#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swm s LEU 2 N 0.00 4.06 0.74 1.34 1.02 -1.26 -5.08 118.68 119.49 1swm s LEU 2 Ca 0.00 0.75 -0.08 0.00 0.02 0.00 0.00 54.13 54.81 1swm s LEU 2 Cb 0.00 -3.56 0.07 0.00 0.02 0.00 0.00 46.19 42.71 1swm s LEU 2 CO 0.00 -0.19 1.07 -0.94 0.02 0.00 0.00 176.35 176.30 1swm s SER 3 N -3.09 4.73 0.28 2.29 1.04 -1.26 -4.86 113.70 112.82 1swm s SER 3 Ca 0.44 0.57 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 1swm s SER 3 Cb -0.11 -1.18 0.41 0.00 0.10 0.00 0.00 66.02 65.25 1swm s SER 3 CO 0.29 -1.69 1.91 -0.08 0.98 0.00 0.00 173.24 174.65 1swm h GLU 4 N -0.75 1.14 -0.77 4.02 4.57 -1.99 0.51 114.58 121.32 1swm h GLU 4 Ca -0.45 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.61 1swm h GLU 4 Cb 1.32 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1swm h GLU 4 CO 0.62 0.76 0.29 0.78 -1.18 0.00 0.00 179.01 180.27 1swm h GLY 5 N 1.18 1.25 1.43 1.92 0.00 -1.99 0.51 103.07 107.37 1swm h GLY 5 Ca 0.39 -0.70 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1swm h GLY 5 CO -0.13 0.66 -0.61 0.83 0.00 0.00 0.00 176.54 177.29 1swm h GLU 6 N 1.12 0.58 -0.36 4.80 5.08 -1.61 -2.55 114.58 121.65 1swm h GLU 6 Ca 0.25 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1swm h GLU 6 Cb 0.25 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1swm h GLU 6 CO -0.02 1.01 0.07 -1.49 -1.00 0.00 0.00 179.01 177.58 1swm h TRP 7 N 0.44 0.54 -0.62 4.33 4.06 -0.34 -2.09 115.95 122.26 1swm h TRP 7 Ca -0.00 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 1swm h TRP 7 Cb 1.17 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 1swm h TRP 7 CO 0.05 0.48 0.09 1.96 -3.56 0.00 0.00 178.44 177.47 1swm h GLN 8 N 0.52 1.01 -0.74 0.49 4.20 -0.65 -0.48 115.11 119.46 1swm h GLN 8 Ca 0.12 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1swm h GLN 8 Cb 0.23 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1swm h GLN 8 CO -0.00 0.94 0.24 -0.07 -0.67 0.00 0.00 178.83 179.27 1swm h LEU 9 N 0.95 1.07 -0.12 1.46 3.38 -1.00 -0.85 115.31 120.20 1swm h LEU 9 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1swm h LEU 9 Cb 0.43 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1swm h LEU 9 CO 0.01 0.99 0.02 0.58 0.09 0.00 0.00 178.44 180.13 1swm h VAL 10 N 1.10 1.22 0.00 1.22 2.07 -0.83 -2.88 116.25 118.15 1swm h VAL 10 Ca 0.24 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1swm h VAL 10 Cb 0.29 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1swm h VAL 10 CO -0.01 0.20 -0.34 -0.07 0.02 0.00 0.00 177.57 177.37 1swm h LEU 11 N -0.02 0.00 -0.06 2.57 3.38 -1.03 -1.12 115.31 119.03 1swm h LEU 11 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1swm h LEU 11 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1swm h LEU 11 CO 0.00 0.34 -0.03 -0.74 0.09 0.00 0.00 178.44 178.11 1swm h HIS 12 N 0.00 0.15 -0.75 1.13 2.76 -1.11 -1.04 115.15 116.28 1swm h HIS 12 Ca -0.00 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1swm h HIS 12 Cb 0.92 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1swm h HIS 12 CO 0.00 0.50 0.30 -0.24 -1.30 0.00 0.00 177.93 177.18 1swm h VAL 13 N -0.25 1.25 -0.84 5.26 3.04 -1.44 -2.94 116.25 120.34 1swm h VAL 13 Ca 0.01 -0.80 0.08 0.00 -1.01 0.00 0.00 66.70 64.98 1swm h VAL 13 Cb 0.46 0.38 -0.06 0.00 -2.01 0.00 0.00 31.29 30.05 1swm h VAL 13 CO 0.01 0.33 0.55 -0.25 -1.01 0.00 0.00 177.57 177.19 1swm h TRP 14 N 1.09 0.91 0.00 3.17 2.91 -1.03 -0.02 115.95 122.97 1swm h TRP 14 Ca 0.25 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 1swm h TRP 14 Cb 0.22 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.57 1swm h TRP 14 CO 0.02 0.45 -0.02 0.00 -1.03 0.00 0.00 178.44 177.86 1swm h ALA 15 N 1.56 1.94 -0.17 2.65 0.00 -1.00 -0.83 119.26 123.41 1swm h ALA 15 Ca 0.38 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1swm h ALA 15 Cb 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1swm h ALA 15 CO -0.15 0.02 -0.69 0.87 0.00 0.00 0.00 179.25 179.31 1swm h LYS 16 N 0.00 0.77 -0.93 0.00 1.79 -1.06 -3.11 116.57 114.03 1swm h LYS 16 Ca -0.00 -0.60 0.05 0.00 -2.18 0.00 0.00 60.65 57.92 1swm h LYS 16 Cb 0.03 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 1swm h LYS 16 CO 0.00 1.21 0.60 0.28 -1.08 0.00 0.00 179.45 180.46 1swm h VAL 17 N 0.49 1.12 0.00 0.50 2.07 -0.51 -2.00 116.25 117.92 1swm h VAL 17 Ca -0.04 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1swm h VAL 17 Cb 1.32 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1swm h VAL 17 CO 0.14 0.21 0.03 -0.33 0.02 0.00 0.00 177.57 177.64 1swm h GLU 18 N 1.13 0.00 0.00 1.57 5.08 -1.13 -1.19 114.58 120.04 1swm h GLU 18 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1swm h GLU 18 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1swm h GLU 18 CO -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.87 1swm h ALA 19 N 1.92 1.00 -0.36 3.43 0.00 -1.38 -3.35 119.26 120.53 1swm h ALA 19 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1swm h ALA 19 Cb 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.67 1swm h ALA 19 CO 0.00 0.00 -0.59 -3.47 0.00 0.00 0.00 179.25 175.19 1swm n ASP 20 N -2.97 -2.19 -0.17 0.00 2.03 -0.48 -5.00 116.55 107.76 1swm n ASP 20 Ca 0.02 -3.31 -0.04 0.00 0.52 0.00 0.00 54.79 51.98 1swm n ASP 20 Cb 0.39 1.42 0.05 0.00 -0.72 0.00 0.00 41.12 42.26 1swm n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1swm h VAL 21 N 2.77 0.96 -0.30 5.18 2.07 -1.62 -2.36 116.25 122.95 1swm h VAL 21 Ca -0.10 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1swm h VAL 21 Cb 1.02 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1swm h VAL 21 CO 0.31 0.09 0.17 0.00 0.02 0.00 0.00 177.57 178.16 1swm h ALA 22 N 1.28 0.37 -0.75 1.67 0.00 -1.90 0.18 119.26 120.10 1swm h ALA 22 Ca 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1swm h ALA 22 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1swm h ALA 22 CO -0.15 -0.20 0.26 0.78 0.00 0.00 0.00 179.25 179.93 1swm h GLY 23 N 0.35 1.24 1.22 0.00 0.00 -1.93 -0.94 103.07 103.01 1swm h GLY 23 Ca 0.12 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1swm h GLY 23 CO -0.06 0.67 -0.25 0.45 0.00 0.00 0.00 176.54 177.34 1swm h HIS 24 N 1.11 1.02 -0.46 5.60 3.86 -1.17 -2.54 115.15 122.56 1swm h HIS 24 Ca 0.25 -0.25 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1swm h HIS 24 Cb 0.28 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1swm h HIS 24 CO 0.02 1.04 0.10 0.78 0.86 0.00 0.00 177.93 180.74 1swm h GLY 25 N 0.91 0.79 0.98 2.45 0.00 -0.33 -1.38 103.07 106.50 1swm h GLY 25 Ca 0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1swm h GLY 25 CO 0.07 0.47 -0.04 -1.61 0.00 0.00 0.00 176.54 175.43 1swm h GLN 26 N 0.61 -0.11 -0.90 4.80 4.15 -1.14 -2.02 115.11 120.51 1swm h GLN 26 Ca 0.14 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1swm h GLN 26 Cb 0.33 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1swm h GLN 26 CO 0.00 -0.05 0.49 -0.44 -1.93 0.00 0.00 178.83 176.90 1swm h ASP 27 N -0.13 1.13 0.43 -0.69 3.32 -1.33 -1.50 116.42 117.65 1swm h ASP 27 Ca -0.01 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1swm h ASP 27 Cb 0.10 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1swm h ASP 27 CO 0.02 0.91 -0.21 0.40 -1.72 0.00 0.00 179.24 178.64 1swm h ILE 28 N 1.26 0.57 -0.82 0.35 2.04 -1.06 -1.62 117.51 118.23 1swm h ILE 28 Ca 0.32 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 66.14 1swm h ILE 28 Cb 0.03 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1swm h ILE 28 CO -0.05 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.45 1swm h LEU 29 N -0.59 1.05 -0.75 1.44 3.38 -1.25 -0.59 115.31 118.00 1swm h LEU 29 Ca -0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1swm h LEU 29 Cb 0.45 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1swm h LEU 29 CO 0.10 0.87 0.24 0.40 0.09 0.00 0.00 178.44 180.14 1swm h ILE 30 N 1.16 1.26 -0.69 1.22 2.04 -1.23 0.19 117.51 121.46 1swm h ILE 30 Ca 0.28 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1swm h ILE 30 Cb 0.09 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1swm h ILE 30 CO -0.04 0.35 0.34 -0.09 0.00 0.00 0.00 178.15 178.72 1swm h ARG 31 N 1.11 0.99 -0.29 2.37 9.65 -1.02 0.16 114.38 127.34 1swm h ARG 31 Ca 0.24 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1swm h ARG 31 Cb 0.29 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1swm h ARG 31 CO -0.01 0.77 0.11 1.25 2.80 0.00 0.00 179.97 184.89 1swm h LEU 32 N 0.96 0.41 -1.04 3.80 5.85 -0.67 -0.82 115.31 123.80 1swm h LEU 32 Ca 0.24 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1swm h LEU 32 Cb 0.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1swm h LEU 32 CO -0.03 0.47 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.99 1swm h PHE 33 N 0.32 0.38 0.19 1.25 0.04 -0.14 -0.72 116.94 118.26 1swm h PHE 33 Ca 0.10 -0.08 -0.31 0.00 2.80 0.00 0.00 57.97 60.48 1swm h PHE 33 Cb 0.20 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.28 1swm h PHE 33 CO -0.00 0.60 -1.36 0.87 -0.60 0.00 0.00 178.31 177.82 1swm h LYS 34 N 0.30 0.45 -0.14 1.51 1.57 -0.54 -3.10 116.57 116.61 1swm h LYS 34 Ca 0.04 -0.74 -0.16 0.00 -1.87 0.00 0.00 60.65 57.92 1swm h LYS 34 Cb 0.66 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1swm h LYS 34 CO 0.05 1.35 -0.60 0.77 -0.57 0.00 0.00 179.45 180.44 1swm h SER 35 N 0.14 0.54 -2.51 0.86 0.02 -1.07 -3.38 113.55 108.15 1swm h SER 35 Ca -0.20 -0.31 -0.60 0.00 -0.84 0.00 0.00 61.79 59.85 1swm h SER 35 Cb 2.06 -0.16 -0.39 0.00 0.14 0.00 0.00 62.40 64.05 1swm h SER 35 CO 0.24 1.02 -0.89 1.41 -1.14 0.00 0.00 176.83 177.47 1swm n HIS 36 N -3.92 -0.04 0.11 3.45 8.25 -0.28 -5.00 115.22 117.78 1swm n HIS 36 Ca -0.03 -3.52 0.19 0.00 -0.26 0.00 0.00 57.72 54.10 1swm n HIS 36 Cb 0.63 0.08 0.76 0.00 1.12 0.00 0.00 29.99 32.58 1swm n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1swm h PRO 37 N 5.57 0.00 0.00 -0.41 0.11 -1.73 0.15 132.00 135.68 1swm h PRO 37 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1swm h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1swm h PRO 37 CO 0.45 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.25 1swm h GLU 38 N 0.00 0.00 -0.23 1.05 9.09 -1.93 -2.07 114.58 120.50 1swm h GLU 38 Ca 0.17 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.48 1swm h GLU 38 Cb 0.89 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 1swm h GLU 38 CO -0.00 0.03 -0.32 1.79 0.05 0.00 0.00 179.01 180.56 1swm h THR 39 N 0.00 1.28 0.00 -1.06 1.35 -1.29 -2.83 112.91 110.36 1swm h THR 39 Ca -0.00 -1.39 -0.03 0.00 -0.55 0.00 0.00 66.41 64.44 1swm h THR 39 Cb 0.21 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1swm h THR 39 CO 0.00 0.44 -0.16 0.25 -0.25 0.00 0.00 175.52 175.80 1swm h LEU 40 N 0.40 0.00 -2.34 3.87 5.85 -1.53 -2.46 115.31 119.10 1swm h LEU 40 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1swm h LEU 40 Cb 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1swm h LEU 40 CO 0.06 0.16 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.22 1swm h GLU 41 N 0.00 0.00 0.00 1.25 4.57 -1.57 -1.88 114.58 116.95 1swm h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1swm h GLU 41 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1swm h GLU 41 CO 0.02 0.02 0.00 1.63 -1.18 0.00 0.00 179.01 179.50 1swm n LYS 42 N -3.22 0.14 -3.62 1.92 4.76 -0.92 -4.59 118.16 112.63 1swm n LYS 42 Ca -0.02 0.25 -0.39 0.00 -2.87 0.00 0.00 58.31 55.28 1swm n LYS 42 Cb 0.17 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 31.55 1swm n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1swm s PHE 43 N -3.13 3.48 0.54 2.13 0.40 -0.70 -4.88 117.98 115.81 1swm s PHE 43 Ca 0.08 -2.08 0.20 0.00 -0.60 0.00 0.00 56.93 54.53 1swm s PHE 43 Cb 0.12 -3.42 1.43 0.00 0.51 0.00 0.00 43.02 41.67 1swm s PHE 43 CO 0.45 -0.98 2.18 -0.44 0.70 0.00 0.00 175.22 177.13 1swm h ASP 44 N 8.23 0.00 1.16 1.36 3.32 -1.84 -0.27 116.42 128.39 1swm h ASP 44 Ca -0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1swm h ASP 44 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1swm h ASP 44 CO 0.80 0.00 -0.04 0.08 -1.72 0.00 0.00 179.24 178.37 1swm h ARG 45 N 0.00 0.00 -0.00 3.56 0.11 -1.94 -3.30 114.38 112.81 1swm h ARG 45 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1swm h ARG 45 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1swm h ARG 45 CO 0.00 0.04 -0.00 1.19 0.10 0.00 0.00 179.97 181.30 1swm n PHE 46 N -3.14 0.00 0.31 4.08 3.72 -0.25 -4.78 117.46 117.40 1swm n PHE 46 Ca 0.01 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.59 1swm n PHE 46 Cb 0.36 0.00 0.95 0.00 -0.94 0.00 0.00 39.48 39.85 1swm n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1swm h LYS 47 N 0.01 0.00 -0.00 -1.08 1.57 -1.26 -2.07 116.57 113.73 1swm h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1swm h LYS 47 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1swm h LYS 47 CO 0.00 0.00 -0.02 -2.39 -0.57 0.00 0.00 179.45 176.47 1swm n HIS 48 N -3.12 0.00 -2.70 -1.35 1.44 -1.26 -4.81 115.22 103.42 1swm n HIS 48 Ca -0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 1swm n HIS 48 Cb 0.28 -0.42 -0.03 0.00 0.12 0.00 0.00 29.99 29.95 1swm n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1swm s LEU 49 N -2.85 4.25 -0.13 2.39 1.43 -0.78 -4.93 118.68 118.06 1swm s LEU 49 Ca 0.19 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1swm s LEU 49 Cb 0.19 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1swm s LEU 49 CO 0.51 -0.43 -0.12 0.29 0.23 0.00 0.00 176.35 176.84 1swm n LYS 50 N 4.92 0.39 -4.12 1.70 5.02 -1.26 -5.00 118.16 119.81 1swm n LYS 50 Ca 0.08 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.22 1swm n LYS 50 Cb 0.49 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 1swm n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1swm s THR 51 N -2.27 3.40 0.27 -0.18 -4.23 -1.26 -4.99 115.64 106.38 1swm s THR 51 Ca -0.18 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1swm s THR 51 Cb 0.05 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.97 1swm s THR 51 CO 0.32 -0.25 1.77 -0.08 -0.54 0.00 0.00 174.62 175.83 1swm h GLU 52 N 1.59 0.73 -0.58 3.99 4.81 -1.99 -0.43 114.58 122.70 1swm h GLU 52 Ca -0.45 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.54 1swm h GLU 52 Cb 1.25 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1swm h GLU 52 CO 0.62 0.76 0.17 0.00 -0.73 0.00 0.00 179.01 179.82 1swm h ALA 53 N 1.29 1.21 -0.39 2.92 0.00 -1.99 -0.43 119.26 121.86 1swm h ALA 53 Ca 0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1swm h ALA 53 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1swm h ALA 53 CO 0.02 0.55 -0.25 0.93 0.00 0.00 0.00 179.25 180.51 1swm h GLU 54 N 0.85 0.81 -0.61 0.00 5.08 -1.74 -2.05 114.58 116.91 1swm h GLU 54 Ca 0.19 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1swm h GLU 54 Cb 0.27 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1swm h GLU 54 CO -0.01 0.97 0.22 0.52 -1.00 0.00 0.00 179.01 179.71 1swm h MET 55 N 0.70 0.93 0.00 2.33 2.86 -0.65 -2.31 114.93 118.79 1swm h MET 55 Ca 0.09 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1swm h MET 55 Cb 0.78 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1swm h MET 55 CO 0.06 0.81 -0.32 0.87 1.06 0.00 0.00 176.91 179.40 1swm h LYS 56 N 0.86 0.00 0.00 1.72 1.57 -0.89 -2.86 116.57 116.97 1swm h LYS 56 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1swm h LYS 56 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1swm h LYS 56 CO -0.01 0.32 -0.24 0.00 -0.57 0.00 0.00 179.45 178.94 1swm n ALA 57 N -2.41 2.54 -2.12 3.86 0.00 -0.79 -4.85 120.51 116.74 1swm n ALA 57 Ca -0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1swm n ALA 57 Cb 0.38 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1swm n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1swm s SER 58 N -4.36 6.43 0.15 0.00 0.15 -0.95 -4.90 113.70 110.21 1swm s SER 58 Ca 0.09 1.65 0.07 0.00 0.70 0.00 0.00 55.95 58.46 1swm s SER 58 Cb 0.13 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1swm s SER 58 CO 0.64 -1.21 1.35 -0.08 1.20 0.00 0.00 173.24 175.14 1swm h GLU 59 N 10.52 0.03 -0.50 5.44 4.57 -1.89 -2.93 114.58 129.82 1swm h GLU 59 Ca -0.34 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.73 1swm h GLU 59 Cb 1.15 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 1swm h GLU 59 CO 1.00 0.93 0.02 0.22 -1.18 0.00 0.00 179.01 180.00 1swm h ASP 60 N 0.01 0.78 -0.49 1.04 3.58 -1.97 -0.92 116.42 118.46 1swm h ASP 60 Ca -0.02 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1swm h ASP 60 Cb 1.61 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 1swm h ASP 60 CO 0.12 0.83 0.21 0.25 -2.88 0.00 0.00 179.24 177.78 1swm h LEU 61 N 0.77 0.66 -0.88 2.28 5.85 -1.89 -1.91 115.31 120.19 1swm h LEU 61 Ca 0.15 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1swm h LEU 61 Cb 0.43 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1swm h LEU 61 CO 0.02 0.64 0.47 0.50 -0.34 0.00 0.00 178.44 179.73 1swm h LYS 62 N 0.65 1.24 -0.78 1.25 3.64 -1.30 -1.21 116.57 120.06 1swm h LYS 62 Ca 0.16 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1swm h LYS 62 Cb 0.17 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1swm h LYS 62 CO -0.02 0.91 0.35 0.87 -2.27 0.00 0.00 179.45 179.30 1swm h LYS 63 N 1.24 1.13 -0.33 1.90 1.57 -0.73 -2.26 116.57 119.09 1swm h LYS 63 Ca 0.31 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1swm h LYS 63 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1swm h LYS 63 CO -0.05 0.90 -0.19 1.25 -0.57 0.00 0.00 179.45 180.79 1swm h HIS 64 N 1.11 0.68 -0.93 -1.35 2.76 -0.84 -2.35 115.15 114.22 1swm h HIS 64 Ca 0.26 -0.14 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1swm h HIS 64 Cb 0.15 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.90 1swm h HIS 64 CO 0.01 0.76 0.60 0.78 -1.30 0.00 0.00 177.93 178.79 1swm h GLY 65 N 0.99 1.32 1.02 5.26 0.00 -0.78 0.24 103.07 111.11 1swm h GLY 65 Ca 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1swm h GLY 65 CO 0.04 0.50 0.11 -2.08 0.00 0.00 0.00 176.54 175.12 1swm h VAL 66 N 1.27 1.25 -0.34 4.60 2.07 -1.05 -1.73 116.25 122.33 1swm h VAL 66 Ca 0.34 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1swm h VAL 66 Cb -0.12 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1swm h VAL 66 CO -0.07 0.35 0.19 0.74 0.02 0.00 0.00 177.57 178.80 1swm h THR 67 N 0.84 1.03 -0.03 2.57 2.02 -0.79 0.82 112.91 119.37 1swm h THR 67 Ca 0.18 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1swm h THR 67 Cb 0.39 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1swm h THR 67 CO 0.01 0.07 0.02 0.58 0.37 0.00 0.00 175.52 176.57 1swm h VAL 68 N 0.40 1.08 -0.06 3.16 2.07 -0.84 -2.26 116.25 119.80 1swm h VAL 68 Ca 0.14 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1swm h VAL 68 Cb 0.01 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1swm h VAL 68 CO -0.07 0.07 -0.34 -0.07 0.02 0.00 0.00 177.57 177.18 1swm h LEU 69 N -0.05 0.11 -0.54 2.57 3.38 -1.20 -0.90 115.31 118.68 1swm h LEU 69 Ca 0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1swm h LEU 69 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1swm h LEU 69 CO -0.00 0.45 0.07 0.74 0.09 0.00 0.00 178.44 179.78 1swm h THR 70 N 0.10 1.26 -0.28 0.22 2.02 -0.72 -0.05 112.91 115.46 1swm h THR 70 Ca 0.01 -1.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.02 1swm h THR 70 Cb 0.65 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1swm h THR 70 CO 0.05 0.36 -0.51 0.00 0.37 0.00 0.00 175.52 175.78 1swm h ALA 71 N 0.98 0.56 -0.49 6.16 0.00 -1.07 -2.45 119.26 122.94 1swm h ALA 71 Ca 0.16 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1swm h ALA 71 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1swm h ALA 71 CO 0.01 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.17 1swm h LEU 72 N 0.62 0.88 -0.82 0.00 5.85 -1.06 -2.49 115.31 118.29 1swm h LEU 72 Ca 0.02 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1swm h LEU 72 Cb 1.10 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1swm h LEU 72 CO 0.11 0.99 0.54 1.23 -0.34 0.00 0.00 178.44 180.97 1swm h GLY 73 N 0.75 1.18 1.63 3.75 0.00 -0.93 -0.03 103.07 109.41 1swm h GLY 73 Ca 0.14 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1swm h GLY 73 CO 0.03 0.38 -0.05 0.00 0.00 0.00 0.00 176.54 176.90 1swm h ALA 74 N 1.32 1.37 0.06 3.60 0.00 -1.27 -1.62 119.26 122.73 1swm h ALA 74 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1swm h ALA 74 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1swm h ALA 74 CO -0.09 0.43 -0.03 0.82 0.00 0.00 0.00 179.25 180.38 1swm h ILE 75 N 0.44 1.20 -0.83 0.00 2.04 -0.76 -3.27 117.51 116.33 1swm h ILE 75 Ca 0.09 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.11 1swm h ILE 75 Cb 0.37 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1swm h ILE 75 CO 0.02 0.23 0.48 -0.07 0.00 0.00 0.00 178.15 178.80 1swm h LEU 76 N -0.51 0.68 0.00 1.44 3.38 -0.82 -0.66 115.31 118.82 1swm h LEU 76 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1swm h LEU 76 Cb 0.44 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1swm h LEU 76 CO 0.01 0.39 0.00 0.29 0.09 0.00 0.00 178.44 179.23 1swm n LYS 77 N -4.74 0.02 0.00 1.13 5.02 -0.63 -0.95 118.16 118.02 1swm n LYS 77 Ca 0.14 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 1swm n LYS 77 Cb 0.27 -1.50 0.31 0.00 -0.02 0.00 0.00 35.03 34.09 1swm n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1swm n LYS 78 N -1.45 0.66 -3.82 1.97 4.76 -0.26 -4.96 118.16 115.07 1swm n LYS 78 Ca 0.02 -0.41 -0.32 0.00 -2.87 0.00 0.00 58.31 54.73 1swm n LYS 78 Cb 0.07 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 1swm n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1swm n LYS 79 N -0.81 -1.61 0.00 1.97 5.02 -0.13 -1.38 118.16 121.22 1swm n LYS 79 Ca 0.10 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1swm n LYS 79 Cb 0.35 -3.98 0.00 0.00 -0.02 0.00 0.00 35.03 31.39 1swm n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1swm n GLY 80 N -1.84 3.08 2.52 0.72 0.00 -1.26 -4.92 105.19 103.49 1swm n GLY 80 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1swm n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1swm n HIS 81 N -1.17 2.64 -1.03 1.61 8.25 -0.48 -4.63 115.22 120.42 1swm n HIS 81 Ca 0.00 -2.76 0.06 0.00 -0.26 0.00 0.00 57.72 54.76 1swm n HIS 81 Cb 0.00 -1.68 0.27 0.00 1.12 0.00 0.00 29.99 29.71 1swm n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1swm n HIS 82 N 1.29 1.19 -0.15 4.41 1.44 -1.26 -4.74 115.22 117.41 1swm n HIS 82 Ca 0.59 -0.95 -0.03 0.00 -2.01 0.00 0.00 57.72 55.32 1swm n HIS 82 Cb 0.25 -0.38 0.05 0.00 0.12 0.00 0.00 29.99 30.03 1swm n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1swm h GLU 83 N 2.03 0.11 -0.45 -1.40 3.07 -1.99 -0.12 114.58 115.81 1swm h GLU 83 Ca 0.04 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1swm h GLU 83 Cb 1.59 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.46 1swm h GLU 83 CO 0.31 0.07 0.15 0.00 -1.40 0.00 0.00 179.01 178.14 1swm h ALA 84 N 1.43 1.42 0.01 3.43 0.00 -2.00 -2.46 119.26 121.08 1swm h ALA 84 Ca 0.24 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1swm h ALA 84 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1swm h ALA 84 CO -0.40 0.44 -1.16 0.93 0.00 0.00 0.00 179.25 179.05 1swm h GLU 85 N 0.65 0.03 -0.03 0.00 3.07 -1.75 -3.36 114.58 113.18 1swm h GLU 85 Ca 0.15 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.72 1swm h GLU 85 Cb 0.18 0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1swm h GLU 85 CO -0.01 0.93 -0.98 1.25 -1.40 0.00 0.00 179.01 178.79 1swm h LEU 86 N 0.01 0.87 -0.42 1.33 6.46 -0.84 -3.34 115.31 119.38 1swm h LEU 86 Ca -0.07 -0.68 0.08 0.00 -0.12 0.00 0.00 57.88 57.09 1swm h LEU 86 Cb 1.83 -0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 41.42 1swm h LEU 86 CO 0.13 1.48 -0.08 0.50 -0.62 0.00 0.00 178.44 179.85 1swm h LYS 87 N 0.40 0.03 -0.30 1.25 3.64 -1.60 0.19 116.57 120.18 1swm h LYS 87 Ca -0.11 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1swm h LYS 87 Cb 1.63 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1swm h LYS 87 CO 0.19 0.02 -0.19 -1.35 -2.27 0.00 0.00 179.45 175.85 1swm h PRO 88 N 0.03 0.55 -0.45 1.90 0.11 -1.77 -1.77 132.00 130.60 1swm h PRO 88 Ca 0.20 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 66.04 1swm h PRO 88 Cb 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1swm h PRO 88 CO -0.41 0.71 -0.07 1.25 -0.21 0.00 0.00 178.00 179.27 1swm h LEU 89 N 0.49 0.84 -0.47 2.35 6.46 -1.47 -1.72 115.31 121.79 1swm h LEU 89 Ca 0.08 -0.35 -0.08 0.00 -0.12 0.00 0.00 57.88 57.42 1swm h LEU 89 Cb 0.60 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1swm h LEU 89 CO 0.04 0.99 -0.01 0.00 -0.62 0.00 0.00 178.44 178.84 1swm h ALA 90 N 0.88 0.63 -0.51 1.25 0.00 -0.77 -1.03 119.26 119.71 1swm h ALA 90 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1swm h ALA 90 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1swm h ALA 90 CO 0.04 0.45 0.23 1.96 0.00 0.00 0.00 179.25 181.92 1swm h GLN 91 N 0.69 0.75 -0.42 0.00 4.20 -1.20 -0.89 115.11 118.24 1swm h GLN 91 Ca 0.13 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 1swm h GLN 91 Cb 0.52 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1swm h GLN 91 CO 0.03 0.64 -0.26 0.66 -0.67 0.00 0.00 178.83 179.23 1swm h SER 92 N 0.68 0.95 -0.09 1.46 4.64 -1.18 -1.19 113.55 118.82 1swm h SER 92 Ca 0.17 -0.42 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 1swm h SER 92 Cb 0.15 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1swm h SER 92 CO -0.02 1.17 -0.10 0.45 -0.87 0.00 0.00 176.83 177.45 1swm h HIS 93 N 0.73 0.43 0.01 4.77 3.86 -1.05 0.42 115.15 124.32 1swm h HIS 93 Ca 0.09 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1swm h HIS 93 Cb 0.84 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1swm h HIS 93 CO 0.06 0.50 -0.00 0.00 0.86 0.00 0.00 177.93 179.35 1swm h ALA 94 N 1.52 -0.01 0.00 2.45 0.00 -1.14 0.13 119.26 122.21 1swm h ALA 94 Ca 0.08 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1swm h ALA 94 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1swm h ALA 94 CO 0.02 -0.03 -1.68 0.25 0.00 0.00 0.00 179.25 177.81 1swm n THR 95 N -4.66 1.40 -0.11 0.00 -2.24 -0.45 -3.60 114.28 104.62 1swm n THR 95 Ca -0.09 -0.76 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 1swm n THR 95 Cb 0.40 -0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 1swm n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1swm n LYS 96 N -2.94 0.49 0.16 -0.78 4.81 0.06 -4.63 118.16 115.33 1swm n LYS 96 Ca -0.16 0.21 0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1swm n LYS 96 Cb 0.98 -1.33 0.06 0.00 0.02 0.00 0.00 35.03 34.76 1swm n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1swm h HIS 97 N -0.85 0.00 -5.09 5.64 3.86 -0.39 -3.48 115.15 114.84 1swm h HIS 97 Ca -0.48 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.49 1swm h HIS 97 Cb 1.39 0.00 0.16 0.00 1.06 0.00 0.00 27.41 30.01 1swm h HIS 97 CO -0.14 0.40 -0.69 1.63 0.86 0.00 0.00 177.93 179.99 1swm n LYS 98 N -3.21 -3.59 -3.58 2.45 4.76 -0.11 -5.00 118.16 109.88 1swm n LYS 98 Ca 0.02 0.73 -0.39 0.00 -2.87 0.00 0.00 58.31 55.80 1swm n LYS 98 Cb 0.69 -5.26 -0.11 0.00 -1.84 0.00 0.00 35.03 28.51 1swm n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1swm s ILE 99 N -3.32 5.07 0.58 -0.18 -1.09 0.28 -5.02 121.20 117.52 1swm s ILE 99 Ca 0.21 -0.23 -0.19 0.00 -2.23 0.00 0.00 60.65 58.22 1swm s ILE 99 Cb -0.03 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1swm s ILE 99 CO 0.62 0.05 1.20 -2.84 -1.23 0.00 0.00 174.94 172.74 1swm s PRO 100 N 1.69 3.06 0.46 2.79 0.02 -1.23 -4.66 135.00 137.14 1swm s PRO 100 Ca 0.06 1.80 0.17 0.00 0.02 0.00 0.00 61.00 63.05 1swm s PRO 100 Cb -0.17 -1.96 1.13 0.00 0.02 0.00 0.00 34.50 33.52 1swm s PRO 100 CO 0.09 -1.12 1.97 0.82 -0.33 0.00 0.00 177.00 178.42 1swm h ILE 101 N 0.98 0.83 -0.47 2.83 1.08 0.52 -1.84 117.51 121.43 1swm h ILE 101 Ca -0.50 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1swm h ILE 101 Cb 1.29 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1swm h ILE 101 CO 0.56 0.06 0.31 0.50 -0.69 0.00 0.00 178.15 178.88 1swm h LYS 102 N 0.31 0.56 0.00 2.37 1.63 -1.91 -0.54 116.57 118.99 1swm h LYS 102 Ca 0.30 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1swm h LYS 102 Cb 0.75 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1swm h LYS 102 CO -0.07 0.37 -0.29 1.88 -3.45 0.00 0.00 179.45 177.90 1swm h TYR 103 N 0.58 0.00 -0.07 1.91 -1.99 -1.69 -1.27 116.97 114.44 1swm h TYR 103 Ca 0.18 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.80 1swm h TYR 103 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1swm h TYR 103 CO -0.00 0.29 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.92 1swm h LEU 104 N 0.00 0.18 -0.60 3.88 3.38 -1.15 -1.70 115.31 119.30 1swm h LEU 104 Ca -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1swm h LEU 104 Cb 0.60 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1swm h LEU 104 CO 0.04 0.61 -0.08 -0.08 0.09 0.00 0.00 178.44 179.02 1swm h GLU 105 N 0.14 1.03 -0.52 1.13 4.81 -0.94 -2.03 114.58 118.19 1swm h GLU 105 Ca 0.01 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1swm h GLU 105 Cb 0.86 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1swm h GLU 105 CO 0.07 1.05 0.11 0.74 -0.73 0.00 0.00 179.01 180.25 1swm h PHE 106 N 0.92 0.89 -0.28 0.92 0.04 -0.89 -1.94 116.94 116.60 1swm h PHE 106 Ca 0.15 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 1swm h PHE 106 Cb 0.64 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1swm h PHE 106 CO 0.04 0.79 -0.16 0.97 -0.60 0.00 0.00 178.31 179.36 1swm h ILE 107 N 0.73 1.24 -0.44 -0.55 2.10 -1.28 -1.93 117.51 117.38 1swm h ILE 107 Ca 0.16 -1.08 0.04 0.00 1.08 0.00 0.00 64.86 65.06 1swm h ILE 107 Cb 0.36 1.19 -0.04 0.00 -1.09 0.00 0.00 36.82 37.24 1swm h ILE 107 CO 0.00 0.35 0.19 0.28 -1.08 0.00 0.00 178.15 177.90 1swm h SER 108 N 0.46 0.25 -0.80 2.19 0.02 -1.06 -0.08 113.55 114.52 1swm h SER 108 Ca 0.08 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1swm h SER 108 Cb 0.54 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1swm h SER 108 CO 0.03 0.18 0.42 -0.33 -1.14 0.00 0.00 176.83 175.99 1swm h GLU 109 N 0.38 1.15 -0.45 3.45 4.39 -0.92 -1.96 114.58 120.62 1swm h GLU 109 Ca 0.20 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1swm h GLU 109 Cb 0.14 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1swm h GLU 109 CO -0.17 0.86 -0.08 0.00 -1.16 0.00 0.00 179.01 178.46 1swm h ALA 110 N 1.31 1.00 -0.23 3.43 0.00 -0.72 -0.67 119.26 123.38 1swm h ALA 110 Ca 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1swm h ALA 110 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1swm h ALA 110 CO -0.04 0.60 0.06 0.82 0.00 0.00 0.00 179.25 180.69 1swm h ILE 111 N 0.73 1.20 -0.31 0.00 2.04 -0.60 -1.47 117.51 119.10 1swm h ILE 111 Ca 0.13 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1swm h ILE 111 Cb 0.56 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1swm h ILE 111 CO 0.03 0.21 0.19 0.40 0.00 0.00 0.00 178.15 178.98 1swm h ILE 112 N 0.20 1.11 -0.51 -0.67 2.04 -1.18 -0.13 117.51 118.37 1swm h ILE 112 Ca 0.07 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1swm h ILE 112 Cb 0.26 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1swm h ILE 112 CO -0.00 0.11 0.20 -0.74 0.00 0.00 0.00 178.15 177.71 1swm h HIS 113 N 0.40 0.36 -0.33 1.37 2.76 -0.99 -1.49 115.15 117.23 1swm h HIS 113 Ca 0.11 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1swm h HIS 113 Cb 0.00 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1swm h HIS 113 CO -0.04 0.13 -0.08 0.28 -1.30 0.00 0.00 177.93 176.92 1swm h VAL 114 N 0.39 1.28 -0.78 5.26 2.07 -0.97 -2.33 116.25 121.17 1swm h VAL 114 Ca 0.24 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1swm h VAL 114 Cb 0.24 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1swm h VAL 114 CO -0.23 0.36 0.51 -0.07 0.02 0.00 0.00 177.57 178.17 1swm h LEU 115 N 0.40 0.80 -0.18 2.57 3.38 -0.68 -1.91 115.31 119.69 1swm h LEU 115 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1swm h LEU 115 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1swm h LEU 115 CO 0.03 0.54 0.09 -0.74 0.09 0.00 0.00 178.44 178.45 1swm h HIS 116 N 0.92 0.27 -0.49 1.13 2.76 -1.06 0.11 115.15 118.78 1swm h HIS 116 Ca 0.32 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.43 1swm h HIS 116 Cb 0.10 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1swm h HIS 116 CO -0.00 0.29 0.12 0.77 -1.30 0.00 0.00 177.93 177.81 1swm h SER 117 N 0.16 0.69 0.12 3.26 0.02 -0.82 -3.18 113.55 113.80 1swm h SER 117 Ca 0.06 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1swm h SER 117 Cb 0.13 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1swm h SER 117 CO -0.01 0.69 -1.08 0.54 -1.14 0.00 0.00 176.83 175.83 1swm n ARG 118 N -4.29 0.13 -2.70 3.45 1.74 -0.79 -4.66 116.66 109.54 1swm n ARG 118 Ca 0.03 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1swm n ARG 118 Cb 0.22 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1swm n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1swm n HIS 119 N -1.67 0.39 -0.25 -1.55 8.25 0.37 -4.96 115.22 115.81 1swm n HIS 119 Ca 0.03 -2.69 -0.06 0.00 -0.26 0.00 0.00 57.72 54.74 1swm n HIS 119 Cb 0.38 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 1swm n HIS 119 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1swm n PRO 120 N -0.13 -0.26 0.29 -0.41 -0.01 -1.20 0.35 135.00 133.62 1swm n PRO 120 Ca 0.08 1.24 0.18 0.00 -0.01 0.00 0.00 63.50 64.98 1swm n PRO 120 Cb 0.81 -1.83 0.91 0.00 -0.01 0.00 0.00 33.50 33.38 1swm n PRO 120 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 1swm h GLY 121 N 0.00 0.00 -0.77 -1.23 0.00 -1.92 0.41 103.07 99.55 1swm h GLY 121 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1swm h GLY 121 CO -0.55 0.00 -0.02 1.22 0.00 0.00 0.00 176.54 177.19 1swm n ASP 122 N -3.19 1.77 -2.92 0.19 8.00 -0.13 -4.68 116.55 115.59 1swm n ASP 122 Ca -0.01 -1.39 -0.27 0.00 0.71 0.00 0.00 54.79 53.84 1swm n ASP 122 Cb 0.32 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1swm n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1swm n PHE 123 N 0.48 3.89 -1.96 1.24 7.35 0.15 -4.76 117.46 123.85 1swm n PHE 123 Ca 0.06 -3.93 -0.21 0.00 -0.76 0.00 0.00 57.45 52.60 1swm n PHE 123 Cb 0.25 -0.46 0.14 0.00 0.35 0.00 0.00 39.48 39.75 1swm n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1swm n GLY 124 N -0.25 -0.77 0.30 7.13 0.00 -1.23 -4.71 105.19 105.67 1swm n GLY 124 Ca 0.31 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.62 1swm n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swm h ALA 125 N -1.45 1.28 -0.60 4.61 0.00 -1.96 0.15 119.26 121.28 1swm h ALA 125 Ca -0.31 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1swm h ALA 125 Cb 0.93 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1swm h ALA 125 CO 0.25 -0.17 0.20 0.38 0.00 0.00 0.00 179.25 179.91 1swm h ASP 126 N 0.54 0.86 0.00 0.00 2.03 -1.99 -0.46 116.42 117.39 1swm h ASP 126 Ca 0.48 -0.20 -0.18 0.00 -0.73 0.00 0.00 57.03 56.40 1swm h ASP 126 Cb 0.75 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1swm h ASP 126 CO -0.41 0.82 -0.63 0.00 -1.03 0.00 0.00 179.24 178.00 1swm h ALA 127 N 1.07 0.58 -0.60 4.15 0.00 -1.61 -2.50 119.26 120.35 1swm h ALA 127 Ca 0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1swm h ALA 127 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1swm h ALA 127 CO -0.01 0.70 0.17 0.37 0.00 0.00 0.00 179.25 180.49 1swm h GLN 128 N 0.45 0.94 -0.65 0.00 4.15 -0.52 0.29 115.11 119.77 1swm h GLN 128 Ca -0.01 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.16 1swm h GLN 128 Cb 1.20 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 1swm h GLN 128 CO 0.12 0.84 0.26 0.78 -1.93 0.00 0.00 178.83 178.91 1swm h GLY 129 N 0.85 1.04 1.01 2.39 0.00 -1.01 -0.84 103.07 106.52 1swm h GLY 129 Ca 0.19 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1swm h GLY 129 CO -0.00 0.53 0.18 0.00 0.00 0.00 0.00 176.54 177.25 1swm h ALA 130 N 1.11 0.80 -0.73 3.60 0.00 -1.20 -1.60 119.26 121.24 1swm h ALA 130 Ca 0.22 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1swm h ALA 130 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1swm h ALA 130 CO -0.02 0.49 0.23 1.98 0.00 0.00 0.00 179.25 181.93 1swm h MET 131 N 0.88 1.13 -0.45 0.00 -1.53 -0.64 -1.35 114.93 112.97 1swm h MET 131 Ca 0.20 -0.24 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 1swm h MET 131 Cb 0.31 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 1swm h MET 131 CO -0.00 0.96 0.25 -0.97 0.14 0.00 0.00 176.91 177.29 1swm h ASN 132 N 1.09 0.56 -0.69 1.39 -1.24 -0.88 -0.90 115.58 114.90 1swm h ASN 132 Ca 0.24 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1swm h ASN 132 Cb 0.30 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 1swm h ASN 132 CO -0.01 0.48 0.33 0.11 -1.29 0.00 0.00 177.43 177.05 1swm h LYS 133 N 0.59 1.01 -0.47 6.67 1.57 -0.80 -0.48 116.57 124.67 1swm h LYS 133 Ca 0.16 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1swm h LYS 133 Cb 0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1swm h LYS 133 CO -0.03 0.79 0.01 0.00 -0.57 0.00 0.00 179.45 179.65 1swm h ALA 134 N 1.35 0.63 0.00 3.86 0.00 -0.92 -0.93 119.26 123.25 1swm h ALA 134 Ca 0.24 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1swm h ALA 134 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1swm h ALA 134 CO -0.03 0.42 -0.46 -0.07 0.00 0.00 0.00 179.25 179.11 1swm h LEU 135 N 0.68 0.00 -0.24 0.00 3.38 -0.86 -1.53 115.31 116.73 1swm h LEU 135 Ca 0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1swm h LEU 135 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1swm h LEU 135 CO 0.02 0.46 -0.88 -0.33 0.09 0.00 0.00 178.44 177.80 1swm h GLU 136 N 0.00 0.40 -0.75 1.13 5.08 -0.84 -1.98 114.58 117.62 1swm h GLU 136 Ca -0.00 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1swm h GLU 136 Cb 0.88 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1swm h GLU 136 CO 0.06 1.06 0.24 1.25 -1.00 0.00 0.00 179.01 180.62 1swm h LEU 137 N 0.24 1.08 -0.16 1.33 5.85 -0.89 0.10 115.31 122.87 1swm h LEU 137 Ca -0.06 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1swm h LEU 137 Cb 1.50 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1swm h LEU 137 CO 0.15 1.00 0.09 0.15 -0.34 0.00 0.00 178.44 179.49 1swm h PHE 138 N 1.11 0.18 -0.25 1.25 3.57 -1.17 -1.17 116.94 120.46 1swm h PHE 138 Ca 0.24 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1swm h PHE 138 Cb 0.30 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1swm h PHE 138 CO 0.03 0.11 -0.31 0.00 -2.23 0.00 0.00 178.31 175.90 1swm h ARG 139 N 0.20 0.52 -0.49 1.11 3.08 -1.13 -1.69 114.38 115.97 1swm h ARG 139 Ca 0.06 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1swm h ARG 139 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1swm h ARG 139 CO -0.02 0.77 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.30 1swm h LYS 140 N 0.44 0.94 -0.45 0.04 3.64 -0.43 0.24 116.57 120.99 1swm h LYS 140 Ca 0.06 -0.36 -0.13 0.00 -1.27 0.00 0.00 60.65 58.95 1swm h LYS 140 Cb 0.76 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1swm h LYS 140 CO 0.06 1.02 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.60 1swm h ASP 141 N 0.79 0.95 -0.41 4.20 3.32 -1.07 -2.15 116.42 122.05 1swm h ASP 141 Ca 0.12 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 1swm h ASP 141 Cb 0.68 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1swm h ASP 141 CO 0.05 1.13 0.03 0.40 -1.72 0.00 0.00 179.24 179.12 1swm h ILE 142 N 0.80 1.25 -0.73 0.35 2.04 -1.15 -2.79 117.51 117.28 1swm h ILE 142 Ca 0.10 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1swm h ILE 142 Cb 0.78 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1swm h ILE 142 CO 0.06 0.33 0.48 0.00 0.00 0.00 0.00 178.15 179.02 1swm h ALA 143 N 0.90 1.53 -0.49 1.87 0.00 -0.80 -0.07 119.26 122.21 1swm h ALA 143 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1swm h ALA 143 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1swm h ALA 143 CO 0.02 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 1swm h ALA 144 N 1.56 1.02 -0.53 0.00 0.00 -1.14 -0.10 119.26 120.07 1swm h ALA 144 Ca 0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1swm h ALA 144 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1swm h ALA 144 CO -0.07 0.60 -0.12 0.87 0.00 0.00 0.00 179.25 180.53 1swm h LYS 145 N 0.78 1.02 -0.72 0.00 6.56 -0.95 -2.67 116.57 120.59 1swm h LYS 145 Ca 0.14 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 1swm h LYS 145 Cb 0.51 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 1swm h LYS 145 CO 0.03 1.07 0.45 1.88 -2.06 0.00 0.00 179.45 180.82 1swm h TYR 146 N 0.89 0.92 -0.88 -1.35 -1.99 -0.62 -2.03 116.97 111.92 1swm h TYR 146 Ca 0.14 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.88 1swm h TYR 146 Cb 0.69 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 1swm h TYR 146 CO 0.05 0.61 0.57 -0.22 -0.00 0.00 0.00 178.16 179.17 1swm h LYS 147 N 0.97 1.17 -0.10 4.88 3.64 -0.77 -0.48 116.57 125.88 1swm h LYS 147 Ca 0.26 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1swm h LYS 147 Cb -0.07 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.47 1swm h LYS 147 CO -0.05 0.78 -0.06 1.49 -2.27 0.00 0.00 179.45 179.34 1swm h GLU 148 N 1.20 -0.06 0.00 1.90 4.81 -1.14 -1.77 114.58 119.52 1swm h GLU 148 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1swm h GLU 148 Cb -0.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1swm h GLU 148 CO -0.07 -0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.45 1swm n LEU 149 N -5.19 0.00 0.00 1.64 4.77 -0.80 -4.90 117.00 112.52 1swm n LEU 149 Ca -0.04 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1swm n LEU 149 Cb 0.12 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1swm n LEU 149 CO 0.27 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1swm n GLY 150 N 0.30 0.73 0.18 -0.72 0.00 -0.54 -4.96 105.19 100.17 1swm n GLY 150 Ca 0.06 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.69 1swm n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1swm n TYR 151 N -2.45 0.00 0.00 1.61 4.02 -0.30 -5.02 117.16 115.02 1swm n TYR 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1swm n TYR 151 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1swm n TYR 151 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1swm n GLN 152 N -0.22 0.00 -0.31 -0.72 -0.06 -1.09 -4.89 117.38 110.09 1swm n GLN 152 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 1swm n GLN 152 Cb 0.15 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.33 1swm n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27