0.23 0.00 0.00 176.35 177.00 2ekt n LYS 50 N 4.41 0.67 -4.07 1.70 5.02 -1.26 -5.01 118.16 119.62 2ekt n LYS 50 Ca 0.13 -0.06 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 2ekt n LYS 50 Cb 0.41 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2ekt n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2ekt s THR 51 N -2.97 0.20 0.31 -0.18 -4.23 -1.26 -5.04 115.64 102.46 2ekt s THR 51 Ca -0.08 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2ekt s THR 51 Cb 0.10 -1.56 0.28 0.00 1.34 0.00 0.00 72.50 72.66 2ekt s THR 51 CO 0.86 -0.90 1.92 -0.08 -0.54 0.00 0.00 174.62 175.89 2ekt h GLU 52 N 3.07 0.97 -0.62 3.99 4.81 -1.99 -1.69 114.58 123.13 2ekt h GLU 52 Ca -0.34 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 2ekt h GLU 52 Cb 1.15 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 2ekt h GLU 52 CO 0.64 0.64 0.39 0.00 -0.73 0.00 0.00 179.01 179.96 2ekt h ALA 53 N 1.52 0.79 -0.54 2.92 0.00 -1.99 0.22 119.26 122.18 2ekt h ALA 53 Ca 0.37 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2ekt h ALA 53 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ekt h ALA 53 CO -0.13 0.16 0.03 0.93 0.00 0.00 0.00 179.25 180.24 2ekt h GLU 54 N 0.78 0.90 -0.38 0.00 5.08 -1.82 -1.84 114.58 117.29 2ekt h GLU 54 Ca 0.24 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2ekt h GLU 54 Cb -0.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2ekt h GLU 54 CO -0.08 0.87 0.15 0.52 -1.00 0.00 0.00 179.01 179.47 2ekt h MET 55 N 0.84 0.57 -0.16 2.33 2.86 -0.59 -2.28 114.93 118.51 2ekt h MET 55 Ca 0.16 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2ekt h MET 55 Cb 0.45 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2ekt h MET 55 CO 0.02 0.55 -0.08 0.87 1.06 0.00 0.00 176.91 179.33 2ekt h LYS 56 N 0.47 0.24 -0.00 1.72 1.57 -0.31 -2.69 116.57 117.57 2ekt h LYS 56 Ca 0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2ekt h LYS 56 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2ekt h LYS 56 CO -0.01 0.34 -0.17 0.00 -0.57 0.00 0.00 179.45 179.04 2ekt n ALA 57 N -2.49 2.86 -2.57 3.86 0.00 -0.72 -4.81 120.51 116.63 2ekt n ALA 57 Ca -0.01 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 2ekt n ALA 57 Cb 0.23 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 2ekt n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ekt s SER 58 N -2.65 6.65 0.31 0.00 0.15 -0.88 -4.88 113.70 112.39 2ekt s SER 58 Ca 0.23 0.61 0.05 0.00 0.70 0.00 0.00 55.95 57.54 2ekt s SER 58 Cb 0.19 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.46 2ekt s SER 58 CO 0.53 -1.21 1.76 -0.33 1.20 0.00 0.00 173.24 175.18 2ekt h GLU 59 N 9.22 0.35 -0.19 5.44 4.39 -1.88 -2.07 114.58 129.84 2ekt h GLU 59 Ca -0.23 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.17 2ekt h GLU 59 Cb 1.07 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2ekt h GLU 59 CO 1.11 0.60 -0.59 -0.44 -1.16 0.00 0.00 179.01 178.53 2ekt h ASP 60 N 0.31 0.68 -0.63 1.42 3.32 -1.96 -1.16 116.42 118.39 2ekt h ASP 60 Ca 0.05 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 2ekt h ASP 60 Cb 0.65 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2ekt h ASP 60 CO 0.05 1.12 0.18 0.25 -1.72 0.00 0.00 179.24 179.12 2ekt h LEU 61 N 0.46 0.94 -0.52 1.55 5.85 -1.83 -0.76 115.31 121.00 2ekt h LEU 61 Ca 0.00 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2ekt h LEU 61 Cb 1.15 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2ekt h LEU 61 CO 0.11 0.91 0.27 0.50 -0.34 0.00 0.00 178.44 179.89 2ekt h LYS 62 N 0.92 0.51 -0.80 1.25 3.64 -1.17 -0.76 116.57 120.16 2ekt h LYS 62 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2ekt h LYS 62 Cb 0.32 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2ekt h LYS 62 CO -0.00 0.34 0.45 0.87 -2.27 0.00 0.00 179.45 178.84 2ekt h LYS 63 N 0.53 1.11 -0.43 1.90 1.57 -0.97 -2.50 116.57 117.78 2ekt h LYS 63 Ca 0.23 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 2ekt h LYS 63 Cb 0.12 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2ekt h LYS 63 CO -0.15 0.81 -0.13 1.25 -0.57 0.00 0.00 179.45 180.66 2ekt h HIS 64 N 1.11 0.86 -0.83 -1.35 2.76 -0.34 -1.35 115.15 116.02 2ekt h HIS 64 Ca 0.28 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2ekt h HIS 64 Cb 0.01 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2ekt h HIS 64 CO 0.00 0.86 0.55 0.78 -1.30 0.00 0.00 177.93 178.82 2ekt h GLY 65 N 0.97 1.17 0.97 5.26 0.00 -0.89 -0.10 103.07 110.45 2ekt h GLY 65 Ca 0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2ekt h GLY 65 CO 0.04 0.42 0.24 -2.08 0.00 0.00 0.00 176.54 175.16 2ekt h VAL 66 N 1.12 1.20 -0.24 4.60 2.07 -0.97 -1.19 116.25 122.83 2ekt h VAL 66 Ca 0.31 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2ekt h VAL 66 Cb -0.12 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2ekt h VAL 66 CO -0.07 0.22 0.00 0.74 0.02 0.00 0.00 177.57 178.49 2ekt h THR 67 N 0.68 0.83 0.07 2.57 2.02 -0.30 0.50 112.91 119.27 2ekt h THR 67 Ca 0.17 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2ekt h THR 67 Cb 0.13 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2ekt h THR 67 CO -0.02 0.01 -0.04 0.58 0.37 0.00 0.00 175.52 176.43 2ekt h VAL 68 N 0.08 0.99 0.00 3.16 2.07 -0.91 -2.49 116.25 119.14 2ekt h VAL 68 Ca 0.11 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 2ekt h VAL 68 Cb 0.15 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2ekt h VAL 68 CO -0.19 0.05 -0.56 -0.07 0.02 0.00 0.00 177.57 176.82 2ekt h LEU 69 N -0.19 0.00 -0.24 2.57 3.38 -1.06 -0.93 115.31 118.85 2ekt h LEU 69 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ekt h LEU 69 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2ekt h LEU 69 CO 0.02 0.56 0.15 0.74 0.09 0.00 0.00 178.44 180.00 2ekt h THR 70 N 0.00 1.07 -0.26 0.22 2.02 -0.83 0.68 112.91 115.80 2ekt h THR 70 Ca -0.01 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2ekt h THR 70 Cb 1.06 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2ekt h THR 70 CO 0.07 0.07 0.10 0.00 0.37 0.00 0.00 175.52 176.13 2ekt h ALA 71 N 1.08 0.34 -0.62 6.16 0.00 -1.11 -2.37 119.26 122.74 2ekt h ALA 71 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2ekt h ALA 71 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ekt h ALA 71 CO -0.02 -0.06 0.06 1.25 0.00 0.00 0.00 179.25 180.48 2ekt h LEU 72 N 0.28 1.02 -0.77 0.00 5.85 -1.08 -2.25 115.31 118.36 2ekt h LEU 72 Ca 0.09 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ekt h LEU 72 Cb 0.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2ekt h LEU 72 CO -0.01 1.04 0.43 1.23 -0.34 0.00 0.00 178.44 180.80 2ekt h GLY 73 N 1.02 1.14 1.13 3.75 0.00 -0.75 0.36 103.07 109.72 2ekt h GLY 73 Ca 0.19 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2ekt h GLY 73 CO 0.02 0.48 0.22 0.00 0.00 0.00 0.00 176.54 177.27 2ekt h ALA 74 N 1.23 1.06 -0.01 3.60 0.00 -1.18 -0.71 119.26 123.25 2ekt h ALA 74 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ekt h ALA 74 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2ekt h ALA 74 CO -0.05 0.64 0.00 0.82 0.00 0.00 0.00 179.25 180.67 2ekt h ILE 75 N 1.05 1.02 -0.89 0.00 2.04 -0.80 -2.65 117.51 117.28 2ekt h ILE 75 Ca 0.23 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2ekt h ILE 75 Cb 0.29 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2ekt h ILE 75 CO -0.01 0.02 0.49 -0.07 0.00 0.00 0.00 178.15 178.58 2ekt h LEU 76 N -0.02 1.11 -2.20 1.44 3.38 -0.64 -1.91 115.31 116.47 2ekt h LEU 76 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ekt h LEU 76 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2ekt h LEU 76 CO -0.00 0.89 -0.02 0.11 0.09 0.00 0.00 178.44 179.50 2ekt h LYS 77 N 1.24 0.00 0.00 1.13 1.57 -1.03 -0.55 116.57 118.94 2ekt h LYS 77 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2ekt h LYS 77 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2ekt h LYS 77 CO -0.05 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 2ekt n LYS 78 N -3.20 0.07 -3.84 3.15 4.76 -0.72 -4.93 118.16 113.46 2ekt n LYS 78 Ca -0.01 0.23 -0.26 0.00 -2.87 0.00 0.00 58.31 55.39 2ekt n LYS 78 Cb 0.19 -1.61 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 2ekt n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ekt n LYS 79 N -1.74 -4.93 0.00 1.97 5.02 -0.22 -1.45 118.16 116.82 2ekt n LYS 79 Ca 0.04 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2ekt n LYS 79 Cb 0.25 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 2ekt n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ekt n GLY 80 N -1.66 3.47 2.51 0.72 0.00 -1.26 -4.95 105.19 104.01 2ekt n GLY 80 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2ekt n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ekt n HIS 81 N -2.00 2.46 -1.16 1.61 8.25 -0.53 -4.66 115.22 119.19 2ekt n HIS 81 Ca 0.00 -2.64 0.03 0.00 -0.26 0.00 0.00 57.72 54.85 2ekt n HIS 81 Cb 0.00 -1.68 0.23 0.00 1.12 0.00 0.00 29.99 29.67 2ekt n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ekt n HIS 82 N 1.34 1.04 -0.19 4.41 1.44 -1.26 -4.70 115.22 117.30 2ekt n HIS 82 Ca 0.58 -1.16 -0.04 0.00 -2.01 0.00 0.00 57.72 55.10 2ekt n HIS 82 Cb 0.30 -0.39 0.06 0.00 0.12 0.00 0.00 29.99 30.08 2ekt n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2ekt h GLU 83 N 1.45 0.57 -0.52 -1.40 3.07 -2.00 -1.46 114.58 114.30 2ekt h GLU 83 Ca 0.10 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.83 2ekt h GLU 83 Cb 1.56 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.32 2ekt h GLU 83 CO 0.31 0.38 -0.06 0.00 -1.40 0.00 0.00 179.01 178.23 2ekt h ALA 84 N 1.29 0.91 -0.22 3.43 0.00 -2.00 -2.83 119.26 119.85 2ekt h ALA 84 Ca 0.25 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2ekt h ALA 84 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ekt h ALA 84 CO -0.15 0.64 -0.29 0.93 0.00 0.00 0.00 179.25 180.37 2ekt h GLU 85 N 0.84 0.43 0.00 0.00 3.07 -1.76 -3.12 114.58 114.03 2ekt h GLU 85 Ca 0.14 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2ekt h GLU 85 Cb 0.58 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 2ekt h GLU 85 CO 0.04 0.68 -0.19 -0.07 -1.40 0.00 0.00 179.01 178.07 2ekt h LEU 86 N 0.37 0.00 0.76 1.33 3.38 -1.04 -3.32 115.31 116.79 2ekt h LEU 86 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ekt h LEU 86 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2ekt h LEU 86 CO 0.05 0.19 -0.47 0.11 0.09 0.00 0.00 178.44 178.42 2ekt h LYS 87 N 0.00 -1.11 -0.19 1.13 1.57 -1.45 0.78 116.57 117.30 2ekt h LYS 87 Ca -0.00 0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2ekt h LYS 87 Cb 1.04 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2ekt h LYS 87 CO 0.02 -0.74 -0.31 -1.00 -0.57 0.00 0.00 179.45 176.85 2ekt h PRO 88 N -1.15 0.39 -0.13 3.15 0.13 -1.75 -1.66 132.00 130.98 2ekt h PRO 88 Ca -0.10 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2ekt h PRO 88 Cb 0.93 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2ekt h PRO 88 CO 0.10 0.66 -0.03 1.25 -0.23 0.00 0.00 178.00 179.75 2ekt h LEU 89 N 0.34 0.25 -0.62 1.56 5.85 -1.64 -1.30 115.31 119.75 2ekt h LEU 89 Ca 0.04 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2ekt h LEU 89 Cb 0.72 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2ekt h LEU 89 CO 0.05 0.56 0.37 0.00 -0.34 0.00 0.00 178.44 179.08 2ekt h ALA 90 N 0.70 0.79 -0.28 1.25 0.00 -0.78 -1.18 119.26 119.76 2ekt h ALA 90 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ekt h ALA 90 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ekt h ALA 90 CO 0.01 0.28 0.13 0.37 0.00 0.00 0.00 179.25 180.04 2ekt h GLN 91 N 0.84 0.41 -0.41 0.00 4.15 -1.11 0.93 115.11 119.92 2ekt h GLN 91 Ca 0.22 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 2ekt h GLN 91 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2ekt h GLN 91 CO -0.04 0.41 -0.00 0.66 -1.93 0.00 0.00 178.83 177.93 2ekt h SER 92 N 0.31 0.71 0.54 -0.69 4.64 -1.13 -0.42 113.55 117.51 2ekt h SER 92 Ca 0.09 -0.31 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 2ekt h SER 92 Cb 0.14 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2ekt h SER 92 CO -0.01 0.85 -0.62 0.45 -0.87 0.00 0.00 176.83 176.63 2ekt h HIS 93 N 0.55 0.10 0.01 4.77 3.86 -1.11 0.39 115.15 123.72 2ekt h HIS 93 Ca 0.12 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 2ekt h HIS 93 Cb 0.48 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.95 2ekt h HIS 93 CO 0.04 0.67 -0.52 0.00 0.86 0.00 0.00 177.93 178.98 2ekt h ALA 94 N 1.32 0.06 0.05 2.45 0.00 -0.77 0.87 119.26 123.24 2ekt h ALA 94 Ca -0.01 -0.55 -0.38 0.00 0.00 0.00 0.00 54.91 53.98 2ekt h ALA 94 Cb 1.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2ekt h ALA 94 CO 0.09 0.28 -2.25 2.41 0.00 0.00 0.00 179.25 179.77 2ekt n THR 95 N -4.29 1.61 -0.09 0.00 -1.04 -0.17 -3.94 114.28 106.35 2ekt n THR 95 Ca -0.10 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.05 61.22 2ekt n THR 95 Cb 0.64 -1.58 -0.04 0.00 -1.82 0.00 0.00 70.33 67.52 2ekt n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2ekt n LYS 96 N -3.43 0.51 0.12 -2.82 4.81 -0.47 -4.69 118.16 112.19 2ekt n LYS 96 Ca -0.40 0.37 0.02 0.00 -0.87 0.00 0.00 58.31 57.43 2ekt n LYS 96 Cb 1.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.48 2ekt n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ekt h HIS 97 N -1.00 0.00 -5.42 5.64 -0.00 -1.11 -3.49 115.15 109.78 2ekt h HIS 97 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.15 2ekt h HIS 97 Cb 0.90 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.39 2ekt h HIS 97 CO -0.26 0.54 -0.38 1.63 -0.00 0.00 0.00 177.93 179.45 2ekt n LYS 98 N -3.18 -1.71 -3.51 2.45 5.02 0.10 -4.99 118.16 112.34 2ekt n LYS 98 Ca 0.00 1.22 -0.42 0.00 -2.02 0.00 0.00 58.31 57.09 2ekt n LYS 98 Cb 0.76 -5.77 -0.09 0.00 -0.02 0.00 0.00 35.03 29.91 2ekt n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ekt s ILE 99 N -3.17 4.83 0.73 -0.18 -1.09 -0.03 -5.02 121.20 117.27 2ekt s ILE 99 Ca 0.20 -1.02 -0.14 0.00 -2.23 0.00 0.00 60.65 57.45 2ekt s ILE 99 Cb -0.03 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2ekt s ILE 99 CO 0.75 -0.43 1.18 -2.84 -1.23 0.00 0.00 174.94 172.37 2ekt s PRO 100 N 1.57 2.20 0.38 2.79 0.02 -1.26 -4.80 135.00 135.89 2ekt s PRO 100 Ca 0.03 1.65 0.13 0.00 0.02 0.00 0.00 61.00 62.83 2ekt s PRO 100 Cb -0.22 -1.85 0.94 0.00 0.02 0.00 0.00 34.50 33.39 2ekt s PRO 100 CO 0.06 -1.77 1.84 0.82 -0.33 0.00 0.00 177.00 177.62 2ekt h ILE 101 N -0.36 0.72 -0.05 2.83 1.08 -1.42 0.37 117.51 120.67 2ekt h ILE 101 Ca -0.47 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 2ekt h ILE 101 Cb 1.28 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2ekt h ILE 101 CO 0.50 0.10 -0.07 0.07 -0.69 0.00 0.00 178.15 178.06 2ekt h LYS 102 N 0.56 0.07 -0.00 2.37 2.10 -1.91 0.73 116.57 120.49 2ekt h LYS 102 Ca 0.50 -0.01 -0.18 0.00 -2.00 0.00 0.00 60.65 58.96 2ekt h LYS 102 Cb 1.02 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.32 2ekt h LYS 102 CO -0.24 0.15 -0.82 1.88 -2.00 0.00 0.00 179.45 178.42 2ekt h TYR 103 N 0.07 0.12 -0.17 0.07 -1.99 -1.28 -1.41 116.97 112.39 2ekt h TYR 103 Ca 0.02 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.59 2ekt h TYR 103 Cb 0.17 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 2ekt h TYR 103 CO 0.00 0.87 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.67 2ekt h LEU 104 N 0.05 0.32 -0.44 3.88 3.38 -0.87 -1.13 115.31 120.50 2ekt h LEU 104 Ca -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2ekt h LEU 104 Cb 1.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2ekt h LEU 104 CO 0.12 0.61 0.18 -0.33 0.09 0.00 0.00 178.44 179.10 2ekt h GLU 105 N 0.28 0.65 -0.68 1.13 5.08 -0.63 -1.58 114.58 118.83 2ekt h GLU 105 Ca 0.04 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ekt h GLU 105 Cb 0.66 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2ekt h GLU 105 CO 0.05 0.59 0.43 0.74 -1.00 0.00 0.00 179.01 179.82 2ekt h PHE 106 N 0.56 0.80 -0.03 4.33 0.04 -0.73 -0.45 116.94 121.47 2ekt h PHE 106 Ca 0.15 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.80 2ekt h PHE 106 Cb 0.18 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2ekt h PHE 106 CO 0.00 0.47 -0.62 0.97 -0.60 0.00 0.00 178.31 178.53 2ekt h ILE 107 N 0.85 1.42 -0.62 -0.55 2.10 -1.12 -1.40 117.51 118.20 2ekt h ILE 107 Ca 0.27 -2.07 -0.01 0.00 1.08 0.00 0.00 64.86 64.13 2ekt h ILE 107 Cb -0.01 2.09 -0.03 0.00 -1.09 0.00 0.00 36.82 37.79 2ekt h ILE 107 CO -0.10 0.60 0.35 0.28 -1.08 0.00 0.00 178.15 178.20 2ekt h SER 108 N 0.07 0.76 -0.88 2.19 0.02 -0.72 0.07 113.55 115.06 2ekt h SER 108 Ca -0.01 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2ekt h SER 108 Cb 1.11 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 2ekt h SER 108 CO 0.09 0.63 0.45 -0.33 -1.14 0.00 0.00 176.83 176.53 2ekt h GLU 109 N 0.84 1.25 -0.56 3.45 5.08 -0.77 -1.72 114.58 122.14 2ekt h GLU 109 Ca 0.22 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2ekt h GLU 109 Cb 0.03 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2ekt h GLU 109 CO -0.04 0.93 0.08 0.00 -1.00 0.00 0.00 179.01 178.99 2ekt h ALA 110 N 1.25 0.74 -0.14 3.43 0.00 -0.76 0.17 119.26 123.95 2ekt h ALA 110 Ca 0.31 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ekt h ALA 110 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2ekt h ALA 110 CO -0.04 0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.48 2ekt h ILE 111 N 0.82 0.84 -0.53 0.00 2.04 -0.68 -0.82 117.51 119.18 2ekt h ILE 111 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2ekt h ILE 111 Cb 0.42 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2ekt h ILE 111 CO 0.01 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.81 2ekt h ILE 112 N -0.01 1.20 -0.34 -0.67 2.04 -1.13 -0.69 117.51 117.91 2ekt h ILE 112 Ca 0.07 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 2ekt h ILE 112 Cb 0.12 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2ekt h ILE 112 CO -0.15 0.22 -0.23 -0.74 0.00 0.00 0.00 178.15 177.25 2ekt h HIS 113 N 0.71 0.76 -0.50 1.37 2.76 -0.73 -0.74 115.15 118.77 2ekt h HIS 113 Ca 0.18 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 2ekt h HIS 113 Cb 0.12 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2ekt h HIS 113 CO -0.00 0.84 0.08 0.28 -1.30 0.00 0.00 177.93 177.82 2ekt h VAL 114 N 0.59 1.25 -0.68 5.26 2.07 -0.91 -0.69 116.25 123.15 2ekt h VAL 114 Ca 0.08 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2ekt h VAL 114 Cb 0.70 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2ekt h VAL 114 CO 0.05 0.34 0.42 -0.07 0.02 0.00 0.00 177.57 178.33 2ekt h LEU 115 N 0.71 0.69 -0.82 2.57 3.38 -0.93 0.75 115.31 121.67 2ekt h LEU 115 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2ekt h LEU 115 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2ekt h LEU 115 CO 0.01 0.48 -0.13 -0.74 0.09 0.00 0.00 178.44 178.15 2ekt h HIS 116 N 0.83 0.82 0.00 1.13 2.76 -0.90 -1.12 115.15 118.67 2ekt h HIS 116 Ca 0.27 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2ekt h HIS 116 Cb 0.02 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2ekt h HIS 116 CO -0.05 0.83 -0.95 0.66 -1.30 0.00 0.00 177.93 177.13 2ekt h SER 117 N 0.67 0.00 0.99 3.26 4.64 -0.78 -3.24 113.55 119.09 2ekt h SER 117 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 2ekt h SER 117 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 2ekt h SER 117 CO 0.04 0.07 -1.08 0.03 -0.87 0.00 0.00 176.83 175.02 2ekt h ARG 118 N 0.00 0.00 -2.02 4.77 3.08 -0.81 -3.39 114.38 116.02 2ekt h ARG 118 Ca -0.02 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.47 2ekt h ARG 118 Cb 1.07 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.70 2ekt h ARG 118 CO 0.01 0.57 -0.77 0.72 -1.07 0.00 0.00 179.97 179.43 2ekt n HIS 119 N -3.13 3.22 0.19 3.04 8.25 -0.43 -4.92 115.22 121.44 2ekt n HIS 119 Ca -0.05 -3.73 0.14 0.00 -0.26 0.00 0.00 57.72 53.83 2ekt n HIS 119 Cb 0.87 -0.39 0.74 0.00 1.12 0.00 0.00 29.99 32.33 2ekt n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ekt h PRO 120 N 2.90 0.00 -0.02 -0.41 0.13 -1.76 -2.57 132.00 130.28 2ekt h PRO 120 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2ekt h PRO 120 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2ekt h PRO 120 CO 0.76 0.00 -0.33 0.41 -0.23 0.00 0.00 178.00 178.61 2ekt n GLY 121 N -1.49 0.33 2.79 1.56 0.00 -1.26 -4.54 105.19 102.58 2ekt n GLY 121 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 2ekt n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ekt n ASP 122 N 0.40 1.12 -2.97 1.61 2.03 -0.98 -4.91 116.55 112.85 2ekt n ASP 122 Ca 0.11 -2.16 -0.16 0.00 0.52 0.00 0.00 54.79 53.10 2ekt n ASP 122 Cb 0.51 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.58 2ekt n ASP 122 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2ekt n PHE 123 N -0.63 -1.90 -1.63 -0.67 7.35 -1.15 -4.95 117.46 113.87 2ekt n PHE 123 Ca 0.04 -2.63 -0.05 0.00 -0.76 0.00 0.00 57.45 54.05 2ekt n PHE 123 Cb 0.81 0.63 0.03 0.00 0.35 0.00 0.00 39.48 41.30 2ekt n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ekt n GLY 124 N 1.60 -0.40 0.28 7.13 0.00 -1.26 -4.70 105.19 107.83 2ekt n GLY 124 Ca 0.15 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 2ekt n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekt h ALA 125 N -1.35 0.85 -0.50 4.61 0.00 -2.01 0.10 119.26 120.96 2ekt h ALA 125 Ca -0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2ekt h ALA 125 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ekt h ALA 125 CO 0.06 0.36 0.02 -0.44 0.00 0.00 0.00 179.25 179.26 2ekt h ASP 126 N 0.91 0.85 -0.60 0.00 3.32 -1.99 0.86 116.42 119.76 2ekt h ASP 126 Ca 0.23 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2ekt h ASP 126 Cb 0.04 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2ekt h ASP 126 CO -0.04 0.93 0.24 0.00 -1.72 0.00 0.00 179.24 178.65 2ekt h ALA 127 N 0.94 0.78 -0.53 3.45 0.00 -1.80 -1.26 119.26 120.85 2ekt h ALA 127 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2ekt h ALA 127 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ekt h ALA 127 CO 0.02 0.40 -0.01 0.37 0.00 0.00 0.00 179.25 180.04 2ekt h GLN 128 N 0.84 0.91 -0.67 0.00 4.15 -0.60 -1.19 115.11 118.54 2ekt h GLN 128 Ca 0.20 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2ekt h GLN 128 Cb 0.21 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2ekt h GLN 128 CO -0.02 0.91 0.41 0.78 -1.93 0.00 0.00 178.83 178.98 2ekt h GLY 129 N 0.99 0.97 1.05 2.39 0.00 -0.50 0.87 103.07 108.85 2ekt h GLY 129 Ca 0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 2ekt h GLY 129 CO 0.03 0.39 -0.11 0.00 0.00 0.00 0.00 176.54 176.84 2ekt h ALA 130 N 1.22 0.66 -0.40 3.60 0.00 -0.94 0.04 119.26 123.43 2ekt h ALA 130 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ekt h ALA 130 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ekt h ALA 130 CO -0.05 0.56 0.23 1.98 0.00 0.00 0.00 179.25 181.97 2ekt h MET 131 N 0.77 0.56 -0.60 0.00 -1.53 -0.94 -0.67 114.93 112.51 2ekt h MET 131 Ca 0.12 -0.06 0.06 0.00 -3.44 0.00 0.00 59.70 56.39 2ekt h MET 131 Cb 0.66 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 31.54 2ekt h MET 131 CO 0.05 0.44 0.30 -0.97 0.14 0.00 0.00 176.91 176.86 2ekt h ASN 132 N 0.53 0.41 -0.30 1.39 -1.24 -0.65 -0.70 115.58 115.01 2ekt h ASN 132 Ca 0.14 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.24 2ekt h ASN 132 Cb 0.03 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 2ekt h ASN 132 CO -0.02 0.26 0.07 0.11 -1.29 0.00 0.00 177.43 176.56 2ekt h LYS 133 N 0.55 0.18 -0.75 6.67 1.57 -0.47 0.16 116.57 124.47 2ekt h LYS 133 Ca 0.28 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2ekt h LYS 133 Cb 0.23 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2ekt h LYS 133 CO -0.21 0.12 0.37 0.00 -0.57 0.00 0.00 179.45 179.17 2ekt h ALA 134 N 1.22 0.97 -0.16 3.86 0.00 -0.62 -0.27 119.26 124.26 2ekt h ALA 134 Ca 0.14 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2ekt h ALA 134 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ekt h ALA 134 CO -0.18 0.52 -0.54 -0.07 0.00 0.00 0.00 179.25 178.99 2ekt h LEU 135 N 1.05 0.52 -0.74 0.00 3.38 -0.77 -1.47 115.31 117.28 2ekt h LEU 135 Ca 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2ekt h LEU 135 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2ekt h LEU 135 CO -0.04 0.96 0.40 -0.33 0.09 0.00 0.00 178.44 179.52 2ekt h GLU 136 N 0.36 1.03 -0.29 1.13 5.08 -0.35 -0.41 114.58 121.13 2ekt h GLU 136 Ca 0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2ekt h GLU 136 Cb 1.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2ekt h GLU 136 CO 0.10 0.76 0.10 1.25 -1.00 0.00 0.00 179.01 180.22 2ekt h LEU 137 N 1.02 0.42 -0.36 1.33 5.85 -0.85 0.49 115.31 123.20 2ekt h LEU 137 Ca 0.26 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2ekt h LEU 137 Cb 0.03 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2ekt h LEU 137 CO -0.04 0.49 -0.01 0.15 -0.34 0.00 0.00 178.44 178.69 2ekt h PHE 138 N 0.32 -0.04 -0.40 1.25 3.57 -1.05 -0.67 116.94 119.92 2ekt h PHE 138 Ca 0.10 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 2ekt h PHE 138 Cb 0.21 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2ekt h PHE 138 CO -0.00 -0.08 -0.19 0.00 -2.23 0.00 0.00 178.31 175.81 2ekt h ARG 139 N 0.09 0.76 -0.22 1.11 3.08 -0.81 0.10 114.38 118.49 2ekt h ARG 139 Ca 0.18 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.95 2ekt h ARG 139 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2ekt h ARG 139 CO -0.30 0.89 0.11 -0.22 -1.07 0.00 0.00 179.97 179.38 2ekt h LYS 140 N 0.67 0.23 -0.19 0.04 3.64 -0.50 0.43 116.57 120.89 2ekt h LYS 140 Ca 0.10 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 2ekt h LYS 140 Cb 0.69 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2ekt h LYS 140 CO 0.05 0.15 -0.60 -0.44 -2.27 0.00 0.00 179.45 176.34 2ekt h ASP 141 N 0.24 0.73 -0.56 4.20 3.32 -0.90 -1.59 116.42 121.85 2ekt h ASP 141 Ca 0.09 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 2ekt h ASP 141 Cb 0.02 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2ekt h ASP 141 CO -0.06 1.16 0.25 0.40 -1.72 0.00 0.00 179.24 179.27 2ekt h ILE 142 N 0.48 1.21 -0.88 0.35 1.08 -0.87 -1.95 117.51 116.93 2ekt h ILE 142 Ca -0.00 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 2ekt h ILE 142 Cb 1.18 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 2ekt h ILE 142 CO 0.12 0.25 0.56 0.00 -0.69 0.00 0.00 178.15 178.39 2ekt h ALA 143 N 1.09 1.32 -0.65 1.87 0.00 -0.64 0.23 119.26 122.48 2ekt h ALA 143 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2ekt h ALA 143 Cb 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2ekt h ALA 143 CO -0.02 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.92 2ekt h ALA 144 N 1.40 0.91 -0.47 0.00 0.00 -0.97 -2.08 119.26 118.06 2ekt h ALA 144 Ca 0.32 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2ekt h ALA 144 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2ekt h ALA 144 CO -0.06 0.67 -0.08 0.87 0.00 0.00 0.00 179.25 180.64 2ekt h LYS 145 N 1.01 0.88 -0.66 0.00 1.79 -0.64 -2.09 116.57 116.87 2ekt h LYS 145 Ca 0.20 -0.32 0.12 0.00 -2.18 0.00 0.00 60.65 58.46 2ekt h LYS 145 Cb 0.46 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 2ekt h LYS 145 CO 0.02 0.96 0.21 1.88 -1.08 0.00 0.00 179.45 181.44 2ekt h TYR 146 N 0.73 0.36 -0.44 -1.35 -1.99 -0.34 -0.10 116.97 113.84 2ekt h TYR 146 Ca 0.12 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 2ekt h TYR 146 Cb 0.62 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.27 2ekt h TYR 146 CO 0.05 0.04 0.20 -0.22 -0.00 0.00 0.00 178.16 178.22 2ekt h LYS 147 N 0.36 0.64 -0.36 4.88 3.64 -1.12 -0.67 116.57 123.94 2ekt h LYS 147 Ca 0.35 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2ekt h LYS 147 Cb 0.50 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2ekt h LYS 147 CO -0.38 0.56 0.24 0.93 -2.27 0.00 0.00 179.45 178.53 2ekt h GLU 148 N 0.56 0.42 0.00 1.90 5.08 -0.63 -2.47 114.58 119.45 2ekt h GLU 148 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2ekt h GLU 148 Cb 0.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2ekt h GLU 148 CO -0.02 0.28 -0.18 1.28 -1.00 0.00 0.00 179.01 179.37 2ekt n LEU 149 N -4.49 0.19 0.00 1.33 4.77 -0.13 -4.93 117.00 113.74 2ekt n LEU 149 Ca 0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2ekt n LEU 149 Cb 0.10 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2ekt n LEU 149 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2ekt n GLY 150 N 1.50 0.84 3.60 -0.72 0.00 -0.71 -5.05 105.19 104.64 2ekt n GLY 150 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2ekt n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ekt s TYR 151 N -2.06 3.23 0.29 1.61 5.04 -0.34 -4.99 117.35 120.13 2ekt s TYR 151 Ca 0.00 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 2ekt s TYR 151 Cb 0.00 -2.20 0.42 0.00 0.35 0.00 0.00 41.96 40.53 2ekt s TYR 151 CO 0.00 -0.01 1.80 1.96 -1.34 0.00 0.00 175.55 177.96 2ekt h GLN 152 N 7.43 0.71 0.00 4.97 4.20 -1.95 -3.28 115.11 127.19 2ekt h GLN 152 Ca -0.37 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2ekt h GLN 152 Cb 1.17 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2ekt h GLN 152 CO 0.65 0.72 0.00 0.41 -0.67 0.00 0.00 178.83 179.93