#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5l s LEU 2 N 0.00 4.19 0.84 0.99 1.02 -1.26 -5.09 118.68 119.37 2o5l s LEU 2 Ca 0.00 0.75 -0.12 0.00 0.02 0.00 0.00 54.13 54.78 2o5l s LEU 2 Cb 0.00 -3.51 0.10 0.00 0.02 0.00 0.00 46.19 42.80 2o5l s LEU 2 CO 0.00 -0.05 1.11 -0.94 0.02 0.00 0.00 176.35 176.50 2o5l s SER 3 N -2.55 4.10 0.22 2.29 1.04 -1.26 -4.83 113.70 112.71 2o5l s SER 3 Ca 0.44 1.16 -0.08 0.00 0.48 0.00 0.00 55.95 57.96 2o5l s SER 3 Cb -0.11 -1.83 0.36 0.00 0.10 0.00 0.00 66.02 64.53 2o5l s SER 3 CO 0.24 -2.20 1.71 0.44 0.98 0.00 0.00 173.24 174.41 2o5l h ASP 4 N -1.25 0.10 -0.71 7.02 3.32 -1.99 -0.43 116.42 122.48 2o5l h ASP 4 Ca -0.48 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 2o5l h ASP 4 Cb 1.29 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.94 2o5l h ASP 4 CO 0.60 0.04 0.44 1.23 -1.72 0.00 0.00 179.24 179.84 2o5l h GLY 5 N 0.32 1.03 0.85 2.75 0.00 -1.99 -1.09 103.07 104.93 2o5l h GLY 5 Ca 0.35 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2o5l h GLY 5 CO -0.41 0.40 0.03 0.83 0.00 0.00 0.00 176.54 177.39 2o5l h GLU 6 N 0.97 0.38 -0.77 4.80 5.08 -1.81 -1.57 114.58 121.66 2o5l h GLU 6 Ca 0.26 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2o5l h GLU 6 Cb -0.05 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 2o5l h GLU 6 CO -0.05 0.53 0.45 -1.49 -1.00 0.00 0.00 179.01 177.45 2o5l h TRP 7 N 0.18 0.82 -0.71 4.33 -0.00 -0.86 0.44 115.95 120.15 2o5l h TRP 7 Ca 0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.97 2o5l h TRP 7 Cb 0.34 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 29.22 2o5l h TRP 7 CO 0.02 0.38 0.39 0.37 -0.00 0.00 0.00 178.44 179.60 2o5l h GLN 8 N 0.80 0.99 -0.47 0.49 4.15 -0.93 -0.08 115.11 120.06 2o5l h GLN 8 Ca 0.35 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.67 2o5l h GLN 8 Cb 0.24 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2o5l h GLN 8 CO -0.20 0.74 0.29 1.96 -1.93 0.00 0.00 178.83 179.69 2o5l h GLN 9 N 0.97 0.57 -0.23 1.69 4.20 -0.67 -0.01 115.11 121.64 2o5l h GLN 9 Ca 0.25 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.97 2o5l h GLN 9 Cb 0.04 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2o5l h GLN 9 CO -0.04 0.38 -0.03 0.28 -0.67 0.00 0.00 178.83 178.75 2o5l h VAL 10 N 0.59 0.80 0.00 -0.54 2.07 -0.27 -0.54 116.25 118.36 2o5l h VAL 10 Ca 0.18 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 2o5l h VAL 10 Cb -0.03 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2o5l h VAL 10 CO -0.06 0.01 -0.23 -0.07 0.02 0.00 0.00 177.57 177.23 2o5l h LEU 11 N 0.03 0.00 0.01 2.57 3.38 -0.88 -0.10 115.31 120.33 2o5l h LEU 11 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2o5l h LEU 11 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2o5l h LEU 11 CO -0.21 0.23 -0.01 -1.13 0.09 0.00 0.00 178.44 177.42 2o5l h ASN 12 N 0.00 -0.01 -0.65 -0.43 -0.73 -0.54 -2.73 115.58 110.49 2o5l h ASN 12 Ca -0.00 -0.45 0.10 0.00 1.87 0.00 0.00 56.30 57.82 2o5l h ASN 12 Cb 0.83 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.34 2o5l h ASN 12 CO 0.03 0.44 0.26 0.58 -0.37 0.00 0.00 177.43 178.37 2o5l h VAL 13 N -0.47 0.75 -0.24 2.57 2.07 -0.94 -2.28 116.25 117.71 2o5l h VAL 13 Ca -0.00 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2o5l h VAL 13 Cb 0.46 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2o5l h VAL 13 CO 0.00 0.08 0.16 -0.25 0.02 0.00 0.00 177.57 177.59 2o5l h TRP 14 N 0.44 0.15 -0.95 1.57 2.91 -0.93 -0.07 115.95 119.07 2o5l h TRP 14 Ca 0.34 0.00 0.18 0.00 1.13 0.00 0.00 58.89 60.54 2o5l h TRP 14 Cb 0.43 -0.05 -0.10 0.00 -0.51 0.00 0.00 29.16 28.93 2o5l h TRP 14 CO -0.16 0.09 0.55 0.78 -1.03 0.00 0.00 178.44 178.66 2o5l h GLY 15 N 0.15 1.66 0.87 2.65 0.00 -1.09 0.06 103.07 107.37 2o5l h GLY 15 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.14 2o5l h GLY 15 CO -0.02 -0.07 0.35 0.50 0.00 0.00 0.00 176.54 177.31 2o5l h LYS 16 N 0.71 0.67 -0.63 4.80 1.57 -1.07 -2.88 116.57 119.73 2o5l h LYS 16 Ca 0.54 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.21 2o5l h LYS 16 Cb 0.83 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2o5l h LYS 16 CO -0.38 0.44 0.12 0.28 -0.57 0.00 0.00 179.45 179.33 2o5l h VAL 17 N 0.69 1.26 0.00 0.50 2.07 -1.05 -2.86 116.25 116.86 2o5l h VAL 17 Ca 0.23 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2o5l h VAL 17 Cb 0.03 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2o5l h VAL 17 CO -0.10 0.37 0.00 -0.33 0.02 0.00 0.00 177.57 177.53 2o5l h GLU 18 N 0.95 0.00 0.00 1.57 5.08 -0.93 -1.63 114.58 119.61 2o5l h GLU 18 Ca 0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2o5l h GLU 18 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2o5l h GLU 18 CO 0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 179.01 177.86 2o5l h ALA 19 N 2.02 0.98 -0.87 3.43 0.00 -1.30 -3.36 119.26 120.16 2o5l h ALA 19 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 2o5l h ALA 19 Cb 0.26 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.79 2o5l h ALA 19 CO 0.00 0.19 -0.70 -3.47 0.00 0.00 0.00 179.25 175.27 2o5l n ASP 20 N -3.26 -1.95 -0.01 0.00 2.03 -0.81 -5.02 116.55 107.53 2o5l n ASP 20 Ca 0.01 -3.01 -0.11 0.00 0.52 0.00 0.00 54.79 52.20 2o5l n ASP 20 Cb 0.43 0.96 -0.05 0.00 -0.72 0.00 0.00 41.12 41.75 2o5l n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o5l h ILE 21 N 3.12 1.01 -0.61 5.18 6.09 -1.48 -1.60 117.51 129.22 2o5l h ILE 21 Ca -0.03 -0.05 0.03 0.00 -1.37 0.00 0.00 64.86 63.44 2o5l h ILE 21 Cb 0.99 0.86 -0.04 0.00 0.47 0.00 0.00 36.82 39.10 2o5l h ILE 21 CO 0.33 0.03 0.38 0.00 -3.07 0.00 0.00 178.15 175.81 2o5l h ALA 22 N 1.05 0.79 -0.24 0.18 0.00 -1.88 0.40 119.26 119.56 2o5l h ALA 22 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2o5l h ALA 22 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2o5l h ALA 22 CO -0.02 0.12 0.03 0.78 0.00 0.00 0.00 179.25 180.16 2o5l h GLY 23 N 0.75 0.45 0.93 0.00 0.00 -1.89 0.79 103.07 104.09 2o5l h GLY 23 Ca 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 2o5l h GLY 23 CO -0.10 0.29 0.09 0.45 0.00 0.00 0.00 176.54 177.27 2o5l h HIS 24 N 0.21 0.65 -0.09 5.60 -0.00 -1.22 -1.82 115.15 118.49 2o5l h HIS 24 Ca 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2o5l h HIS 24 Cb 0.36 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2o5l h HIS 24 CO 0.03 0.63 0.06 0.78 -0.00 0.00 0.00 177.93 179.42 2o5l h GLY 25 N 0.48 0.12 0.51 2.45 0.00 -0.73 -0.52 103.07 105.38 2o5l h GLY 25 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.46 2o5l h GLY 25 CO 0.00 0.04 0.02 -1.61 0.00 0.00 0.00 176.54 175.00 2o5l h GLN 26 N 0.12 0.12 -0.38 4.80 4.15 -0.78 -1.72 115.11 121.42 2o5l h GLN 26 Ca 0.03 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 2o5l h GLN 26 Cb -0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2o5l h GLN 26 CO -0.01 0.08 -0.14 0.93 -1.93 0.00 0.00 178.83 177.76 2o5l h GLU 27 N 0.13 0.68 -0.05 1.69 5.08 -1.09 -0.02 114.58 121.00 2o5l h GLU 27 Ca 0.16 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2o5l h GLU 27 Cb 0.21 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2o5l h GLU 27 CO -0.25 0.80 0.03 0.28 -1.00 0.00 0.00 179.01 178.87 2o5l h VAL 28 N 0.62 1.02 -0.30 3.13 2.07 -0.78 -0.52 116.25 121.48 2o5l h VAL 28 Ca 0.10 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2o5l h VAL 28 Cb 0.60 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2o5l h VAL 28 CO 0.04 0.01 0.02 -0.07 0.02 0.00 0.00 177.57 177.59 2o5l h LEU 29 N 0.06 0.51 -0.70 2.57 3.38 -0.95 -0.42 115.31 119.75 2o5l h LEU 29 Ca 0.02 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2o5l h LEU 29 Cb -0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2o5l h LEU 29 CO -0.00 0.68 0.42 0.40 0.09 0.00 0.00 178.44 180.02 2o5l h ILE 30 N 0.33 1.03 -0.33 1.22 2.04 -0.95 0.66 117.51 121.51 2o5l h ILE 30 Ca 0.09 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2o5l h ILE 30 Cb 0.40 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2o5l h ILE 30 CO 0.01 0.14 0.19 -0.09 0.00 0.00 0.00 178.15 178.41 2o5l h ARG 31 N 0.79 0.39 -0.05 2.37 9.65 -0.81 -0.72 114.38 126.00 2o5l h ARG 31 Ca 0.30 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.17 2o5l h ARG 31 Cb 0.11 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2o5l h ARG 31 CO -0.15 0.26 -0.03 1.25 2.80 0.00 0.00 179.97 184.10 2o5l h LEU 32 N 0.40 -0.10 -0.38 3.80 5.85 -0.49 -1.65 115.31 122.73 2o5l h LEU 32 Ca 0.13 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 2o5l h LEU 32 Cb -0.00 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2o5l h LEU 32 CO -0.06 -0.04 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.21 2o5l h PHE 33 N -0.03 0.98 -0.04 1.25 0.04 -0.73 -0.12 116.94 118.30 2o5l h PHE 33 Ca 0.03 -0.34 -0.25 0.00 2.80 0.00 0.00 57.97 60.21 2o5l h PHE 33 Cb 0.08 -0.19 0.02 0.00 2.20 0.00 0.00 35.95 38.06 2o5l h PHE 33 CO -0.13 1.14 -0.97 1.79 -0.60 0.00 0.00 178.31 179.55 2o5l h THR 34 N 0.61 1.28 0.00 -1.55 1.35 -1.18 -2.73 112.91 110.69 2o5l h THR 34 Ca 0.02 -2.16 -0.10 0.00 -0.55 0.00 0.00 66.41 63.62 2o5l h THR 34 Cb 1.11 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 2o5l h THR 34 CO 0.11 0.67 -0.46 1.23 -0.25 0.00 0.00 175.52 176.83 2o5l h GLY 35 N 0.43 0.00 -6.06 5.82 0.00 -1.27 -3.38 103.07 98.60 2o5l h GLY 35 Ca -0.11 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.70 2o5l h GLY 35 CO 0.19 0.00 -0.94 1.42 0.00 0.00 0.00 176.54 177.21 2o5l n HIS 36 N -3.49 -1.22 0.24 5.60 8.25 -0.06 -5.01 115.22 119.53 2o5l n HIS 36 Ca 0.00 -3.09 0.17 0.00 -0.26 0.00 0.00 57.72 54.54 2o5l n HIS 36 Cb 0.59 0.30 0.88 0.00 1.12 0.00 0.00 29.99 32.88 2o5l n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2o5l h PRO 37 N 5.07 0.00 0.00 -0.41 0.11 -1.68 0.29 132.00 135.38 2o5l h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 2o5l h PRO 37 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2o5l h PRO 37 CO 0.35 0.00 -0.00 1.05 -0.21 0.00 0.00 178.00 179.19 2o5l h GLU 38 N 0.00 0.00 -0.18 1.05 9.09 -1.93 -1.39 114.58 121.23 2o5l h GLU 38 Ca 0.06 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.35 2o5l h GLU 38 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 2o5l h GLU 38 CO -0.00 0.00 -0.40 1.79 0.05 0.00 0.00 179.01 180.45 2o5l h THR 39 N 0.00 1.31 -0.55 -1.06 1.35 -1.26 -2.40 112.91 110.30 2o5l h THR 39 Ca -0.00 -1.54 0.05 0.00 -0.55 0.00 0.00 66.41 64.37 2o5l h THR 39 Cb 0.01 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 2o5l h THR 39 CO 0.00 0.47 0.36 0.25 -0.25 0.00 0.00 175.52 176.36 2o5l h LEU 40 N 0.33 0.47 -1.32 3.87 5.85 -1.38 -1.76 115.31 121.37 2o5l h LEU 40 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2o5l h LEU 40 Cb 0.85 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2o5l h LEU 40 CO 0.07 0.31 0.00 -0.33 -0.34 0.00 0.00 178.44 178.15 2o5l h GLU 41 N 0.53 0.00 0.00 1.25 4.39 -1.47 -0.89 114.58 118.39 2o5l h GLU 41 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2o5l h GLU 41 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2o5l h GLU 41 CO -0.06 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.42 2o5l n LYS 42 N -2.50 0.07 -3.83 2.33 4.76 -0.66 -4.53 118.16 113.80 2o5l n LYS 42 Ca 0.00 0.15 -0.35 0.00 -2.87 0.00 0.00 58.31 55.24 2o5l n LYS 42 Cb 0.17 -1.60 -0.12 0.00 -1.84 0.00 0.00 35.03 31.64 2o5l n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2o5l s PHE 43 N -3.05 3.56 0.39 2.13 0.40 -0.34 -4.96 117.98 116.11 2o5l s PHE 43 Ca 0.11 -2.40 0.11 0.00 -0.60 0.00 0.00 56.93 54.15 2o5l s PHE 43 Cb 0.14 -2.99 0.90 0.00 0.51 0.00 0.00 43.02 41.59 2o5l s PHE 43 CO 0.47 -0.94 1.92 -0.44 0.70 0.00 0.00 175.22 176.93 2o5l h ASP 44 N 7.98 0.53 0.79 1.36 3.32 -1.82 -1.44 116.42 127.15 2o5l h ASP 44 Ca -0.13 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2o5l h ASP 44 Cb 1.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2o5l h ASP 44 CO 0.64 0.30 0.00 2.29 -1.72 0.00 0.00 179.24 180.76 2o5l n LYS 45 N -4.50 0.03 0.00 3.56 2.85 -1.26 -3.61 118.16 115.23 2o5l n LYS 45 Ca 0.14 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2o5l n LYS 45 Cb 0.41 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 2o5l n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2o5l n PHE 46 N -1.48 0.00 0.47 5.58 3.72 -0.64 -4.71 117.46 120.40 2o5l n PHE 46 Ca 0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.54 2o5l n PHE 46 Cb 0.27 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.16 2o5l n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2o5l n LYS 47 N -0.30 0.05 0.23 -1.08 2.85 -0.64 -1.19 118.16 118.07 2o5l n LYS 47 Ca 0.00 0.29 0.13 0.00 -1.05 0.00 0.00 58.31 57.68 2o5l n LYS 47 Cb 0.00 -1.59 0.31 0.00 -0.65 0.00 0.00 35.03 33.11 2o5l n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2o5l h HIS 48 N 0.00 0.00 -1.87 5.58 2.07 -1.84 -3.43 115.15 115.66 2o5l h HIS 48 Ca 0.00 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.04 2o5l h HIS 48 Cb 0.28 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.22 2o5l h HIS 48 CO 0.00 0.04 1.30 -0.51 -3.07 0.00 0.00 177.93 175.69 2o5l s LEU 49 N -6.24 3.28 0.20 6.12 1.43 -0.33 -4.80 118.68 118.33 2o5l s LEU 49 Ca 0.05 0.24 0.16 0.00 -1.03 0.00 0.00 54.13 53.56 2o5l s LEU 49 Cb 0.06 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 2o5l s LEU 49 CO 0.64 -2.41 1.19 0.11 0.23 0.00 0.00 176.35 176.11 2o5l h LYS 50 N 14.61 0.00 -5.01 1.70 1.79 -1.87 -3.48 116.57 124.31 2o5l h LYS 50 Ca -0.23 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.92 2o5l h LYS 50 Cb 1.15 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.65 2o5l h LYS 50 CO 1.22 0.37 -0.70 0.95 -1.08 0.00 0.00 179.45 180.21 2o5l s THR 51 N -2.98 1.08 0.43 -0.16 -4.23 -1.26 -5.04 115.64 103.48 2o5l s THR 51 Ca 0.01 -2.04 0.12 0.00 -1.18 0.00 0.00 61.69 58.60 2o5l s THR 51 Cb 0.08 -1.91 0.19 0.00 1.34 0.00 0.00 72.50 72.20 2o5l s THR 51 CO 0.77 -0.69 1.99 -0.08 -0.54 0.00 0.00 174.62 176.06 2o5l h GLU 52 N 2.76 0.12 -0.09 3.99 4.81 -1.99 -1.72 114.58 122.45 2o5l h GLU 52 Ca -0.37 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2o5l h GLU 52 Cb 1.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2o5l h GLU 52 CO 0.64 0.24 0.04 0.00 -0.73 0.00 0.00 179.01 179.20 2o5l h ALA 53 N 1.77 0.11 -0.89 2.92 0.00 -1.98 0.17 119.26 121.36 2o5l h ALA 53 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2o5l h ALA 53 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2o5l h ALA 53 CO 0.02 -0.41 0.56 0.93 0.00 0.00 0.00 179.25 180.34 2o5l h GLU 54 N 0.10 1.20 0.36 0.00 5.08 -1.90 -1.14 114.58 118.27 2o5l h GLU 54 Ca 0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2o5l h GLU 54 Cb 0.01 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.00 2o5l h GLU 54 CO -0.03 0.82 -0.17 0.52 -1.00 0.00 0.00 179.01 179.15 2o5l h MET 55 N 1.22 -0.46 -0.59 2.33 2.86 -0.93 -2.36 114.93 117.00 2o5l h MET 55 Ca 0.32 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 58.12 2o5l h MET 55 Cb -0.09 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2o5l h MET 55 CO -0.06 -0.30 0.41 -0.22 1.06 0.00 0.00 176.91 177.79 2o5l h LYS 56 N -0.50 0.28 -0.02 1.72 1.63 -0.41 -1.71 116.57 117.56 2o5l h LYS 56 Ca -0.05 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2o5l h LYS 56 Cb 0.38 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2o5l h LYS 56 CO 0.08 0.18 -0.02 0.00 -3.45 0.00 0.00 179.45 176.24 2o5l n ALA 57 N -2.55 2.60 -2.60 5.00 0.00 -0.45 -4.86 120.51 117.65 2o5l n ALA 57 Ca 0.10 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2o5l n ALA 57 Cb 0.46 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 2o5l n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2o5l s SER 58 N -2.04 6.63 0.29 0.00 0.15 -0.65 -4.89 113.70 113.20 2o5l s SER 58 Ca 0.35 0.49 0.14 0.00 0.70 0.00 0.00 55.95 57.63 2o5l s SER 58 Cb 0.21 -2.44 0.36 0.00 -1.71 0.00 0.00 66.02 62.44 2o5l s SER 58 CO 0.34 -0.82 1.59 -0.33 1.20 0.00 0.00 173.24 175.22 2o5l h GLU 59 N 8.50 0.00 -0.04 5.44 4.39 -1.89 -2.83 114.58 128.15 2o5l h GLU 59 Ca -0.24 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 2o5l h GLU 59 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2o5l h GLU 59 CO 0.96 0.56 -0.57 0.22 -1.16 0.00 0.00 179.01 179.02 2o5l h ASP 60 N 0.00 0.14 -0.32 1.42 3.58 -1.96 -0.67 116.42 118.61 2o5l h ASP 60 Ca -0.01 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2o5l h ASP 60 Cb 1.15 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 2o5l h ASP 60 CO 0.07 0.68 -0.06 0.25 -2.88 0.00 0.00 179.24 177.30 2o5l h LEU 61 N 0.10 0.62 -0.64 2.28 6.46 -1.84 -0.53 115.31 121.74 2o5l h LEU 61 Ca -0.00 -0.35 -0.04 0.00 -0.12 0.00 0.00 57.88 57.36 2o5l h LEU 61 Cb 1.04 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.77 2o5l h LEU 61 CO 0.08 0.83 0.23 0.50 -0.62 0.00 0.00 178.44 179.46 2o5l h LYS 62 N 0.40 0.97 -0.09 1.25 3.64 -1.35 -0.49 116.57 120.90 2o5l h LYS 62 Ca 0.08 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2o5l h LYS 62 Cb 0.55 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2o5l h LYS 62 CO 0.03 0.83 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.73 2o5l h LYS 63 N 0.91 -0.12 -0.97 1.90 3.64 -0.96 -1.10 116.57 119.87 2o5l h LYS 63 Ca 0.21 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2o5l h LYS 63 Cb 0.24 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2o5l h LYS 63 CO -0.01 -0.08 0.64 1.25 -2.27 0.00 0.00 179.45 178.98 2o5l h HIS 64 N -0.12 1.20 -0.45 1.91 2.76 -0.84 -1.67 115.15 117.94 2o5l h HIS 64 Ca 0.07 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.35 2o5l h HIS 64 Cb 0.22 -0.40 -0.07 0.00 1.55 0.00 0.00 27.41 28.71 2o5l h HIS 64 CO -0.20 0.71 0.04 0.78 -1.30 0.00 0.00 177.93 177.96 2o5l h GLY 65 N 1.26 0.49 0.59 5.26 0.00 -0.44 0.21 103.07 110.45 2o5l h GLY 65 Ca 0.38 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.78 2o5l h GLY 65 CO -0.11 -0.09 0.10 -0.84 0.00 0.00 0.00 176.54 175.59 2o5l h THR 66 N 0.16 0.84 -0.29 4.70 2.02 -0.59 -0.92 112.91 118.83 2o5l h THR 66 Ca 0.23 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2o5l h THR 66 Cb 0.32 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2o5l h THR 66 CO -0.34 0.04 0.09 0.58 0.37 0.00 0.00 175.52 176.26 2o5l h VAL 67 N 0.23 0.91 0.06 3.16 2.07 -0.60 -0.95 116.25 121.13 2o5l h VAL 67 Ca 0.18 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2o5l h VAL 67 Cb 0.19 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2o5l h VAL 67 CO -0.21 0.04 -0.03 0.58 0.02 0.00 0.00 177.57 177.97 2o5l h VAL 68 N 0.21 1.00 0.00 2.57 2.07 -0.66 -1.85 116.25 119.59 2o5l h VAL 68 Ca 0.13 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 2o5l h VAL 68 Cb 0.11 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2o5l h VAL 68 CO -0.14 0.05 -0.71 -0.07 0.02 0.00 0.00 177.57 176.71 2o5l h LEU 69 N -0.16 0.00 -0.72 2.57 3.38 -1.13 -1.66 115.31 117.58 2o5l h LEU 69 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2o5l h LEU 69 Cb 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2o5l h LEU 69 CO 0.01 0.71 0.34 0.74 0.09 0.00 0.00 178.44 180.34 2o5l h THR 70 N 0.00 1.24 -0.32 0.22 2.02 -1.09 0.90 112.91 115.88 2o5l h THR 70 Ca -0.01 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 2o5l h THR 70 Cb 1.27 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2o5l h THR 70 CO 0.09 0.28 -0.07 0.00 0.37 0.00 0.00 175.52 176.20 2o5l h ALA 71 N 1.17 0.44 -0.55 6.16 0.00 -0.96 -1.40 119.26 124.12 2o5l h ALA 71 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2o5l h ALA 71 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2o5l h ALA 71 CO -0.03 0.27 0.32 1.25 0.00 0.00 0.00 179.25 181.06 2o5l h LEU 72 N 0.40 0.67 -0.70 0.00 5.85 -1.18 -2.00 115.31 118.35 2o5l h LEU 72 Ca 0.08 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2o5l h LEU 72 Cb 0.56 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2o5l h LEU 72 CO 0.03 0.54 0.46 1.23 -0.34 0.00 0.00 178.44 180.36 2o5l h GLY 73 N 0.74 0.99 0.81 3.75 0.00 -0.68 0.17 103.07 108.85 2o5l h GLY 73 Ca 0.20 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.18 2o5l h GLY 73 CO -0.03 0.37 0.12 -1.33 0.00 0.00 0.00 176.54 175.67 2o5l h GLY 74 N 0.95 0.38 0.74 4.60 0.00 -1.01 -1.36 103.07 107.36 2o5l h GLY 74 Ca 0.26 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.52 2o5l h GLY 74 CO -0.05 0.06 -0.10 -2.22 0.00 0.00 0.00 176.54 174.22 2o5l h ILE 75 N 0.27 0.74 -0.77 2.60 2.04 -0.94 -2.99 117.51 118.46 2o5l h ILE 75 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 2o5l h ILE 75 Cb 0.07 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2o5l h ILE 75 CO -0.11 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.48 2o5l h LEU 76 N -0.17 0.82 -0.54 1.44 3.38 -0.39 -1.24 115.31 118.61 2o5l h LEU 76 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2o5l h LEU 76 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2o5l h LEU 76 CO -0.11 0.57 0.00 0.29 0.09 0.00 0.00 178.44 179.29 2o5l n LYS 77 N -4.45 0.12 0.00 1.13 5.02 -0.54 -1.19 118.16 118.26 2o5l n LYS 77 Ca 0.10 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.92 2o5l n LYS 77 Cb 0.10 -1.76 0.58 0.00 -0.02 0.00 0.00 35.03 33.94 2o5l n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o5l n LYS 78 N -1.99 0.01 -3.85 1.97 4.76 -0.47 -4.95 118.16 113.64 2o5l n LYS 78 Ca 0.02 0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.22 2o5l n LYS 78 Cb 0.18 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2o5l n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o5l n LYS 79 N -1.52 -3.60 0.00 1.97 5.02 -0.34 -1.32 118.16 118.37 2o5l n LYS 79 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 2o5l n LYS 79 Cb 0.34 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 2o5l n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o5l n GLY 80 N -1.83 2.70 2.58 0.72 0.00 -1.26 -4.94 105.19 103.16 2o5l n GLY 80 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2o5l n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o5l n HIS 81 N -2.00 2.66 -1.09 1.61 8.25 -0.44 -4.63 115.22 119.58 2o5l n HIS 81 Ca 0.00 -2.80 0.08 0.00 -0.26 0.00 0.00 57.72 54.74 2o5l n HIS 81 Cb 0.00 -1.82 0.12 0.00 1.12 0.00 0.00 29.99 29.41 2o5l n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2o5l n HIS 82 N 2.08 0.00 -0.18 4.41 1.44 -1.26 -4.80 115.22 116.91 2o5l n HIS 82 Ca 0.56 -0.86 -0.02 0.00 -2.01 0.00 0.00 57.72 55.39 2o5l n HIS 82 Cb 0.27 -0.13 0.05 0.00 0.12 0.00 0.00 29.99 30.30 2o5l n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2o5l h GLU 83 N 0.00 0.02 -0.44 -1.40 4.57 -1.99 0.19 114.58 115.53 2o5l h GLU 83 Ca 0.00 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2o5l h GLU 83 Cb 1.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 2o5l h GLU 83 CO 0.00 0.02 0.04 0.00 -1.18 0.00 0.00 179.01 177.89 2o5l h ALA 84 N 1.54 1.24 0.10 2.92 0.00 -2.00 -0.64 119.26 122.41 2o5l h ALA 84 Ca 0.27 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2o5l h ALA 84 Cb 0.41 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2o5l h ALA 84 CO -0.54 0.51 -1.00 0.93 0.00 0.00 0.00 179.25 179.15 2o5l h GLU 85 N 0.67 0.51 0.08 0.00 3.07 -1.72 -3.36 114.58 113.82 2o5l h GLU 85 Ca 0.14 -0.67 -0.27 0.00 -0.50 0.00 0.00 59.36 58.05 2o5l h GLU 85 Cb 0.35 0.22 0.02 0.00 -0.84 0.00 0.00 28.75 28.50 2o5l h GLU 85 CO 0.01 1.29 -1.15 1.25 -1.40 0.00 0.00 179.01 179.00 2o5l h LEU 86 N 0.05 0.74 -0.26 1.33 6.46 -0.50 -3.36 115.31 119.76 2o5l h LEU 86 Ca -0.15 -0.66 0.06 0.00 -0.12 0.00 0.00 57.88 57.01 2o5l h LEU 86 Cb 1.71 -0.23 -0.08 0.00 -0.73 0.00 0.00 40.66 41.33 2o5l h LEU 86 CO 0.19 1.47 -0.37 0.50 -0.62 0.00 0.00 178.44 179.62 2o5l h LYS 87 N 0.25 -0.35 -0.63 1.25 3.64 -1.26 0.65 116.57 120.12 2o5l h LYS 87 Ca -0.15 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2o5l h LYS 87 Cb 1.82 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.69 2o5l h LYS 87 CO 0.21 -0.23 0.39 -1.00 -2.27 0.00 0.00 179.45 176.55 2o5l h PRO 88 N -0.36 0.84 -0.01 1.90 0.13 -1.75 -0.12 132.00 132.63 2o5l h PRO 88 Ca 0.12 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2o5l h PRO 88 Cb 0.57 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 2o5l h PRO 88 CO -0.46 0.58 0.00 -0.07 -0.23 0.00 0.00 178.00 177.82 2o5l h LEU 89 N 0.86 0.01 -0.57 1.56 3.38 -1.52 0.48 115.31 119.51 2o5l h LEU 89 Ca 0.23 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.07 2o5l h LEU 89 Cb -0.06 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 2o5l h LEU 89 CO -0.05 0.26 -0.08 0.00 0.09 0.00 0.00 178.44 178.66 2o5l h ALA 90 N 0.76 0.45 -0.32 1.53 0.00 -0.56 -0.87 119.26 120.24 2o5l h ALA 90 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2o5l h ALA 90 Cb 0.25 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2o5l h ALA 90 CO 0.00 -0.42 -0.08 1.96 0.00 0.00 0.00 179.25 180.71 2o5l h GLN 91 N 0.04 0.63 -0.34 0.00 4.20 -0.79 -1.31 115.11 117.55 2o5l h GLN 91 Ca 0.28 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 2o5l h GLN 91 Cb 0.44 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2o5l h GLN 91 CO -0.55 0.81 -0.22 0.66 -0.67 0.00 0.00 178.83 178.86 2o5l h SER 92 N 0.41 0.66 0.44 1.46 4.64 -0.76 -0.17 113.55 120.23 2o5l h SER 92 Ca 0.08 -0.23 -0.19 0.00 -0.47 0.00 0.00 61.79 60.98 2o5l h SER 92 Cb 0.58 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2o5l h SER 92 CO 0.03 0.87 -0.81 0.45 -0.87 0.00 0.00 176.83 176.50 2o5l h HIS 93 N 0.57 0.40 0.07 4.77 3.86 -0.98 0.61 115.15 124.46 2o5l h HIS 93 Ca 0.08 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2o5l h HIS 93 Cb 0.69 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2o5l h HIS 93 CO 0.03 0.98 -0.03 0.00 0.86 0.00 0.00 177.93 179.77 2o5l h ALA 94 N 0.96 -0.09 0.19 2.45 0.00 -1.24 0.43 119.26 121.96 2o5l h ALA 94 Ca -0.04 -0.29 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 2o5l h ALA 94 Cb 1.41 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2o5l h ALA 94 CO 0.13 -0.15 -1.75 1.15 0.00 0.00 0.00 179.25 178.63 2o5l h THR 95 N -0.89 0.94 0.00 0.00 2.02 -1.05 -3.15 112.91 110.77 2o5l h THR 95 Ca -0.01 -2.51 -0.13 0.00 0.77 0.00 0.00 66.41 64.52 2o5l h THR 95 Cb 0.61 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.77 2o5l h THR 95 CO 0.01 0.86 -1.10 1.17 0.37 0.00 0.00 175.52 176.83 2o5l n LYS 96 N -3.60 0.52 0.18 6.66 4.81 -0.27 -4.60 118.16 121.86 2o5l n LYS 96 Ca -0.25 0.45 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 2o5l n LYS 96 Cb 1.08 -1.63 0.11 0.00 0.02 0.00 0.00 35.03 34.60 2o5l n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2o5l h HIS 97 N -1.00 0.00 -5.90 5.64 3.86 -1.06 -3.48 115.15 113.20 2o5l h HIS 97 Ca -0.20 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.64 2o5l h HIS 97 Cb 0.98 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.56 2o5l h HIS 97 CO -0.15 0.06 -0.84 1.63 0.86 0.00 0.00 177.93 179.49 2o5l n LYS 98 N -3.00 -4.33 -3.21 2.45 4.76 -0.07 -4.97 118.16 109.80 2o5l n LYS 98 Ca 0.02 0.69 -0.44 0.00 -2.87 0.00 0.00 58.31 55.72 2o5l n LYS 98 Cb 0.56 -5.30 -0.07 0.00 -1.84 0.00 0.00 35.03 28.38 2o5l n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2o5l s ILE 99 N -3.53 4.95 0.65 -0.18 -1.09 0.13 -5.00 121.20 117.13 2o5l s ILE 99 Ca 0.14 -0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 57.92 2o5l s ILE 99 Cb -0.03 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 2o5l s ILE 99 CO 0.79 -0.69 1.26 -2.16 -1.23 0.00 0.00 174.94 172.91 2o5l s PRO 100 N 2.45 2.53 0.47 2.79 0.04 -1.26 -4.70 135.00 137.33 2o5l s PRO 100 Ca 0.14 1.97 0.17 0.00 0.04 0.00 0.00 61.00 63.33 2o5l s PRO 100 Cb -0.19 -1.86 1.16 0.00 0.04 0.00 0.00 34.50 33.65 2o5l s PRO 100 CO 0.12 -1.59 2.00 0.97 0.04 0.00 0.00 177.00 178.55 2o5l h ILE 101 N 0.44 0.86 -0.97 0.56 6.09 -1.97 0.63 117.51 123.15 2o5l h ILE 101 Ca -0.50 -0.09 0.24 0.00 -1.37 0.00 0.00 64.86 63.14 2o5l h ILE 101 Cb 1.32 0.58 -0.12 0.00 0.47 0.00 0.00 36.82 39.07 2o5l h ILE 101 CO 0.53 0.05 0.54 0.50 -3.07 0.00 0.00 178.15 176.69 2o5l h LYS 102 N 0.25 0.52 -0.06 2.19 1.63 -2.00 -0.39 116.57 118.72 2o5l h LYS 102 Ca 0.25 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 2o5l h LYS 102 Cb 0.63 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2o5l h LYS 102 CO -0.05 0.34 -0.39 1.88 -3.45 0.00 0.00 179.45 177.78 2o5l h TYR 103 N 0.53 0.13 -0.21 1.91 -1.99 -1.21 -0.27 116.97 115.88 2o5l h TYR 103 Ca 0.62 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 61.19 2o5l h TYR 103 Cb 1.18 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.86 2o5l h TYR 103 CO -0.04 0.50 -0.43 -0.07 -0.00 0.00 0.00 178.16 178.12 2o5l h LEU 104 N 0.10 0.53 -0.07 3.88 3.38 -1.13 -1.56 115.31 120.45 2o5l h LEU 104 Ca 0.01 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2o5l h LEU 104 Cb 0.74 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2o5l h LEU 104 CO 0.06 0.89 -0.05 -0.08 0.09 0.00 0.00 178.44 179.35 2o5l h GLU 105 N 0.41 -0.06 -0.41 1.13 4.81 -0.78 -1.54 114.58 118.15 2o5l h GLU 105 Ca 0.03 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2o5l h GLU 105 Cb 0.92 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.23 2o5l h GLU 105 CO 0.08 -0.04 -0.10 0.74 -0.73 0.00 0.00 179.01 178.96 2o5l h PHE 106 N -0.06 -0.22 0.00 0.92 0.04 -0.84 -1.81 116.94 114.97 2o5l h PHE 106 Ca 0.05 0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 2o5l h PHE 106 Cb 0.12 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2o5l h PHE 106 CO -0.15 -0.17 -0.59 0.97 -0.60 0.00 0.00 178.31 177.76 2o5l h ILE 107 N -0.00 1.35 -0.12 -0.55 2.10 -1.20 -0.63 117.51 118.46 2o5l h ILE 107 Ca 0.19 -2.07 0.02 0.00 1.08 0.00 0.00 64.86 64.09 2o5l h ILE 107 Cb 0.30 2.14 -0.02 0.00 -1.09 0.00 0.00 36.82 38.14 2o5l h ILE 107 CO -0.42 0.58 -0.03 0.28 -1.08 0.00 0.00 178.15 177.48 2o5l h SER 108 N 0.00 -0.11 -0.62 2.19 0.02 -0.83 -0.76 113.55 113.44 2o5l h SER 108 Ca -0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2o5l h SER 108 Cb 1.09 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2o5l h SER 108 CO 0.08 -0.04 0.40 0.44 -1.14 0.00 0.00 176.83 176.57 2o5l h ASP 109 N 0.00 0.72 -0.79 3.07 3.32 -1.07 -2.22 116.42 119.44 2o5l h ASP 109 Ca 0.06 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2o5l h ASP 109 Cb 0.09 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 2o5l h ASP 109 CO -0.13 0.53 0.47 0.00 -1.72 0.00 0.00 179.24 178.39 2o5l h ALA 110 N 1.22 1.08 -0.39 3.45 0.00 -0.80 -0.97 119.26 122.84 2o5l h ALA 110 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2o5l h ALA 110 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2o5l h ALA 110 CO -0.05 0.18 0.15 0.82 0.00 0.00 0.00 179.25 180.35 2o5l h ILE 111 N 0.85 1.20 -0.42 0.00 2.04 -0.71 0.02 117.51 120.50 2o5l h ILE 111 Ca 0.35 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.59 2o5l h ILE 111 Cb 0.19 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2o5l h ILE 111 CO -0.18 0.22 0.27 0.40 0.00 0.00 0.00 178.15 178.86 2o5l h ILE 112 N 0.49 1.09 -0.00 -0.67 1.08 -1.07 -0.60 117.51 117.83 2o5l h ILE 112 Ca 0.13 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2o5l h ILE 112 Cb 0.20 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2o5l h ILE 112 CO -0.01 0.10 -0.04 -0.74 -0.69 0.00 0.00 178.15 176.77 2o5l h HIS 113 N 0.55 -0.09 -0.99 1.37 -0.00 -1.00 -2.55 115.15 112.44 2o5l h HIS 113 Ca 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 2o5l h HIS 113 Cb -0.04 0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 2o5l h HIS 113 CO -0.05 -0.06 0.65 0.28 -0.00 0.00 0.00 177.93 178.74 2o5l h VAL 114 N -0.07 1.17 -0.31 5.26 2.07 -0.74 0.67 116.25 124.31 2o5l h VAL 114 Ca 0.02 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2o5l h VAL 114 Cb 0.09 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 2o5l h VAL 114 CO -0.04 0.23 0.17 -0.07 0.02 0.00 0.00 177.57 177.87 2o5l h LEU 115 N 1.25 0.39 -0.67 2.57 3.38 -0.92 0.64 115.31 121.95 2o5l h LEU 115 Ca 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2o5l h LEU 115 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2o5l h LEU 115 CO -0.12 0.37 0.36 0.45 0.09 0.00 0.00 178.44 179.58 2o5l h HIS 116 N 0.38 0.93 -0.57 1.13 3.86 -1.05 -1.10 115.15 118.73 2o5l h HIS 116 Ca 0.11 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 2o5l h HIS 116 Cb 0.07 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2o5l h HIS 116 CO -0.03 0.67 0.03 1.03 0.86 0.00 0.00 177.93 180.49 2o5l h SER 117 N 0.92 0.96 1.32 2.45 0.87 -0.47 -1.36 113.55 118.23 2o5l h SER 117 Ca 0.23 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2o5l h SER 117 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2o5l h SER 117 CO -0.04 1.01 -0.70 0.11 -0.53 0.00 0.00 176.83 176.68 2o5l h LYS 118 N 0.87 0.00 -1.63 2.24 1.57 -0.87 -3.38 116.57 115.36 2o5l h LYS 118 Ca 0.17 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.46 2o5l h LYS 118 Cb 0.50 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.40 2o5l h LYS 118 CO 0.02 0.16 -0.98 0.72 -0.57 0.00 0.00 179.45 178.80 2o5l n HIS 119 N -2.95 1.98 -1.77 -1.35 8.25 -0.42 -5.09 115.22 113.87 2o5l n HIS 119 Ca -0.00 -3.37 -0.42 0.00 -0.26 0.00 0.00 57.72 53.66 2o5l n HIS 119 Cb 0.64 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 2o5l n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o5l s PRO 120 N -3.10 4.15 0.00 -0.41 0.04 -0.53 -0.83 135.00 134.32 2o5l s PRO 120 Ca 0.40 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2o5l s PRO 120 Cb 0.38 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2o5l s PRO 120 CO -0.08 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2o5l n GLY 121 N 4.09 0.89 0.11 0.56 0.00 -1.26 -4.83 105.19 104.75 2o5l n GLY 121 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2o5l n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o5l n ASP 122 N -0.00 1.97 -3.62 1.61 2.03 -0.01 -4.83 116.55 113.70 2o5l n ASP 122 Ca 0.00 -2.79 -0.29 0.00 0.52 0.00 0.00 54.79 52.23 2o5l n ASP 122 Cb 0.00 -0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 39.93 2o5l n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2o5l s PHE 123 N -2.25 1.66 0.92 -0.67 5.36 -1.20 -5.01 117.98 116.79 2o5l s PHE 123 Ca 0.24 -2.28 -0.11 0.00 -0.96 0.00 0.00 56.93 53.81 2o5l s PHE 123 Cb 0.21 -1.58 0.14 0.00 -0.34 0.00 0.00 43.02 41.45 2o5l s PHE 123 CO 0.02 -0.78 1.09 0.20 -1.46 0.00 0.00 175.22 174.29 2o5l s GLY 124 N 0.37 1.62 0.20 13.12 0.00 -1.26 -4.69 107.32 116.68 2o5l s GLY 124 Ca 0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.80 2o5l s GLY 124 CO -0.03 0.48 1.72 0.00 0.00 0.00 0.00 173.10 175.27 2o5l h ALA 125 N -1.65 0.69 -0.55 3.20 0.00 -2.00 0.45 119.26 119.41 2o5l h ALA 125 Ca -0.50 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2o5l h ALA 125 Cb 1.29 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2o5l h ALA 125 CO 0.53 -0.27 0.29 0.38 0.00 0.00 0.00 179.25 180.18 2o5l h ASP 126 N 0.30 0.70 -0.36 0.00 2.03 -1.99 -1.41 116.42 115.68 2o5l h ASP 126 Ca 0.29 -0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.49 2o5l h ASP 126 Cb 0.40 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2o5l h ASP 126 CO -0.35 0.60 0.20 0.00 -1.03 0.00 0.00 179.24 178.66 2o5l h ALA 127 N 1.13 0.47 -0.24 4.15 0.00 -1.72 -1.23 119.26 121.81 2o5l h ALA 127 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2o5l h ALA 127 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2o5l h ALA 127 CO -0.03 -0.01 0.08 0.37 0.00 0.00 0.00 179.25 179.66 2o5l h GLN 128 N 0.46 0.18 -0.50 0.00 4.15 -0.77 0.36 115.11 118.99 2o5l h GLN 128 Ca 0.13 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.62 2o5l h GLN 128 Cb 0.05 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.63 2o5l h GLN 128 CO -0.02 0.12 0.12 0.78 -1.93 0.00 0.00 178.83 177.90 2o5l h GLY 129 N 0.19 0.63 0.52 2.39 0.00 -1.02 0.70 103.07 106.48 2o5l h GLY 129 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2o5l h GLY 129 CO -0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 176.54 176.35 2o5l h ALA 130 N 1.38 0.03 -0.81 3.60 0.00 -1.01 -1.35 119.26 121.10 2o5l h ALA 130 Ca 0.25 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2o5l h ALA 130 Cb 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2o5l h ALA 130 CO -0.31 -0.19 0.48 1.98 0.00 0.00 0.00 179.25 181.21 2o5l h MET 131 N -0.45 0.82 -0.02 0.00 -1.53 -0.86 -1.32 114.93 111.57 2o5l h MET 131 Ca 0.00 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2o5l h MET 131 Cb 0.55 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.42 2o5l h MET 131 CO 0.01 0.54 0.01 1.15 0.14 0.00 0.00 176.91 178.76 2o5l h THR 132 N 0.84 1.00 -0.75 -0.77 2.02 -0.74 -0.10 112.91 114.41 2o5l h THR 132 Ca 0.37 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.69 2o5l h THR 132 Cb 0.26 0.98 -0.10 0.00 -1.74 0.00 0.00 68.15 67.56 2o5l h THR 132 CO -0.21 0.00 0.29 0.11 0.37 0.00 0.00 175.52 176.08 2o5l h LYS 133 N 0.02 0.41 -0.32 6.66 1.57 -0.94 -0.13 116.57 123.84 2o5l h LYS 133 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2o5l h LYS 133 Cb -0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2o5l h LYS 133 CO -0.00 0.27 0.07 0.00 -0.57 0.00 0.00 179.45 179.22 2o5l h ALA 134 N 1.55 0.43 -0.56 3.86 0.00 -0.67 -0.18 119.26 123.68 2o5l h ALA 134 Ca 0.41 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2o5l h ALA 134 Cb 0.64 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2o5l h ALA 134 CO -0.41 0.10 0.14 -0.07 0.00 0.00 0.00 179.25 179.01 2o5l h LEU 135 N 0.36 0.81 -0.43 0.00 3.38 -0.71 -1.69 115.31 117.04 2o5l h LEU 135 Ca 0.10 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 2o5l h LEU 135 Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2o5l h LEU 135 CO 0.00 0.79 -0.47 -0.33 0.09 0.00 0.00 178.44 178.53 2o5l h GLU 136 N 0.84 0.80 -0.10 1.13 5.08 -0.81 -1.13 114.58 120.38 2o5l h GLU 136 Ca 0.18 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2o5l h GLU 136 Cb 0.30 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2o5l h GLU 136 CO -0.00 1.09 -0.04 1.25 -1.00 0.00 0.00 179.01 180.31 2o5l h LEU 137 N 0.64 -0.13 -0.09 1.33 5.85 -0.80 0.43 115.31 122.53 2o5l h LEU 137 Ca 0.03 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2o5l h LEU 137 Cb 1.05 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 2o5l h LEU 137 CO 0.10 -0.05 -0.39 0.15 -0.34 0.00 0.00 178.44 177.91 2o5l h PHE 138 N -0.03 -1.11 -0.76 1.25 3.57 -1.25 0.45 116.94 119.06 2o5l h PHE 138 Ca 0.05 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2o5l h PHE 138 Cb 0.10 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2o5l h PHE 138 CO -0.16 -0.46 0.50 -0.09 -2.23 0.00 0.00 178.31 175.87 2o5l h ARG 139 N -0.49 0.98 -0.49 1.11 2.43 -0.94 -1.42 114.38 115.57 2o5l h ARG 139 Ca 0.07 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2o5l h ARG 139 Cb 0.61 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2o5l h ARG 139 CO -0.36 0.65 -0.16 -0.97 -1.51 0.00 0.00 179.97 177.62 2o5l h ASN 140 N 1.01 0.95 -0.07 -3.80 -1.24 0.21 0.76 115.58 113.39 2o5l h ASN 140 Ca 0.28 -0.33 -0.13 0.00 0.71 0.00 0.00 56.30 56.84 2o5l h ASN 140 Cb -0.09 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.69 2o5l h ASN 140 CO -0.07 1.09 -0.38 0.44 -1.29 0.00 0.00 177.43 177.22 2o5l h ASP 141 N 0.83 0.61 -0.38 1.15 3.32 -0.58 -1.53 116.42 119.83 2o5l h ASP 141 Ca 0.12 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2o5l h ASP 141 Cb 0.70 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2o5l h ASP 141 CO 0.05 0.93 0.14 0.40 -1.72 0.00 0.00 179.24 179.05 2o5l h ILE 142 N 0.48 1.20 -0.78 0.35 2.04 -1.02 -2.89 117.51 116.88 2o5l h ILE 142 Ca 0.05 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.31 2o5l h ILE 142 Cb 0.88 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2o5l h ILE 142 CO 0.08 0.22 0.52 0.00 0.00 0.00 0.00 178.15 178.96 2o5l h ALA 143 N 0.99 1.48 -0.57 1.87 0.00 -0.50 0.16 119.26 122.68 2o5l h ALA 143 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2o5l h ALA 143 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2o5l h ALA 143 CO -0.01 0.47 0.37 0.00 0.00 0.00 0.00 179.25 180.07 2o5l h ALA 144 N 1.53 0.73 -0.29 0.00 0.00 -1.14 -0.44 119.26 119.65 2o5l h ALA 144 Ca 0.30 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2o5l h ALA 144 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2o5l h ALA 144 CO -0.07 0.13 -0.15 0.87 0.00 0.00 0.00 179.25 180.03 2o5l h LYS 145 N 0.74 0.50 -0.69 0.00 1.79 -0.83 -1.64 116.57 116.44 2o5l h LYS 145 Ca 0.22 -0.15 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 2o5l h LYS 145 Cb -0.04 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 2o5l h LYS 145 CO -0.07 0.63 0.15 1.88 -1.08 0.00 0.00 179.45 180.96 2o5l h TYR 146 N 0.46 1.18 -0.43 -1.35 -1.99 -0.23 -2.12 116.97 112.49 2o5l h TYR 146 Ca 0.08 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.60 2o5l h TYR 146 Cb 0.52 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 2o5l h TYR 146 CO 0.02 0.97 0.02 -0.22 -0.00 0.00 0.00 178.16 178.95 2o5l h LYS 147 N 1.05 0.75 -0.66 4.88 3.64 -0.62 0.54 116.57 126.15 2o5l h LYS 147 Ca 0.21 -0.23 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 2o5l h LYS 147 Cb 0.40 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 2o5l h LYS 147 CO 0.01 0.81 0.08 1.49 -2.27 0.00 0.00 179.45 179.57 2o5l h GLU 148 N 0.60 0.18 0.00 1.90 4.81 -1.16 -0.82 114.58 120.09 2o5l h GLU 148 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2o5l h GLU 148 Cb 0.46 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2o5l h GLU 148 CO 0.02 0.12 0.00 1.28 -0.73 0.00 0.00 179.01 179.70 2o5l n LEU 149 N -5.22 0.43 -1.09 1.64 4.77 -0.81 -4.91 117.00 111.81 2o5l n LEU 149 Ca 0.11 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.53 2o5l n LEU 149 Cb 0.39 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2o5l n LEU 149 CO 0.12 -0.11 -0.12 0.61 -1.33 0.00 0.00 177.39 176.56 2o5l n GLY 150 N 1.34 0.10 3.67 -0.72 0.00 0.02 -4.99 105.19 104.62 2o5l n GLY 150 Ca 0.06 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2o5l n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o5l s PHE 151 N -2.48 3.39 0.00 1.61 5.36 -0.27 -5.02 117.98 120.57 2o5l s PHE 151 Ca 0.00 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 56.80 2o5l s PHE 151 Cb 0.00 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2o5l s PHE 151 CO 0.00 -0.08 0.00 1.04 -1.46 0.00 0.00 175.22 174.72