#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubs h LEU 4 N 0.00 0.15 -9.64 3.22 3.38 -1.97 -3.46 115.31 106.99 1ubs h LEU 4 Ca 0.00 -0.14 -0.62 0.00 0.09 0.00 0.00 57.88 57.21 1ubs h LEU 4 Cb 0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 1ubs h LEU 4 CO 0.00 0.99 -0.61 -0.76 0.09 0.00 0.00 178.44 178.15 1ubs s LEU 5 N -7.19 2.88 -0.12 1.67 1.43 -1.26 -5.11 118.68 110.98 1ubs s LEU 5 Ca -0.01 -1.30 -0.26 0.00 -1.03 0.00 0.00 54.13 51.53 1ubs s LEU 5 Cb 0.10 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1ubs s LEU 5 CO 0.82 -0.41 0.82 0.21 0.23 0.00 0.00 176.35 178.03 1ubs s ASN 6 N -3.71 7.03 0.00 2.29 3.04 -1.26 -4.93 114.94 117.40 1ubs s ASN 6 Ca 0.35 1.26 0.27 0.00 0.04 0.00 0.00 52.86 54.78 1ubs s ASN 6 Cb 0.08 -2.46 1.37 0.00 -1.54 0.00 0.00 41.25 38.70 1ubs s ASN 6 CO 0.18 -0.31 1.93 -2.65 -3.04 0.00 0.00 177.10 173.22 1ubs n PRO 7 N 4.66 0.38 -4.38 0.43 -0.02 -1.26 -4.86 135.00 129.94 1ubs n PRO 7 Ca 0.03 0.03 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1ubs n PRO 7 Cb 0.50 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.35 1ubs n PRO 7 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ubs s TYR 8 N -2.58 2.28 -0.45 6.00 2.02 -1.26 -0.35 117.35 123.00 1ubs s TYR 8 Ca 0.25 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1ubs s TYR 8 Cb 0.18 -1.23 0.12 0.00 -0.40 0.00 0.00 41.96 40.63 1ubs s TYR 8 CO 0.42 0.33 0.19 -0.06 -1.57 0.00 0.00 175.55 174.86 1ubs s PHE 9 N -1.08 3.45 0.00 2.71 0.08 0.87 -4.97 117.98 119.04 1ubs s PHE 9 Ca 0.14 -3.03 0.00 0.00 0.12 0.00 0.00 56.93 54.15 1ubs s PHE 9 Cb -0.10 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 1ubs s PHE 9 CO 0.06 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.75 1ubs n GLY 10 N 3.67 2.87 0.90 4.36 0.00 -1.26 -1.82 105.19 113.91 1ubs n GLY 10 Ca 0.04 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1ubs n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ubs n GLU 11 N 13.29 2.10 -3.80 1.61 0.28 -1.26 -4.95 120.64 127.92 1ubs n GLU 11 Ca 0.00 -1.86 -0.33 0.00 -0.16 0.00 0.00 57.16 54.81 1ubs n GLU 11 Cb 0.00 -1.43 -0.05 0.00 1.43 0.00 0.00 31.44 31.39 1ubs n GLU 11 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1ubs s PHE 12 N -1.80 3.55 0.00 -1.84 0.08 -0.75 -4.93 117.98 112.29 1ubs s PHE 12 Ca 0.27 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.80 1ubs s PHE 12 Cb 0.19 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 1ubs s PHE 12 CO 0.28 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.40 1ubs n GLY 13 N 0.80 0.15 4.18 4.36 0.00 -0.25 -0.09 105.19 114.34 1ubs n GLY 13 Ca -0.09 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1ubs n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubs n GLY 14 N 0.00 -1.89 2.38 -0.02 0.00 0.53 -0.43 105.19 105.76 1ubs n GLY 14 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1ubs n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ubs n MET 15 N 0.00 1.62 -2.29 1.61 2.81 -1.25 -1.53 117.12 118.08 1ubs n MET 15 Ca 0.00 -3.84 -0.43 0.00 -1.81 0.00 0.00 57.70 51.62 1ubs n MET 15 Cb 0.00 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 1ubs n MET 15 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ubs n TYR 16 N 0.52 3.58 -4.32 2.03 4.02 0.05 -4.93 117.16 118.11 1ubs n TYR 16 Ca 0.26 -2.93 -0.19 0.00 -0.01 0.00 0.00 57.90 55.03 1ubs n TYR 16 Cb 0.53 -2.21 -0.10 0.00 -0.02 0.00 0.00 39.34 37.54 1ubs n TYR 16 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ubs s VAL 17 N 1.68 1.64 0.47 -0.72 -7.23 -1.26 -3.36 120.40 111.61 1ubs s VAL 17 Ca 0.43 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1ubs s VAL 17 Cb 0.08 -1.91 -0.10 0.00 0.56 0.00 0.00 36.38 35.01 1ubs s VAL 17 CO -0.01 -0.54 0.84 -2.65 -0.31 0.00 0.00 175.10 172.43 1ubs n PRO 18 N -0.11 0.99 -0.25 4.82 -0.02 -1.26 -4.83 135.00 134.35 1ubs n PRO 18 Ca -0.10 0.36 0.18 0.00 -2.02 0.00 0.00 63.50 61.93 1ubs n PRO 18 Cb 0.59 -1.90 0.49 0.00 -0.02 0.00 0.00 33.50 32.67 1ubs n PRO 18 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ubs h GLN 19 N 1.04 0.43 -0.20 -0.52 5.75 -1.99 -2.54 115.11 117.08 1ubs h GLN 19 Ca -0.44 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.09 1ubs h GLN 19 Cb 1.36 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1ubs h GLN 19 CO 0.53 0.28 0.16 0.97 -2.65 0.00 0.00 178.83 178.12 1ubs h ILE 20 N 0.44 0.79 -0.01 2.39 2.10 -1.98 -1.96 117.51 119.28 1ubs h ILE 20 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.42 1ubs h ILE 20 Cb 1.14 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 1ubs h ILE 20 CO -0.19 0.00 -0.27 0.18 -1.08 0.00 0.00 178.15 176.79 1ubs n LEU 21 N -4.31 0.85 -0.13 2.19 4.77 -0.95 -4.34 117.00 115.07 1ubs n LEU 21 Ca 0.02 -0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 1ubs n LEU 21 Cb 0.30 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ubs n LEU 21 CO 0.33 0.16 1.01 0.24 -1.33 0.00 0.00 177.39 177.81 1ubs h MET 22 N 0.92 0.55 -0.98 3.23 2.86 -1.46 -2.64 114.93 117.40 1ubs h MET 22 Ca 0.00 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1ubs h MET 22 Cb 0.48 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.94 1ubs h MET 22 CO 0.00 0.40 0.62 -1.35 1.06 0.00 0.00 176.91 177.64 1ubs h PRO 23 N 0.53 0.86 -0.60 -0.22 0.11 -1.78 -0.58 132.00 130.32 1ubs h PRO 23 Ca 0.15 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 1ubs h PRO 23 Cb -0.01 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.89 1ubs h PRO 23 CO -0.03 0.57 0.19 0.00 -0.21 0.00 0.00 178.00 178.52 1ubs h ALA 24 N 1.57 0.78 -0.36 -0.75 0.00 -1.75 -2.11 119.26 116.65 1ubs h ALA 24 Ca 0.51 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1ubs h ALA 24 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ubs h ALA 24 CO -0.28 0.45 -0.21 -0.07 0.00 0.00 0.00 179.25 179.14 1ubs h LEU 25 N 0.85 0.69 -0.50 0.00 3.38 -1.11 -2.19 115.31 116.43 1ubs h LEU 25 Ca 0.19 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1ubs h LEU 25 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ubs h LEU 25 CO -0.01 0.89 -0.55 0.78 0.09 0.00 0.00 178.44 179.65 1ubs h ASN 26 N 0.61 0.64 -0.46 -0.43 2.35 -0.91 -1.06 115.58 116.33 1ubs h ASN 26 Ca 0.09 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 1ubs h ASN 26 Cb 0.68 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1ubs h ASN 26 CO 0.05 1.06 0.16 -0.61 -1.65 0.00 0.00 177.43 176.44 1ubs h GLN 27 N 0.44 0.70 -0.45 0.81 4.15 -1.29 -2.33 115.11 117.14 1ubs h GLN 27 Ca 0.01 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 1ubs h GLN 27 Cb 1.10 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 1ubs h GLN 27 CO 0.10 0.66 0.09 1.25 -1.93 0.00 0.00 178.83 179.00 1ubs h LEU 28 N 0.60 0.69 -0.67 -2.39 5.85 -1.34 -2.32 115.31 115.73 1ubs h LEU 28 Ca 0.15 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1ubs h LEU 28 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1ubs h LEU 28 CO -0.01 0.76 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.72 1ubs h GLU 29 N 0.59 0.99 -0.14 1.25 4.81 -1.11 -0.97 114.58 120.00 1ubs h GLU 29 Ca 0.14 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1ubs h GLU 29 Cb 0.35 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ubs h GLU 29 CO 0.00 1.00 0.05 0.93 -0.73 0.00 0.00 179.01 180.27 1ubs h GLU 30 N 0.89 0.21 -0.85 1.92 5.08 -1.21 -2.18 114.58 118.45 1ubs h GLU 30 Ca 0.15 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1ubs h GLU 30 Cb 0.59 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1ubs h GLU 30 CO 0.04 0.32 0.52 0.00 -1.00 0.00 0.00 179.01 178.89 1ubs h ALA 31 N 0.88 1.18 0.02 3.43 0.00 -1.32 -1.45 119.26 122.00 1ubs h ALA 31 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ubs h ALA 31 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ubs h ALA 31 CO -0.00 0.25 -0.01 0.35 0.00 0.00 0.00 179.25 179.83 1ubs h PHE 32 N 0.94 -0.02 -0.87 0.00 3.57 -1.10 0.42 116.94 119.88 1ubs h PHE 32 Ca 0.38 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.91 1ubs h PHE 32 Cb 0.21 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 1ubs h PHE 32 CO -0.04 0.26 0.56 0.28 -2.23 0.00 0.00 178.31 177.15 1ubs h VAL 33 N -0.31 1.14 -0.02 1.41 2.07 -1.22 0.21 116.25 119.54 1ubs h VAL 33 Ca -0.00 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ubs h VAL 33 Cb 0.29 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1ubs h VAL 33 CO 0.00 0.20 -0.00 0.08 0.02 0.00 0.00 177.57 177.87 1ubs h ARG 34 N 1.09 0.03 -0.28 1.57 -0.00 -1.13 -2.83 114.38 112.84 1ubs h ARG 34 Ca 0.35 -0.01 0.06 0.00 -0.00 0.00 0.00 59.98 60.38 1ubs h ARG 34 Cb 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.90 1ubs h ARG 34 CO -0.11 0.39 -0.18 0.00 -0.00 0.00 0.00 179.97 180.06 1ubs h ALA 35 N 0.65 0.01 -0.96 0.08 0.00 0.29 -0.21 119.26 119.12 1ubs h ALA 35 Ca 0.00 0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.24 1ubs h ALA 35 Cb 0.37 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1ubs h ALA 35 CO 0.00 -0.59 0.63 1.96 0.00 0.00 0.00 179.25 181.26 1ubs h GLN 36 N -0.16 0.38 0.00 0.00 1.08 -0.98 0.95 115.11 116.39 1ubs h GLN 36 Ca 0.15 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1ubs h GLN 36 Cb 0.39 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1ubs h GLN 36 CO -0.37 0.25 -0.47 1.63 -0.95 0.00 0.00 178.83 178.92 1ubs n LYS 37 N -4.54 0.12 -2.90 1.46 5.02 -0.13 -4.83 118.16 112.37 1ubs n LYS 37 Ca 0.21 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 1ubs n LYS 37 Cb 0.77 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 1ubs n LYS 37 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ubs s ASP 38 N -3.52 6.41 0.50 4.39 2.15 0.33 -4.94 116.67 121.99 1ubs s ASP 38 Ca 0.10 -0.13 0.15 0.00 0.43 0.00 0.00 52.55 53.10 1ubs s ASP 38 Cb 0.16 -2.41 1.20 0.00 -0.30 0.00 0.00 42.92 41.56 1ubs s ASP 38 CO 0.68 -1.03 2.11 -0.65 -0.17 0.00 0.00 175.17 176.12 1ubs h PRO 39 N 9.09 0.02 0.00 4.34 0.11 -1.88 0.22 132.00 143.90 1ubs h PRO 39 Ca -0.25 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.78 1ubs h PRO 39 Cb 1.08 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ubs h PRO 39 CO 1.01 0.05 -0.37 1.05 -0.21 0.00 0.00 178.00 179.53 1ubs h GLU 40 N 0.02 0.00 0.11 1.05 4.11 -1.93 -1.09 114.58 116.85 1ubs h GLU 40 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.25 1ubs h GLU 40 Cb 0.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1ubs h GLU 40 CO 0.00 0.37 -0.80 0.35 0.07 0.00 0.00 179.01 179.01 1ubs h PHE 41 N 0.00 0.59 -0.43 2.06 3.04 -0.90 -2.77 116.94 118.54 1ubs h PHE 41 Ca -0.00 -0.40 0.06 0.00 3.98 0.00 0.00 57.97 61.61 1ubs h PHE 41 Cb 0.93 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.35 1ubs h PHE 41 CO 0.00 1.28 0.12 1.96 -2.02 0.00 0.00 178.31 179.65 1ubs h GLN 42 N -0.26 0.26 -0.72 1.11 1.08 -1.09 -0.12 115.11 115.36 1ubs h GLN 42 Ca -0.13 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1ubs h GLN 42 Cb 1.58 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.92 1ubs h GLN 42 CO 0.15 0.17 0.41 0.00 -0.95 0.00 0.00 178.83 178.61 1ubs h ALA 43 N 1.30 0.93 -0.04 3.87 0.00 -1.28 -0.89 119.26 123.15 1ubs h ALA 43 Ca 0.20 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1ubs h ALA 43 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ubs h ALA 43 CO -0.24 0.43 -0.78 1.96 0.00 0.00 0.00 179.25 180.62 1ubs h GLN 44 N 1.00 0.33 -0.30 0.00 4.20 -1.13 -2.01 115.11 117.20 1ubs h GLN 44 Ca 0.26 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1ubs h GLN 44 Cb 0.02 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ubs h GLN 44 CO -0.04 0.96 0.02 0.35 -0.67 0.00 0.00 178.83 179.45 1ubs h PHE 45 N 0.22 0.56 -0.73 2.96 3.57 -0.63 -3.01 116.94 119.87 1ubs h PHE 45 Ca -0.04 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 1ubs h PHE 45 Cb 1.37 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1ubs h PHE 45 CO 0.04 0.63 0.34 0.00 -2.23 0.00 0.00 178.31 177.09 1ubs h ALA 46 N 0.85 1.21 -0.15 2.41 0.00 -1.15 -1.59 119.26 120.85 1ubs h ALA 46 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ubs h ALA 46 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ubs h ALA 46 CO 0.01 0.59 0.08 0.22 0.00 0.00 0.00 179.25 180.15 1ubs h ASP 47 N 1.05 0.20 -0.79 0.00 3.58 -1.34 -1.14 116.42 117.98 1ubs h ASP 47 Ca 0.25 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1ubs h ASP 47 Cb 0.13 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1ubs h ASP 47 CO -0.03 0.25 0.36 -0.07 -2.88 0.00 0.00 179.24 176.87 1ubs h LEU 48 N 0.13 1.04 -0.39 2.28 3.38 -1.39 0.37 115.31 120.73 1ubs h LEU 48 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ubs h LEU 48 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ubs h LEU 48 CO -0.01 0.90 0.13 -0.07 0.09 0.00 0.00 178.44 179.49 1ubs h LEU 49 N 1.12 0.57 0.04 1.67 3.38 -0.96 -1.35 115.31 119.78 1ubs h LEU 49 Ca 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ubs h LEU 49 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ubs h LEU 49 CO -0.03 0.61 -0.02 0.50 0.09 0.00 0.00 178.44 179.59 1ubs h LYS 50 N 0.49 -0.05 0.00 1.13 3.64 -1.13 -0.66 116.57 119.99 1ubs h LYS 50 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1ubs h LYS 50 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ubs h LYS 50 CO -0.01 0.48 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.69 1ubs h ASN 51 N -0.97 0.00 0.00 4.20 2.35 -0.38 -3.27 115.58 117.51 1ubs h ASN 51 Ca -0.01 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 1ubs h ASN 51 Cb 0.55 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1ubs h ASN 51 CO 0.01 0.01 -1.56 0.00 -1.65 0.00 0.00 177.43 174.24 1ubs n TYR 52 N -2.37 0.00 0.00 1.19 9.36 -0.61 -4.84 117.16 119.89 1ubs n TYR 52 Ca 0.05 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.20 1ubs n TYR 52 Cb 0.45 -0.37 -0.13 0.00 -0.63 0.00 0.00 39.34 38.66 1ubs n TYR 52 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ubs h ALA 53 N -0.14 0.70 0.00 2.98 0.00 -1.21 -3.45 119.26 118.14 1ubs h ALA 53 Ca -0.23 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.38 1ubs h ALA 53 Cb 1.29 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ubs h ALA 53 CO -0.08 1.44 0.00 0.41 0.00 0.00 0.00 179.25 181.02 1ubs n GLY 54 N 1.50 1.88 3.84 0.00 0.00 -0.58 0.13 105.19 111.96 1ubs n GLY 54 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1ubs n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubs s ARG 55 N -0.63 4.06 0.45 1.61 0.52 -0.36 -4.31 118.95 120.29 1ubs s ARG 55 Ca 0.00 0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 55.86 1ubs s ARG 55 Cb 0.00 -2.28 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 1ubs s ARG 55 CO 0.00 -0.00 0.99 -1.25 0.02 0.00 0.00 175.30 175.06 1ubs s PRO 56 N -3.32 4.07 0.44 3.54 0.05 -1.26 -4.34 135.00 134.17 1ubs s PRO 56 Ca 0.58 1.23 -0.12 0.00 0.05 0.00 0.00 61.00 62.74 1ubs s PRO 56 Cb -0.10 -2.17 -0.06 0.00 0.05 0.00 0.00 34.50 32.22 1ubs s PRO 56 CO 0.19 -0.19 0.83 0.95 0.05 0.00 0.00 177.00 178.84 1ubs s THR 57 N -2.07 4.73 0.72 1.26 -4.23 -1.26 -5.05 115.64 109.74 1ubs s THR 57 Ca 0.64 0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 61.78 1ubs s THR 57 Cb -0.13 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1ubs s THR 57 CO 0.16 -0.60 1.07 0.00 -0.54 0.00 0.00 174.62 174.71 1ubs s ALA 58 N -2.48 2.59 -0.39 3.99 0.00 -1.26 -4.83 121.76 119.37 1ubs s ALA 58 Ca 0.53 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.51 1ubs s ALA 58 Cb -0.10 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 19.98 1ubs s ALA 58 CO 0.33 -1.33 0.11 -1.17 0.00 0.00 0.00 175.76 173.70 1ubs s LEU 59 N -5.59 4.49 -0.21 0.00 2.96 -1.26 -0.74 118.68 118.32 1ubs s LEU 59 Ca 0.59 -2.37 -0.23 0.00 -0.22 0.00 0.00 54.13 51.90 1ubs s LEU 59 Cb -0.14 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1ubs s LEU 59 CO 0.55 -0.34 0.73 -0.89 -1.32 0.00 0.00 176.35 175.07 1ubs s THR 60 N 0.61 4.94 -0.02 3.68 2.01 -0.75 -4.86 115.64 121.25 1ubs s THR 60 Ca 0.13 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 1ubs s THR 60 Cb -0.21 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1ubs s THR 60 CO -0.07 0.03 1.04 -0.75 -0.69 0.00 0.00 174.62 174.19 1ubs s LYS 61 N 2.28 4.49 0.34 4.92 2.20 -1.26 -0.46 119.74 132.25 1ubs s LYS 61 Ca 0.32 1.50 -0.27 0.00 -0.36 0.00 0.00 55.97 57.16 1ubs s LYS 61 Cb -0.16 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1ubs s LYS 61 CO 0.10 -0.18 1.14 0.00 -0.36 0.00 0.00 175.35 176.04 1ubs n GLN 63 N 0.58 0.58 -0.02 0.00 1.13 -1.26 -4.79 117.38 113.60 1ubs n GLN 63 Ca 0.02 0.20 0.05 0.00 -1.94 0.00 0.00 57.00 55.33 1ubs n GLN 63 Cb 0.46 -1.45 -0.12 0.00 0.11 0.00 0.00 30.24 29.24 1ubs n GLN 63 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ubs n ASN 64 N -3.74 1.56 0.18 1.08 3.02 -1.26 -4.67 115.26 111.43 1ubs n ASN 64 Ca -0.48 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.14 1ubs n ASN 64 Cb 0.91 1.57 0.23 0.00 -0.61 0.00 0.00 39.78 41.87 1ubs n ASN 64 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1ubs h ILE 65 N 0.00 0.64 -0.64 2.41 -0.00 -1.87 -3.14 117.51 114.91 1ubs h ILE 65 Ca -0.05 -1.62 0.00 0.00 -0.00 0.00 0.00 64.86 63.19 1ubs h ILE 65 Cb 0.86 2.10 0.00 0.00 -0.00 0.00 0.00 36.82 39.77 1ubs h ILE 65 CO 0.00 0.32 0.00 0.35 -0.00 0.00 0.00 178.15 178.83 1ubs n THR 66 N -3.29 1.36 -1.80 0.16 -2.24 -1.26 -4.98 114.28 102.23 1ubs n THR 66 Ca 0.01 -1.01 -0.42 0.00 -2.27 0.00 0.00 64.05 60.36 1ubs n THR 66 Cb 0.58 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1ubs n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubs s ALA 67 N -1.51 3.78 0.00 6.98 0.00 -1.19 -1.91 121.76 127.90 1ubs s ALA 67 Ca 0.47 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1ubs s ALA 67 Cb 0.28 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ubs s ALA 67 CO 0.26 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1ubs n GLY 68 N 2.69 0.67 3.40 0.00 0.00 -1.26 -5.04 105.19 105.65 1ubs n GLY 68 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1ubs n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubs s THR 69 N -2.03 1.41 -0.85 2.61 2.01 -0.80 -4.92 115.64 113.07 1ubs s THR 69 Ca 0.00 -2.08 0.16 0.00 0.31 0.00 0.00 61.69 60.08 1ubs s THR 69 Cb 0.00 -2.44 0.56 0.00 0.01 0.00 0.00 72.50 70.64 1ubs s THR 69 CO 0.00 -0.29 1.48 0.54 -0.69 0.00 0.00 174.62 175.66 1ubs n ARG 70 N -0.54 3.31 -3.30 4.92 1.74 -0.77 -4.96 116.66 117.06 1ubs n ARG 70 Ca -0.05 -2.65 -0.38 0.00 -0.77 0.00 0.00 57.85 53.99 1ubs n ARG 70 Cb 0.64 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1ubs n ARG 70 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ubs s THR 71 N -1.84 5.00 -0.22 0.55 2.01 -1.25 -2.39 115.64 117.49 1ubs s THR 71 Ca 0.41 1.08 -0.05 0.00 0.31 0.00 0.00 61.69 63.45 1ubs s THR 71 Cb 0.27 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1ubs s THR 71 CO 0.19 0.43 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.64 1ubs s THR 72 N -0.19 3.68 -0.13 -0.82 2.01 0.02 -4.78 115.64 115.43 1ubs s THR 72 Ca 0.28 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 1ubs s THR 72 Cb -0.17 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1ubs s THR 72 CO 0.15 0.41 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.22 1ubs s LEU 73 N 1.35 3.19 0.00 4.42 2.96 -1.26 -1.21 118.68 128.14 1ubs s LEU 73 Ca 0.04 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1ubs s LEU 73 Cb -0.14 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1ubs s LEU 73 CO -0.00 0.22 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.71 1ubs s TYR 74 N 0.04 2.04 -0.16 5.38 2.02 -0.46 -1.35 117.35 124.87 1ubs s TYR 74 Ca -0.01 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1ubs s TYR 74 Cb -0.14 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1ubs s TYR 74 CO 0.03 0.02 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.45 1ubs s LEU 75 N -0.77 3.06 -0.27 -1.29 1.43 0.39 -0.99 118.68 120.24 1ubs s LEU 75 Ca 0.09 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 1ubs s LEU 75 Cb -0.09 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1ubs s LEU 75 CO 0.00 0.14 0.61 -0.75 0.23 0.00 0.00 176.35 176.59 1ubs s LYS 76 N 0.50 4.05 -1.31 1.70 2.47 0.36 -1.80 119.74 125.71 1ubs s LYS 76 Ca -0.05 0.45 -0.13 0.00 -1.56 0.00 0.00 55.97 54.68 1ubs s LYS 76 Cb -0.15 -3.67 0.12 0.00 -1.46 0.00 0.00 37.83 32.67 1ubs s LYS 76 CO 0.03 -0.45 1.82 0.54 0.16 0.00 0.00 175.35 177.45 1ubs n ARG 77 N 5.73 3.31 0.00 4.03 5.12 0.08 -0.88 116.66 134.05 1ubs n ARG 77 Ca -0.01 -3.36 0.14 0.00 -1.93 0.00 0.00 57.85 52.69 1ubs n ARG 77 Cb 0.49 -3.14 0.61 0.00 -1.16 0.00 0.00 32.46 29.26 1ubs n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ubs n GLU 78 N 5.64 0.08 0.19 5.56 -0.58 -1.01 -2.47 120.64 128.05 1ubs n GLU 78 Ca 0.43 -0.01 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 1ubs n GLU 78 Cb 0.40 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.32 1ubs n GLU 78 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1ubs h ASP 79 N 0.02 0.00 -0.29 1.62 2.03 -1.73 -2.56 116.42 115.51 1ubs h ASP 79 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ubs h ASP 79 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1ubs h ASP 79 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1ubs n LEU 80 N -2.59 2.19 -4.82 0.15 4.77 -1.03 -4.47 117.00 111.19 1ubs n LEU 80 Ca 0.02 -0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 54.68 1ubs n LEU 80 Cb 0.29 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1ubs n LEU 80 CO 0.24 0.49 0.52 -0.22 -1.33 0.00 0.00 177.39 177.08 1ubs s LEU 81 N -1.38 4.12 0.11 2.23 2.96 -0.97 -4.87 118.68 120.88 1ubs s LEU 81 Ca 0.32 1.50 -0.33 0.00 -0.22 0.00 0.00 54.13 55.40 1ubs s LEU 81 Cb 0.18 -4.11 -0.12 0.00 0.50 0.00 0.00 46.19 42.63 1ubs s LEU 81 CO 0.25 -0.19 1.73 1.57 -1.32 0.00 0.00 176.35 178.39 1ubs n HIS 82 N -0.11 2.45 0.00 5.38 -0.00 0.12 -0.42 115.22 122.64 1ubs n HIS 82 Ca 0.03 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1ubs n HIS 82 Cb 0.53 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 1ubs n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ubs n GLY 83 N 3.90 2.85 0.86 1.57 0.00 -1.26 -4.60 105.19 108.50 1ubs n GLY 83 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ubs n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubs n GLY 84 N -1.01 0.79 3.57 -0.02 0.00 0.44 -4.99 105.19 103.97 1ubs n GLY 84 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ubs n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs s ALA 85 N -2.05 -1.55 0.64 4.61 0.00 -1.23 -1.48 121.76 120.69 1ubs s ALA 85 Ca 0.00 0.35 0.36 0.00 0.00 0.00 0.00 51.96 52.67 1ubs s ALA 85 Cb 0.00 0.78 2.03 0.00 0.00 0.00 0.00 23.12 25.93 1ubs s ALA 85 CO 0.00 -0.85 2.22 1.12 0.00 0.00 0.00 175.76 178.25 1ubs h HIS 86 N 2.00 0.00 -0.51 0.00 -0.00 -1.34 -3.14 115.15 112.16 1ubs h HIS 86 Ca -0.28 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.24 1ubs h HIS 86 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.67 1ubs h HIS 86 CO 0.30 0.00 0.55 1.79 -0.00 0.00 0.00 177.93 180.57 1ubs h THR 87 N 0.00 0.33 -0.18 6.12 1.35 -1.92 -1.97 112.91 116.64 1ubs h THR 87 Ca 0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.78 1ubs h THR 87 Cb 0.22 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1ubs h THR 87 CO -0.00 0.00 -0.30 0.74 -0.25 0.00 0.00 175.52 175.71 1ubs h THR 88 N 0.00 1.27 0.35 6.82 2.02 -1.84 -3.13 112.91 118.41 1ubs h THR 88 Ca 0.24 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1ubs h THR 88 Cb 1.34 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1ubs h THR 88 CO -0.00 0.41 -0.30 0.78 0.37 0.00 0.00 175.52 176.78 1ubs h ASN 89 N 0.32 -0.79 0.03 4.18 4.21 -1.63 -3.10 115.58 118.81 1ubs h ASN 89 Ca 0.04 0.06 -0.16 0.00 1.21 0.00 0.00 56.30 57.46 1ubs h ASN 89 Cb 0.70 0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.15 1ubs h ASN 89 CO 0.05 -0.44 -0.54 0.06 -1.29 0.00 0.00 177.43 175.28 1ubs h GLN 90 N -0.66 0.55 0.00 0.81 -0.00 -1.62 -3.21 115.11 110.98 1ubs h GLN 90 Ca -0.03 -0.34 -0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1ubs h GLN 90 Cb 0.58 0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 28.10 1ubs h GLN 90 CO -0.03 0.94 -0.01 0.28 -0.00 0.00 0.00 178.83 180.02 1ubs h VAL 91 N 0.42 0.79 0.06 1.86 2.07 -1.54 -1.12 116.25 118.81 1ubs h VAL 91 Ca 0.01 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1ubs h VAL 91 Cb 1.07 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1ubs h VAL 91 CO 0.10 0.01 -0.45 -0.07 0.02 0.00 0.00 177.57 177.18 1ubs h LEU 92 N 0.00 0.29 -1.15 2.57 3.38 -1.56 -2.21 115.31 116.63 1ubs h LEU 92 Ca -0.00 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 56.97 1ubs h LEU 92 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ubs h LEU 92 CO 0.00 1.18 -0.29 1.23 0.09 0.00 0.00 178.44 180.66 1ubs h GLY 93 N -0.56 0.24 0.93 0.83 0.00 -1.41 -2.60 103.07 100.50 1ubs h GLY 93 Ca -0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1ubs h GLY 93 CO 0.09 0.17 -0.24 1.46 0.00 0.00 0.00 176.54 178.02 1ubs h GLN 94 N 0.20 0.65 -0.22 4.80 4.20 -1.29 -1.64 115.11 121.81 1ubs h GLN 94 Ca 0.03 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.35 1ubs h GLN 94 Cb 0.62 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1ubs h GLN 94 CO 0.04 0.93 -0.14 0.00 -0.67 0.00 0.00 178.83 178.99 1ubs h ALA 95 N 0.71 1.36 -0.12 3.87 0.00 -1.32 0.17 119.26 123.93 1ubs h ALA 95 Ca 0.05 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1ubs h ALA 95 Cb 0.79 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ubs h ALA 95 CO 0.06 0.43 -0.71 -0.07 0.00 0.00 0.00 179.25 178.96 1ubs h LEU 96 N 0.34 0.84 -0.48 0.00 4.07 -1.43 -2.71 115.31 115.93 1ubs h LEU 96 Ca 0.06 -0.65 -0.13 0.00 0.08 0.00 0.00 57.88 57.25 1ubs h LEU 96 Cb 0.45 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1ubs h LEU 96 CO 0.03 1.35 -0.21 0.25 -1.08 0.00 0.00 178.44 178.78 1ubs h LEU 97 N 0.38 1.01 -0.98 1.67 5.85 -0.95 -1.73 115.31 120.57 1ubs h LEU 97 Ca -0.05 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1ubs h LEU 97 Cb 1.35 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1ubs h LEU 97 CO 0.15 1.18 0.63 0.00 -0.34 0.00 0.00 178.44 180.06 1ubs h ALA 98 N 0.87 1.35 -0.40 1.25 0.00 -0.57 -2.08 119.26 119.67 1ubs h ALA 98 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1ubs h ALA 98 Cb 0.79 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ubs h ALA 98 CO 0.07 0.44 -0.26 0.87 0.00 0.00 0.00 179.25 180.37 1ubs h LYS 99 N 1.16 0.83 0.00 0.00 1.57 -1.25 -0.89 116.57 117.99 1ubs h LYS 99 Ca 0.42 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1ubs h LYS 99 Cb 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ubs h LYS 99 CO -0.16 0.99 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.54 1ubs h ARG 100 N 0.71 0.00 -0.01 3.15 2.43 -0.64 0.68 114.38 120.71 1ubs h ARG 100 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ubs h ARG 100 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1ubs h ARG 100 CO 0.07 0.08 -0.13 -1.33 -1.51 0.00 0.00 179.97 177.14 1ubs n MET 101 N -4.29 1.37 -1.05 0.20 2.81 -0.99 -4.93 117.12 110.24 1ubs n MET 101 Ca -0.03 -0.87 -0.02 0.00 -1.81 0.00 0.00 57.70 54.98 1ubs n MET 101 Cb 0.16 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 1ubs n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubs n GLY 102 N 1.27 0.52 3.86 3.03 0.00 0.23 -5.03 105.19 109.07 1ubs n GLY 102 Ca 0.15 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1ubs n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubs s LYS 103 N -1.92 3.80 0.00 1.61 -0.14 -0.37 -4.99 119.74 117.74 1ubs s LYS 103 Ca 0.00 0.71 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 1ubs s LYS 103 Cb 0.00 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1ubs s LYS 103 CO 0.00 -0.25 0.27 -1.13 -0.76 0.00 0.00 175.35 173.49 1ubs n SER 104 N -1.75 0.43 -4.30 2.83 3.41 -0.82 -4.31 113.62 109.11 1ubs n SER 104 Ca 0.05 -1.07 -0.20 0.00 -0.26 0.00 0.00 58.87 57.39 1ubs n SER 104 Cb 0.54 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1ubs n SER 104 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ubs s GLU 105 N -0.07 1.19 -0.02 4.33 2.02 -1.12 -1.52 118.70 123.51 1ubs s GLU 105 Ca 0.00 -1.35 0.01 0.00 0.02 0.00 0.00 54.97 53.65 1ubs s GLU 105 Cb 0.00 -1.18 0.01 0.00 0.10 0.00 0.00 34.13 33.07 1ubs s GLU 105 CO 0.00 0.23 -0.02 0.42 0.02 0.00 0.00 175.26 175.92 1ubs s ILE 106 N -2.10 0.24 -0.10 -1.63 -1.09 0.36 -1.89 121.20 114.99 1ubs s ILE 106 Ca 0.13 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 1ubs s ILE 106 Cb -0.05 -0.28 -0.01 0.00 -1.58 0.00 0.00 42.46 40.54 1ubs s ILE 106 CO 0.05 0.12 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.09 1ubs s ILE 107 N 0.57 2.74 0.01 2.92 1.01 -0.20 -1.43 121.20 126.81 1ubs s ILE 107 Ca -0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1ubs s ILE 107 Cb -0.09 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 1ubs s ILE 107 CO -0.01 0.55 0.11 0.00 0.00 0.00 0.00 174.94 175.59 1ubs s ALA 108 N 0.11 -0.25 0.10 9.38 0.00 -1.00 0.14 121.76 130.24 1ubs s ALA 108 Ca -0.08 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1ubs s ALA 108 Cb -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ubs s ALA 108 CO 0.05 -0.20 -0.15 -1.83 0.00 0.00 0.00 175.76 173.63 1ubs s GLU 109 N -1.42 1.96 -0.07 0.00 1.03 -1.26 -1.85 118.70 117.09 1ubs s GLU 109 Ca -0.15 -1.09 -0.12 0.00 0.03 0.00 0.00 54.97 53.64 1ubs s GLU 109 Cb -0.08 -2.20 0.02 0.00 -0.80 0.00 0.00 34.13 31.07 1ubs s GLU 109 CO 0.01 0.50 0.29 -0.08 -1.33 0.00 0.00 175.26 174.65 1ubs s THR 110 N -1.14 0.03 0.00 1.83 -1.32 -0.87 -4.56 115.64 109.61 1ubs s THR 110 Ca 0.19 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1ubs s THR 110 Cb -0.11 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1ubs s THR 110 CO 0.11 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1ubs n GLY 111 N 2.15 -0.43 0.18 6.08 0.00 -1.26 -4.42 105.19 107.48 1ubs n GLY 111 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1ubs n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs h ALA 112 N -1.97 0.99 0.00 4.61 0.00 -1.92 -3.47 119.26 117.51 1ubs h ALA 112 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ubs h ALA 112 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ubs h ALA 112 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1ubs n GLY 113 N 0.24 0.86 0.23 0.00 0.00 -1.26 -4.91 105.19 100.35 1ubs n GLY 113 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ubs n GLY 113 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ubs h GLN 114 N 1.75 0.77 -0.07 1.61 5.75 -1.97 0.45 115.11 123.40 1ubs h GLN 114 Ca 0.00 -0.28 -0.22 0.00 -0.15 0.00 0.00 58.65 58.00 1ubs h GLN 114 Cb 0.00 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.50 1ubs h GLN 114 CO 0.00 0.88 -0.85 1.25 -2.65 0.00 0.00 178.83 177.46 1ubs h HIS 115 N 0.59 0.79 0.15 3.99 2.76 -1.94 -2.09 115.15 119.40 1ubs h HIS 115 Ca 0.11 -0.38 0.01 0.00 -2.20 0.00 0.00 60.37 57.91 1ubs h HIS 115 Cb 0.57 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1ubs h HIS 115 CO 0.05 1.19 -0.19 0.78 -1.30 0.00 0.00 177.93 178.46 1ubs h GLY 116 N 0.94 -0.37 0.63 5.26 0.00 -1.77 0.19 103.07 107.96 1ubs h GLY 116 Ca -0.06 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1ubs h GLY 116 CO 0.16 -0.18 0.24 -2.08 0.00 0.00 0.00 176.54 174.68 1ubs h VAL 117 N -0.38 0.90 -0.10 4.60 2.07 -0.89 -1.45 116.25 121.01 1ubs h VAL 117 Ca 0.01 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1ubs h VAL 117 Cb 0.38 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1ubs h VAL 117 CO -0.07 0.08 -0.21 0.00 0.02 0.00 0.00 177.57 177.39 1ubs h ALA 118 N 1.31 1.48 -0.17 1.67 0.00 -1.03 -1.47 119.26 121.04 1ubs h ALA 118 Ca 0.24 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ubs h ALA 118 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ubs h ALA 118 CO -0.20 0.38 -0.21 0.77 0.00 0.00 0.00 179.25 179.99 1ubs h SER 119 N 0.15 0.49 -0.47 0.00 0.02 0.04 -2.58 113.55 111.19 1ubs h SER 119 Ca 0.03 -0.50 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1ubs h SER 119 Cb 0.46 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1ubs h SER 119 CO 0.03 0.89 0.24 0.00 -1.14 0.00 0.00 176.83 176.85 1ubs h ALA 120 N 0.61 0.60 -0.53 3.77 0.00 -1.03 -1.67 119.26 121.02 1ubs h ALA 120 Ca 0.02 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ubs h ALA 120 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ubs h ALA 120 CO 0.05 -0.11 -0.12 1.37 0.00 0.00 0.00 179.25 180.44 1ubs h LEU 121 N 0.48 1.00 -0.69 0.00 8.10 -1.28 -0.33 115.31 122.57 1ubs h LEU 121 Ca 0.20 -0.33 -0.11 0.00 0.11 0.00 0.00 57.88 57.75 1ubs h LEU 121 Cb 0.11 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.04 1ubs h LEU 121 CO -0.14 1.12 -0.21 0.00 -4.11 0.00 0.00 178.44 175.10 1ubs h ALA 122 N 0.97 0.88 -0.15 0.17 0.00 -1.26 -1.78 119.26 118.09 1ubs h ALA 122 Ca 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1ubs h ALA 122 Cb 0.68 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ubs h ALA 122 CO 0.05 0.63 -0.03 0.77 0.00 0.00 0.00 179.25 180.67 1ubs h SER 123 N 0.69 0.29 -0.05 0.00 0.02 -1.15 -1.23 113.55 112.12 1ubs h SER 123 Ca 0.10 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1ubs h SER 123 Cb 0.72 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 1ubs h SER 123 CO 0.06 0.58 -0.09 0.00 -1.14 0.00 0.00 176.83 176.23 1ubs h ALA 124 N 0.72 -0.06 -0.59 3.77 0.00 -1.00 0.11 119.26 122.20 1ubs h ALA 124 Ca 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1ubs h ALA 124 Cb 0.45 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ubs h ALA 124 CO 0.01 -0.57 0.04 1.25 0.00 0.00 0.00 179.25 179.98 1ubs h LEU 125 N -0.13 1.00 -1.68 0.00 5.85 -1.30 -3.26 115.31 115.79 1ubs h LEU 125 Ca 0.05 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1ubs h LEU 125 Cb 0.20 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1ubs h LEU 125 CO -0.13 1.04 -0.05 0.18 -0.34 0.00 0.00 178.44 179.14 1ubs n LEU 126 N -4.24 2.66 -2.60 2.25 4.77 -0.47 -5.01 117.00 114.36 1ubs n LEU 126 Ca 0.03 -0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 55.04 1ubs n LEU 126 Cb 0.32 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1ubs n LEU 126 CO 0.43 0.45 0.06 0.61 -1.33 0.00 0.00 177.39 177.62 1ubs n GLY 127 N 1.33 -0.53 3.44 -0.72 0.00 0.23 -5.04 105.19 103.90 1ubs n GLY 127 Ca 0.14 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 1ubs n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ubs s LEU 128 N -4.26 2.49 0.12 0.99 1.43 -0.36 -5.00 118.68 114.09 1ubs s LEU 128 Ca 0.23 -0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 52.34 1ubs s LEU 128 Cb -0.03 -1.27 -0.07 0.00 0.03 0.00 0.00 46.19 44.85 1ubs s LEU 128 CO 0.48 0.14 0.65 -0.54 0.23 0.00 0.00 176.35 177.31 1ubs s LYS 129 N -2.50 4.33 -0.08 1.70 1.02 -0.58 -4.56 119.74 119.08 1ubs s LYS 129 Ca 0.19 0.89 0.02 0.00 0.02 0.00 0.00 55.97 57.10 1ubs s LYS 129 Cb -0.09 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1ubs s LYS 129 CO 0.10 0.59 -0.13 0.00 -0.92 0.00 0.00 175.35 174.98 1ubs s ARG 131 N 0.75 2.04 -0.07 0.00 1.70 -0.51 -0.26 118.95 122.60 1ubs s ARG 131 Ca -0.13 -0.88 0.02 0.00 -0.47 0.00 0.00 55.73 54.28 1ubs s ARG 131 Cb -0.16 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.29 1ubs s ARG 131 CO 0.03 0.51 -0.12 0.42 -1.08 0.00 0.00 175.30 175.05 1ubs s ILE 132 N -0.52 1.16 -0.16 4.99 1.01 0.14 -2.37 121.20 125.44 1ubs s ILE 132 Ca 0.08 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 1ubs s ILE 132 Cb -0.10 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1ubs s ILE 132 CO -0.00 0.36 0.15 -0.31 0.00 0.00 0.00 174.94 175.14 1ubs s TYR 133 N 0.69 3.49 -0.11 3.97 2.02 -0.77 0.17 117.35 126.81 1ubs s TYR 133 Ca -0.14 0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.95 1ubs s TYR 133 Cb -0.16 -2.09 0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1ubs s TYR 133 CO 0.03 0.47 0.25 1.41 -1.57 0.00 0.00 175.55 176.14 1ubs s MET 134 N -0.19 0.18 0.27 -0.62 1.75 -0.70 -2.04 119.30 117.94 1ubs s MET 134 Ca 0.12 0.60 -0.30 0.00 -1.25 0.00 0.00 55.69 54.86 1ubs s MET 134 Cb -0.12 -0.10 -0.13 0.00 2.84 0.00 0.00 34.83 37.32 1ubs s MET 134 CO 0.01 -0.21 1.31 0.41 -0.65 0.00 0.00 175.02 175.89 1ubs n GLY 135 N 4.65 0.55 0.35 2.11 0.00 -1.26 -0.47 105.19 111.11 1ubs n GLY 135 Ca -0.18 0.43 0.18 0.00 0.00 0.00 0.00 46.02 46.45 1ubs n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs h ALA 136 N 3.42 1.69 -0.04 4.61 0.00 -0.96 0.22 119.26 128.21 1ubs h ALA 136 Ca -0.45 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 1ubs h ALA 136 Cb 1.29 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.11 1ubs h ALA 136 CO 0.70 -0.38 -0.98 0.87 0.00 0.00 0.00 179.25 179.45 1ubs h LYS 137 N 0.00 0.73 -0.37 0.00 1.57 -1.68 -2.57 116.57 114.24 1ubs h LYS 137 Ca 0.09 -0.74 -0.14 0.00 -1.87 0.00 0.00 60.65 57.99 1ubs h LYS 137 Cb 0.67 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1ubs h LYS 137 CO -0.00 1.32 -0.30 -0.44 -0.57 0.00 0.00 179.45 179.46 1ubs h ASP 138 N 0.43 0.90 0.06 0.86 3.32 -0.78 -3.01 116.42 118.20 1ubs h ASP 138 Ca -0.11 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 1ubs h ASP 138 Cb 1.63 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1ubs h ASP 138 CO 0.20 1.16 -0.03 0.58 -1.72 0.00 0.00 179.24 179.43 1ubs h VAL 139 N 0.66 0.94 -0.60 -1.35 2.07 -1.16 -1.39 116.25 115.42 1ubs h VAL 139 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1ubs h VAL 139 Cb 0.88 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ubs h VAL 139 CO 0.08 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 178.04 1ubs h GLU 140 N -0.08 0.00 0.00 1.57 4.81 -1.40 -1.77 114.58 117.71 1ubs h GLU 140 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1ubs h GLU 140 Cb 0.06 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 1ubs h GLU 140 CO 0.01 0.00 -0.47 2.89 -0.73 0.00 0.00 179.01 180.71 1ubs n ARG 141 N -4.23 0.97 -1.00 1.92 0.00 -1.09 -4.61 116.66 108.62 1ubs n ARG 141 Ca 0.11 -2.53 0.05 0.00 -0.00 0.00 0.00 57.85 55.48 1ubs n ARG 141 Cb 0.69 -1.11 0.08 0.00 -0.00 0.00 0.00 32.46 32.13 1ubs n ARG 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1ubs n GLN 142 N -0.73 0.58 -0.28 2.89 -0.06 -0.54 -4.92 117.38 114.32 1ubs n GLN 142 Ca 0.13 -2.32 0.03 0.00 -2.00 0.00 0.00 57.00 52.84 1ubs n GLN 142 Cb 0.77 -0.66 0.11 0.00 -4.06 0.00 0.00 30.24 26.39 1ubs n GLN 142 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 1ubs h SER 143 N 0.81 -0.71 -0.06 1.69 0.02 -1.78 0.10 113.55 113.62 1ubs h SER 143 Ca -0.12 0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1ubs h SER 143 Cb 1.50 0.48 -0.05 0.00 0.14 0.00 0.00 62.40 64.48 1ubs h SER 143 CO 0.05 -0.26 -0.22 -0.65 -1.14 0.00 0.00 176.83 174.61 1ubs h PRO 144 N 0.01 -0.30 0.00 3.45 0.11 -1.91 -0.70 132.00 132.65 1ubs h PRO 144 Ca 0.39 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.44 1ubs h PRO 144 Cb 0.61 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1ubs h PRO 144 CO -0.81 -0.20 -0.38 -0.91 -0.21 0.00 0.00 178.00 175.48 1ubs h ASN 145 N -0.31 0.00 0.45 -2.05 -0.26 -1.73 -2.10 115.58 109.58 1ubs h ASN 145 Ca 0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.80 1ubs h ASN 145 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1ubs h ASN 145 CO -0.24 0.38 -0.22 0.58 -1.06 0.00 0.00 177.43 176.88 1ubs h VAL 146 N 0.00 0.55 -0.12 2.81 2.07 0.20 -0.63 116.25 121.13 1ubs h VAL 146 Ca -0.00 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1ubs h VAL 146 Cb 0.74 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1ubs h VAL 146 CO 0.05 0.00 -0.20 0.15 0.02 0.00 0.00 177.57 177.59 1ubs h PHE 147 N -0.62 -0.52 -0.77 1.57 3.57 -1.14 0.20 116.94 119.23 1ubs h PHE 147 Ca -0.06 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.60 1ubs h PHE 147 Cb 0.47 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 1ubs h PHE 147 CO -0.04 -0.28 0.34 -0.09 -2.23 0.00 0.00 178.31 176.01 1ubs h ARG 148 N -0.26 0.49 -0.28 1.11 2.43 -1.26 0.32 114.38 116.92 1ubs h ARG 148 Ca 0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1ubs h ARG 148 Cb 0.40 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1ubs h ARG 148 CO -0.27 0.32 0.05 0.52 -1.51 0.00 0.00 179.97 179.08 1ubs h MET 149 N 0.50 0.46 -0.63 0.20 2.86 0.82 -2.92 114.93 116.22 1ubs h MET 149 Ca 0.42 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1ubs h MET 149 Cb 0.60 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1ubs h MET 149 CO -0.38 0.56 0.05 0.00 1.06 0.00 0.00 176.91 178.21 1ubs h ARG 150 N 0.28 1.08 -0.95 1.72 3.08 0.06 -2.27 114.38 117.38 1ubs h ARG 150 Ca 0.09 -0.31 0.14 0.00 0.07 0.00 0.00 59.98 59.96 1ubs h ARG 150 Cb 0.32 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 1ubs h ARG 150 CO 0.00 1.02 0.60 -0.07 -1.07 0.00 0.00 179.97 180.45 1ubs h LEU 151 N 0.98 0.78 -0.41 3.04 3.38 -0.34 0.78 115.31 123.53 1ubs h LEU 151 Ca 0.19 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ubs h LEU 151 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ubs h LEU 151 CO 0.02 0.39 0.00 0.23 0.09 0.00 0.00 178.44 179.17 1ubs n MET 152 N -4.60 1.26 -0.75 1.13 2.81 -1.03 -4.92 117.12 111.03 1ubs n MET 152 Ca 0.18 -0.40 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1ubs n MET 152 Cb 0.43 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1ubs n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubs n GLY 153 N 0.84 0.55 3.87 3.03 0.00 0.27 -4.64 105.19 109.12 1ubs n GLY 153 Ca 0.11 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1ubs n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs s ALA 154 N -2.00 3.65 -0.25 4.61 0.00 -0.88 -4.71 121.76 122.17 1ubs s ALA 154 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 1ubs s ALA 154 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1ubs s ALA 154 CO 0.00 0.54 0.47 -2.00 0.00 0.00 0.00 175.76 174.77 1ubs s GLU 155 N -2.36 4.08 -0.25 0.00 2.12 0.64 -4.24 118.70 118.70 1ubs s GLU 155 Ca 0.40 0.26 -0.11 0.00 0.36 0.00 0.00 54.97 55.88 1ubs s GLU 155 Cb -0.13 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 1ubs s GLU 155 CO 0.20 -0.27 0.17 0.08 -0.54 0.00 0.00 175.26 174.90 1ubs s VAL 156 N 2.06 5.33 -0.29 3.70 1.01 -1.26 0.26 120.40 131.22 1ubs s VAL 156 Ca 0.20 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1ubs s VAL 156 Cb -0.16 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1ubs s VAL 156 CO 0.09 0.32 -0.05 -0.63 0.00 0.00 0.00 175.10 174.84 1ubs s ILE 157 N 1.22 2.40 0.15 2.22 1.01 0.45 -4.93 121.20 123.72 1ubs s ILE 157 Ca 0.07 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 1ubs s ILE 157 Cb -0.14 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 1ubs s ILE 157 CO 0.06 -0.16 1.23 -2.16 0.00 0.00 0.00 174.94 173.90 1ubs s PRO 158 N 1.10 4.45 -0.28 2.79 0.04 -1.25 -1.72 135.00 140.13 1ubs s PRO 158 Ca -0.04 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1ubs s PRO 158 Cb -0.20 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1ubs s PRO 158 CO -0.05 -0.17 0.19 0.08 0.04 0.00 0.00 177.00 177.09 1ubs s VAL 159 N 0.34 5.31 -0.68 -0.36 1.01 0.38 -4.75 120.40 121.65 1ubs s VAL 159 Ca 0.56 0.18 0.22 0.00 0.00 0.00 0.00 61.98 62.94 1ubs s VAL 159 Cb -0.33 -3.53 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 1ubs s VAL 159 CO 0.34 0.25 0.93 1.41 0.00 0.00 0.00 175.10 178.03 1ubs n HIS 160 N 5.03 0.11 -2.59 5.22 8.25 -1.26 -0.76 115.22 129.23 1ubs n HIS 160 Ca -0.14 0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 1ubs n HIS 160 Cb 0.52 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.30 1ubs n HIS 160 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ubs s SER 161 N -3.63 7.40 1.18 0.41 1.04 -1.26 -4.49 113.70 114.35 1ubs s SER 161 Ca 0.04 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.54 1ubs s SER 161 Cb 0.15 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1ubs s SER 161 CO 0.83 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.59 1ubs n GLY 162 N 1.67 1.49 0.58 7.32 0.00 -1.26 -2.64 105.19 112.35 1ubs n GLY 162 Ca 0.00 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.65 1ubs n GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ubs n SER 163 N 7.44 1.82 -3.87 1.61 3.41 -1.26 -4.96 113.62 117.80 1ubs n SER 163 Ca 0.00 -1.61 -0.26 0.00 -0.26 0.00 0.00 58.87 56.74 1ubs n SER 163 Cb 0.00 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1ubs n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ubs n ALA 164 N 0.42 -2.10 -3.82 7.33 0.00 -1.08 -4.81 120.51 116.45 1ubs n ALA 164 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1ubs n ALA 164 Cb 0.40 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1ubs n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ubs n THR 165 N -4.35 0.00 -0.32 0.00 -1.04 -1.26 -2.14 114.28 105.16 1ubs n THR 165 Ca -0.28 -1.39 0.13 0.00 -2.04 0.00 0.00 64.05 60.47 1ubs n THR 165 Cb 0.67 0.63 0.35 0.00 -1.82 0.00 0.00 70.33 70.17 1ubs n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ubs h LEU 166 N 0.00 0.72 -0.27 -4.42 5.85 -1.90 -2.14 115.31 113.14 1ubs h LEU 166 Ca -0.15 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1ubs h LEU 166 Cb 0.69 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1ubs h LEU 166 CO 0.23 0.30 -0.30 0.50 -0.34 0.00 0.00 178.44 178.83 1ubs h LYS 167 N 0.73 -0.28 -0.16 1.25 3.64 -1.97 -0.60 116.57 119.18 1ubs h LYS 167 Ca 0.53 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.87 1ubs h LYS 167 Cb 0.86 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1ubs h LYS 167 CO -0.30 -0.19 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.10 1ubs h ASP 168 N -0.29 0.24 -0.10 4.20 3.32 -1.70 -2.43 116.42 119.66 1ubs h ASP 168 Ca 0.14 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1ubs h ASP 168 Cb 0.52 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.01 1ubs h ASP 168 CO -0.44 0.42 -0.50 0.00 -1.72 0.00 0.00 179.24 177.01 1ubs h ALA 169 N 1.61 0.19 -0.33 3.45 0.00 -0.98 -2.44 119.26 120.76 1ubs h ALA 169 Ca 0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1ubs h ALA 169 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ubs h ALA 169 CO 0.03 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.76 1ubs h ASN 171 N 0.46 0.11 -0.89 0.00 2.35 -1.31 -2.84 115.58 113.46 1ubs h ASN 171 Ca 0.11 -0.40 0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1ubs h ASN 171 Cb 0.13 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 1ubs h ASN 171 CO -0.01 0.49 0.58 -0.33 -1.65 0.00 0.00 177.43 176.51 1ubs h GLU 172 N -0.26 1.03 -0.27 0.81 4.39 -1.28 -0.43 114.58 118.57 1ubs h GLU 172 Ca 0.01 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 1ubs h GLU 172 Cb 0.44 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1ubs h GLU 172 CO 0.01 0.68 -0.25 0.00 -1.16 0.00 0.00 179.01 178.29 1ubs h ALA 173 N 1.50 1.07 -0.15 3.43 0.00 -1.22 -2.02 119.26 121.87 1ubs h ALA 173 Ca 0.37 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1ubs h ALA 173 Cb 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ubs h ALA 173 CO -0.12 0.57 -0.51 -0.07 0.00 0.00 0.00 179.25 179.11 1ubs h LEU 174 N 0.45 0.71 -0.27 0.00 3.38 -1.07 -1.38 115.31 117.13 1ubs h LEU 174 Ca 0.07 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.48 1ubs h LEU 174 Cb 0.68 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1ubs h LEU 174 CO 0.05 1.19 -0.07 0.03 0.09 0.00 0.00 178.44 179.73 1ubs h ARG 175 N 0.26 -0.01 0.70 1.13 3.08 -0.96 -1.63 114.38 116.95 1ubs h ARG 175 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1ubs h ARG 175 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1ubs h ARG 175 CO 0.11 -0.01 -0.45 0.22 -1.07 0.00 0.00 179.97 178.77 1ubs h ASP 176 N -0.01 -1.16 -0.49 7.04 1.82 -1.38 -1.98 116.42 120.26 1ubs h ASP 176 Ca 0.13 0.07 0.14 0.00 -0.39 0.00 0.00 57.03 56.98 1ubs h ASP 176 Cb 0.21 0.34 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1ubs h ASP 176 CO -0.29 -0.69 0.43 -0.25 -1.61 0.00 0.00 179.24 176.83 1ubs h TRP 177 N -1.10 0.00 -0.07 0.28 7.01 -1.09 -1.97 115.95 119.01 1ubs h TRP 177 Ca -0.09 0.00 0.04 0.00 2.11 0.00 0.00 58.89 60.95 1ubs h TRP 177 Cb 0.89 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.90 1ubs h TRP 177 CO -0.12 0.00 -0.27 0.77 -2.79 0.00 0.00 178.44 176.03 1ubs h SER 178 N 0.00 -0.83 1.33 2.65 0.02 -0.49 -1.25 113.55 114.98 1ubs h SER 178 Ca 0.23 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1ubs h SER 178 Cb 1.08 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1ubs h SER 178 CO -0.00 -0.33 -0.31 1.23 -1.14 0.00 0.00 176.83 176.28 1ubs h GLY 179 N -0.38 0.00 -0.06 -3.77 0.00 -1.41 -3.39 103.07 94.06 1ubs h GLY 179 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ubs h GLY 179 CO -0.28 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 175.09 1ubs n SER 180 N -2.42 2.06 0.00 0.19 3.41 -0.82 -4.75 113.62 111.29 1ubs n SER 180 Ca 0.04 -2.71 0.05 0.00 -0.26 0.00 0.00 58.87 55.99 1ubs n SER 180 Cb 0.47 -0.30 0.25 0.00 -0.26 0.00 0.00 64.21 64.36 1ubs n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ubs n TYR 181 N -1.09 0.00 0.05 7.33 0.18 -0.49 -0.47 117.16 122.67 1ubs n TYR 181 Ca 0.11 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.81 1ubs n TYR 181 Cb 0.55 -0.25 -0.13 0.00 -0.38 0.00 0.00 39.34 39.13 1ubs n TYR 181 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1ubs h GLU 182 N 0.00 0.02 0.00 -3.48 3.07 -1.87 -3.37 114.58 108.96 1ubs h GLU 182 Ca 0.00 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1ubs h GLU 182 Cb 0.08 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1ubs h GLU 182 CO 0.00 0.93 -1.82 0.25 -1.40 0.00 0.00 179.01 176.97 1ubs n THR 183 N -3.31 0.66 -4.07 1.13 -2.24 -1.02 -4.83 114.28 100.60 1ubs n THR 183 Ca -0.04 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 1ubs n THR 183 Cb 0.97 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 1ubs n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubs s ALA 184 N -2.47 3.52 -0.08 6.98 0.00 0.38 -1.94 121.76 128.14 1ubs s ALA 184 Ca -0.06 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1ubs s ALA 184 Cb 0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1ubs s ALA 184 CO 0.54 0.73 -0.18 -1.58 0.00 0.00 0.00 175.76 175.26 1ubs s HIS 185 N -1.40 2.63 -0.39 0.00 2.46 -0.79 -4.45 115.29 113.35 1ubs s HIS 185 Ca 0.29 -0.58 -0.20 0.00 0.47 0.00 0.00 55.06 55.04 1ubs s HIS 185 Cb -0.12 -1.69 0.01 0.00 -0.13 0.00 0.00 32.58 30.65 1ubs s HIS 185 CO 0.21 -0.13 0.61 -0.47 -2.47 0.00 0.00 174.74 172.50 1ubs s TYR 186 N -0.11 3.12 -1.09 3.88 5.04 -1.26 -1.04 117.35 125.90 1ubs s TYR 186 Ca -0.03 0.13 -0.13 0.00 -2.44 0.00 0.00 57.07 54.59 1ubs s TYR 186 Cb -0.14 -3.19 0.20 0.00 0.35 0.00 0.00 41.96 39.18 1ubs s TYR 186 CO 0.04 -0.72 1.21 1.41 -1.34 0.00 0.00 175.55 176.15 1ubs s MET 187 N 2.69 3.98 0.38 4.97 -2.45 0.37 -4.95 119.30 124.29 1ubs s MET 187 Ca 0.22 -2.60 -0.27 0.00 -1.25 0.00 0.00 55.69 51.79 1ubs s MET 187 Cb -0.15 -4.82 -0.09 0.00 1.25 0.00 0.00 34.83 31.02 1ubs s MET 187 CO 0.16 -1.56 1.28 -1.17 1.05 0.00 0.00 175.02 174.78 1ubs s LEU 188 N 0.81 4.29 0.15 4.11 2.96 -1.26 -4.32 118.68 125.43 1ubs s LEU 188 Ca 0.35 2.61 0.24 0.00 -0.22 0.00 0.00 54.13 57.10 1ubs s LEU 188 Cb -0.06 -3.83 0.91 0.00 0.50 0.00 0.00 46.19 43.71 1ubs s LEU 188 CO -0.05 -0.70 1.73 0.61 -1.32 0.00 0.00 176.35 176.62 1ubs n GLY 189 N 0.72 -1.41 3.48 7.98 0.00 -1.26 -4.96 105.19 109.74 1ubs n GLY 189 Ca 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ubs n GLY 189 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ubs s THR 190 N -3.14 0.00 -1.36 2.61 -1.32 -1.26 -4.94 115.64 106.24 1ubs s THR 190 Ca 0.08 -1.60 -0.07 0.00 -1.21 0.00 0.00 61.69 58.89 1ubs s THR 190 Cb 0.12 -2.50 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1ubs s THR 190 CO 0.46 0.00 2.65 0.00 -2.21 0.00 0.00 174.62 175.52 1ubs n ALA 191 N -0.48 7.06 -3.82 11.08 0.00 -1.26 -4.77 120.51 128.32 1ubs n ALA 191 Ca 0.00 -3.78 -0.15 0.00 0.00 0.00 0.00 53.44 49.52 1ubs n ALA 191 Cb 0.62 -2.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 1ubs n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubs n ALA 192 N 2.36 0.42 0.00 0.00 0.00 -1.26 -4.17 120.51 117.86 1ubs n ALA 192 Ca 0.67 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1ubs n ALA 192 Cb 0.27 0.93 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1ubs n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubs n GLY 193 N -0.21 -1.69 3.80 0.00 0.00 -1.26 -4.01 105.19 101.81 1ubs n GLY 193 Ca 0.03 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1ubs n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubs s PRO 194 N 0.00 3.75 0.48 1.61 0.04 -1.24 -4.57 135.00 135.07 1ubs s PRO 194 Ca 0.00 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 1ubs s PRO 194 Cb 0.00 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1ubs s PRO 194 CO 0.00 -0.48 1.06 1.58 0.04 0.00 0.00 177.00 179.20 1ubs n HIS 195 N -1.02 1.29 0.21 0.56 -0.00 -0.59 -1.08 115.22 114.59 1ubs n HIS 195 Ca 0.09 0.50 0.04 0.00 -0.00 0.00 0.00 57.72 58.36 1ubs n HIS 195 Cb 0.52 -2.23 0.20 0.00 -0.00 0.00 0.00 29.99 28.48 1ubs n HIS 195 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ubs n PRO 196 N -0.27 2.74 -0.09 1.57 -0.04 -1.26 -4.89 135.00 132.76 1ubs n PRO 196 Ca 0.10 -1.60 -0.07 0.00 -0.04 0.00 0.00 63.50 61.88 1ubs n PRO 196 Cb 0.42 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1ubs n PRO 196 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1ubs h TYR 197 N 2.18 0.22 -0.44 0.54 0.05 -1.39 -1.44 116.97 116.69 1ubs h TYR 197 Ca 0.00 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.87 1ubs h TYR 197 Cb 1.07 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 1ubs h TYR 197 CO 0.49 0.10 0.30 -1.35 -1.05 0.00 0.00 178.16 176.66 1ubs h PRO 198 N 0.27 0.28 0.23 4.88 0.11 -1.76 0.59 132.00 136.60 1ubs h PRO 198 Ca 0.14 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.90 1ubs h PRO 198 Cb 0.09 -0.06 0.04 0.00 0.11 0.00 0.00 31.00 31.17 1ubs h PRO 198 CO -0.13 0.18 -1.44 1.15 -0.21 0.00 0.00 178.00 177.56 1ubs h THR 199 N 0.29 1.28 0.14 -1.15 2.02 -1.82 -3.19 112.91 110.48 1ubs h THR 199 Ca 0.20 -2.66 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 1ubs h THR 199 Cb 0.42 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1ubs h THR 199 CO -0.04 0.80 -0.06 0.40 0.37 0.00 0.00 175.52 176.98 1ubs h ILE 200 N 0.17 1.02 -0.26 3.11 2.04 -0.72 -2.39 117.51 120.49 1ubs h ILE 200 Ca -0.24 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.62 1ubs h ILE 200 Cb 2.13 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1ubs h ILE 200 CO 0.27 0.23 0.18 0.58 0.00 0.00 0.00 178.15 179.41 1ubs h VAL 201 N -0.71 0.95 -0.09 1.67 2.07 -1.05 -1.95 116.25 117.14 1ubs h VAL 201 Ca -0.02 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 1ubs h VAL 201 Cb 0.52 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ubs h VAL 201 CO 0.03 0.03 -0.47 -0.09 0.02 0.00 0.00 177.57 177.09 1ubs h ARG 202 N 0.14 0.47 0.00 1.57 2.43 -1.59 -2.94 114.38 114.46 1ubs h ARG 202 Ca 0.12 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1ubs h ARG 202 Cb 0.28 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ubs h ARG 202 CO -0.02 1.02 -0.37 0.93 -1.51 0.00 0.00 179.97 180.02 1ubs h GLU 203 N 0.04 0.00 -0.21 0.20 4.39 -1.09 -1.43 114.58 116.48 1ubs h GLU 203 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ubs h GLU 203 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ubs h GLU 203 CO 0.10 0.37 0.00 1.19 -1.16 0.00 0.00 179.01 179.51 1ubs n PHE 204 N -3.84 0.27 -0.29 4.33 3.72 -0.76 -3.70 117.46 117.18 1ubs n PHE 204 Ca -0.01 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1ubs n PHE 204 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1ubs n PHE 204 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ubs n GLN 205 N 0.47 -0.66 0.00 -1.08 1.13 -1.01 -3.10 117.38 113.13 1ubs n GLN 205 Ca 0.16 -0.37 0.12 0.00 -1.94 0.00 0.00 57.00 54.97 1ubs n GLN 205 Cb 0.36 -0.86 0.56 0.00 0.11 0.00 0.00 30.24 30.41 1ubs n GLN 205 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1ubs n ARG 206 N -0.01 0.12 0.24 -1.09 1.85 -0.57 -2.86 116.66 114.34 1ubs n ARG 206 Ca 0.00 0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.04 1ubs n ARG 206 Cb 0.08 -1.50 0.58 0.00 -1.05 0.00 0.00 32.46 30.57 1ubs n ARG 206 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ubs h MET 207 N 0.00 0.00 0.35 2.89 -0.00 -1.84 -2.09 114.93 114.23 1ubs h MET 207 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1ubs h MET 207 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.93 1ubs h MET 207 CO 0.00 0.16 -0.48 0.82 -0.00 0.00 0.00 176.91 177.41 1ubs h ILE 208 N 0.00 0.00 -0.64 -0.10 2.04 -1.71 0.68 117.51 117.78 1ubs h ILE 208 Ca -0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1ubs h ILE 208 Cb 0.58 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1ubs h ILE 208 CO 0.02 0.00 0.10 1.23 0.00 0.00 0.00 178.15 179.50 1ubs h GLY 209 N -0.86 1.13 1.06 5.37 0.00 -1.39 0.16 103.07 108.54 1ubs h GLY 209 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1ubs h GLY 209 CO -0.13 0.69 0.44 0.83 0.00 0.00 0.00 176.54 178.36 1ubs h GLU 210 N 0.98 1.22 -0.11 4.80 5.08 -1.18 -0.62 114.58 124.75 1ubs h GLU 210 Ca 0.20 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1ubs h GLU 210 Cb 0.43 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ubs h GLU 210 CO 0.01 0.92 -0.45 0.93 -1.00 0.00 0.00 179.01 179.42 1ubs h GLU 211 N 1.22 0.50 -0.46 2.33 5.08 -0.67 -3.06 114.58 119.51 1ubs h GLU 211 Ca 0.30 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1ubs h GLU 211 Cb 0.08 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1ubs h GLU 211 CO -0.04 1.02 0.14 1.15 -1.00 0.00 0.00 179.01 180.28 1ubs h THR 212 N 0.09 0.82 -0.14 1.13 2.02 -0.72 0.12 112.91 116.23 1ubs h THR 212 Ca -0.03 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.09 1ubs h THR 212 Cb 1.09 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1ubs h THR 212 CO 0.09 0.05 -0.12 0.50 0.37 0.00 0.00 175.52 176.42 1ubs h LYS 213 N 0.30 -0.13 -0.77 6.66 3.64 -1.16 0.21 116.57 125.31 1ubs h LYS 213 Ca 0.22 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1ubs h LYS 213 Cb 0.24 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1ubs h LYS 213 CO -0.25 -0.09 0.37 0.00 -2.27 0.00 0.00 179.45 177.22 1ubs h ALA 214 N 0.95 1.00 -0.23 5.00 0.00 -1.39 -1.66 119.26 122.94 1ubs h ALA 214 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ubs h ALA 214 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ubs h ALA 214 CO -0.22 0.56 0.04 1.96 0.00 0.00 0.00 179.25 181.59 1ubs h GLN 215 N 1.09 0.38 -0.12 0.00 4.20 -0.13 -2.25 115.11 118.29 1ubs h GLN 215 Ca 0.27 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 1ubs h GLN 215 Cb 0.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ubs h GLN 215 CO -0.03 0.52 -0.49 0.97 -0.67 0.00 0.00 178.83 179.12 1ubs h ILE 216 N 0.18 1.34 -0.18 2.54 6.09 -0.50 -1.30 117.51 125.68 1ubs h ILE 216 Ca 0.07 -1.72 -0.09 0.00 -1.37 0.00 0.00 64.86 61.75 1ubs h ILE 216 Cb 0.32 1.79 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 1ubs h ILE 216 CO 0.00 0.52 -0.29 -0.07 -3.07 0.00 0.00 178.15 175.24 1ubs h LEU 217 N 0.24 0.35 -0.14 2.19 3.38 -1.23 0.29 115.31 120.39 1ubs h LEU 217 Ca 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ubs h LEU 217 Cb 0.96 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ubs h LEU 217 CO 0.08 0.63 -0.08 -0.78 0.09 0.00 0.00 178.44 178.38 1ubs h ASP 218 N 0.30 0.31 0.43 -0.43 3.58 -0.94 -0.58 116.42 119.08 1ubs h ASP 218 Ca 0.04 -0.43 -0.31 0.00 0.42 0.00 0.00 57.03 56.75 1ubs h ASP 218 Cb 0.67 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.65 1ubs h ASP 218 CO 0.05 0.68 -1.44 0.11 -2.88 0.00 0.00 179.24 175.75 1ubs h LYS 219 N -0.05 0.37 -0.00 0.28 1.57 -1.10 -3.39 116.57 114.24 1ubs h LYS 219 Ca 0.03 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1ubs h LYS 219 Cb 0.57 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1ubs h LYS 219 CO 0.02 1.28 -0.28 0.39 -0.57 0.00 0.00 179.45 180.29 1ubs n GLU 220 N -3.58 3.51 -1.39 3.15 -0.58 0.99 -5.00 120.64 117.75 1ubs n GLU 220 Ca -0.15 -0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.23 1ubs n GLU 220 Cb 1.06 -0.93 -0.06 0.00 -0.57 0.00 0.00 31.44 30.94 1ubs n GLU 220 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ubs n GLY 221 N 1.03 1.39 3.44 0.62 0.00 -0.23 -4.97 105.19 106.47 1ubs n GLY 221 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1ubs n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ubs s ARG 222 N -3.08 1.29 0.54 1.61 1.70 -1.26 -4.97 118.95 114.80 1ubs s ARG 222 Ca 0.00 -0.54 -0.16 0.00 -0.47 0.00 0.00 55.73 54.56 1ubs s ARG 222 Cb 0.00 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.89 1ubs s ARG 222 CO 0.00 -0.56 1.02 -0.51 -1.08 0.00 0.00 175.30 174.16 1ubs s LEU 223 N -2.77 3.58 0.84 -1.89 1.43 -1.26 -4.22 118.68 114.40 1ubs s LEU 223 Ca 0.02 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1ubs s LEU 223 Cb -0.01 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.79 1ubs s LEU 223 CO -0.11 -0.82 1.09 -2.16 0.23 0.00 0.00 176.35 174.58 1ubs s PRO 224 N -4.05 1.67 0.08 1.29 0.04 -1.26 -4.98 135.00 127.79 1ubs s PRO 224 Ca 0.61 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1ubs s PRO 224 Cb -0.12 -1.84 -0.27 0.00 0.04 0.00 0.00 34.50 32.30 1ubs s PRO 224 CO 0.33 -2.00 1.16 -0.44 0.04 0.00 0.00 177.00 176.10 1ubs h ASP 225 N -1.38 0.37 -4.97 6.66 3.32 -0.50 -3.41 116.42 116.51 1ubs h ASP 225 Ca -0.47 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.08 1ubs h ASP 225 Cb 1.26 -0.12 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 1ubs h ASP 225 CO 0.53 1.31 -0.14 0.00 -1.72 0.00 0.00 179.24 179.22 1ubs s ALA 226 N -2.67 -1.07 -0.08 3.45 0.00 -1.22 -0.95 121.76 119.21 1ubs s ALA 226 Ca -0.03 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1ubs s ALA 226 Cb 0.07 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1ubs s ALA 226 CO 0.88 -0.29 -0.19 0.14 0.00 0.00 0.00 175.76 176.29 1ubs s VAL 227 N -1.26 1.68 -0.02 0.00 -7.23 -0.62 -2.45 120.40 110.51 1ubs s VAL 227 Ca -0.13 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 59.32 1ubs s VAL 227 Cb -0.04 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 1ubs s VAL 227 CO 0.06 0.48 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.44 1ubs s ILE 228 N 0.46 2.00 -0.11 -0.62 1.01 -0.05 -1.60 121.20 122.28 1ubs s ILE 228 Ca -0.17 -1.09 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 1ubs s ILE 228 Cb -0.17 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1ubs s ILE 228 CO 0.07 0.56 0.48 0.00 0.00 0.00 0.00 174.94 176.04 1ubs s ALA 229 N -0.60 -1.21 0.69 9.38 0.00 -0.88 -1.46 121.76 127.68 1ubs s ALA 229 Ca 0.10 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 53.02 1ubs s ALA 229 Cb -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1ubs s ALA 229 CO -0.01 -0.27 1.08 0.00 0.00 0.00 0.00 175.76 176.57 1ubs s VAL 231 N -2.69 0.58 -0.13 0.00 1.01 0.70 -4.08 120.40 115.80 1ubs s VAL 231 Ca 0.63 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1ubs s VAL 231 Cb -0.17 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1ubs s VAL 231 CO 0.48 -0.28 -0.28 0.61 0.00 0.00 0.00 175.10 175.63 1ubs n GLY 232 N 5.02 -0.45 0.00 4.51 0.00 -1.26 -4.45 105.19 108.56 1ubs n GLY 232 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ubs n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubs n GLY 233 N 1.84 0.37 0.00 -0.02 0.00 -1.26 -4.42 105.19 101.69 1ubs n GLY 233 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ubs n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubs n GLY 234 N 1.43 0.98 0.18 -0.02 0.00 -1.26 -0.54 105.19 105.95 1ubs n GLY 234 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ubs n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ubs h SER 235 N 0.00 0.83 -0.63 1.61 4.64 -1.90 0.08 113.55 118.18 1ubs h SER 235 Ca 0.00 -0.72 -0.09 0.00 -0.47 0.00 0.00 61.79 60.51 1ubs h SER 235 Cb 0.00 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1ubs h SER 235 CO 0.00 1.52 0.05 -0.55 -0.87 0.00 0.00 176.83 176.99 1ubs h ASN 236 N 0.31 1.04 0.33 4.97 7.08 -1.97 0.41 115.58 127.75 1ubs h ASN 236 Ca -0.15 -0.28 -0.02 0.00 -3.08 0.00 0.00 56.30 52.77 1ubs h ASN 236 Cb 1.79 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 37.76 1ubs h ASN 236 CO 0.22 1.07 -0.16 0.00 -2.08 0.00 0.00 177.43 176.47 1ubs h ALA 237 N 1.01 -0.44 0.00 4.14 0.00 -1.71 0.16 119.26 122.43 1ubs h ALA 237 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ubs h ALA 237 Cb 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ubs h ALA 237 CO 0.02 -0.71 -0.29 0.97 0.00 0.00 0.00 179.25 179.25 1ubs h ILE 238 N -0.51 0.96 -0.39 0.00 6.09 -0.77 0.11 117.51 123.00 1ubs h ILE 238 Ca -0.04 -1.07 -0.09 0.00 -1.37 0.00 0.00 64.86 62.28 1ubs h ILE 238 Cb 0.38 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 39.28 1ubs h ILE 238 CO 0.07 0.28 -0.12 1.23 -3.07 0.00 0.00 178.15 176.54 1ubs h GLY 239 N 1.23 0.75 0.61 8.18 0.00 0.47 -1.82 103.07 112.50 1ubs h GLY 239 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1ubs h GLY 239 CO 0.04 0.52 -0.01 1.98 0.00 0.00 0.00 176.54 179.06 1ubs h MET 240 N 0.63 -0.03 -0.17 4.80 1.85 -0.33 -2.53 114.93 119.14 1ubs h MET 240 Ca 0.11 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.09 1ubs h MET 240 Cb 0.57 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 1ubs h MET 240 CO 0.04 0.35 -0.38 0.74 -0.40 0.00 0.00 176.91 177.25 1ubs h PHE 241 N -0.43 0.45 -0.93 1.39 0.04 -0.75 -3.36 116.94 113.35 1ubs h PHE 241 Ca -0.00 -0.12 0.11 0.00 2.80 0.00 0.00 57.97 60.76 1ubs h PHE 241 Cb 0.40 -0.10 -0.13 0.00 2.20 0.00 0.00 35.95 38.32 1ubs h PHE 241 CO 0.06 0.72 -0.46 0.00 -0.60 0.00 0.00 178.31 178.03 1ubs n ALA 242 N -2.49 -0.36 0.36 2.45 0.00 -0.69 0.08 120.51 119.88 1ubs n ALA 242 Ca -0.01 0.86 0.11 0.00 0.00 0.00 0.00 53.44 54.39 1ubs n ALA 242 Cb 0.48 -0.27 0.46 0.00 0.00 0.00 0.00 19.45 20.12 1ubs n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ubs n ASP 243 N -5.26 0.54 0.00 0.00 2.03 -1.26 -2.99 116.55 109.61 1ubs n ASP 243 Ca 0.06 0.65 0.11 0.00 0.52 0.00 0.00 54.79 56.12 1ubs n ASP 243 Cb 0.31 -0.76 -0.07 0.00 -0.72 0.00 0.00 41.12 39.88 1ubs n ASP 243 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1ubs n PHE 244 N -2.12 0.05 -0.31 -0.67 3.72 0.11 -4.58 117.46 113.66 1ubs n PHE 244 Ca 0.02 0.01 0.16 0.00 -0.05 0.00 0.00 57.45 57.59 1ubs n PHE 244 Cb 0.19 -0.19 0.34 0.00 -0.94 0.00 0.00 39.48 38.88 1ubs n PHE 244 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1ubs h ILE 245 N 0.00 0.38 0.00 4.37 2.04 -1.39 0.90 117.51 123.81 1ubs h ILE 245 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1ubs h ILE 245 Cb 0.62 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ubs h ILE 245 CO 0.00 0.06 -0.14 0.59 0.00 0.00 0.00 178.15 178.66 1ubs n ASN 246 N -5.10 0.18 -4.44 1.72 3.02 -1.26 -4.36 115.26 105.02 1ubs n ASN 246 Ca 0.24 0.31 -0.44 0.00 -0.03 0.00 0.00 54.58 54.66 1ubs n ASN 246 Cb 0.74 -0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 1ubs n ASN 246 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ubs s ASP 247 N -3.10 6.88 0.63 6.41 1.01 0.31 -4.87 116.67 123.94 1ubs s ASP 247 Ca 0.13 -2.62 0.37 0.00 0.71 0.00 0.00 52.55 51.14 1ubs s ASP 247 Cb 0.18 -2.37 2.12 0.00 1.01 0.00 0.00 42.92 43.86 1ubs s ASP 247 CO 0.58 -0.82 2.31 0.71 0.21 0.00 0.00 175.17 178.16 1ubs h THR 248 N 5.08 0.27 0.00 -1.27 1.35 -1.77 -2.05 112.91 114.52 1ubs h THR 248 Ca 0.22 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 66.03 1ubs h THR 248 Cb 0.95 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1ubs h THR 248 CO 1.12 0.00 -0.17 0.77 -0.25 0.00 0.00 175.52 176.99 1ubs h SER 249 N 0.00 0.00 -3.31 5.36 4.64 -1.93 -3.43 113.55 114.89 1ubs h SER 249 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1ubs h SER 249 Cb 0.01 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 1ubs h SER 249 CO 0.00 0.17 0.38 -0.69 -0.87 0.00 0.00 176.83 175.82 1ubs s VAL 250 N -3.88 4.89 0.37 0.95 1.01 -0.77 -4.88 120.40 118.09 1ubs s VAL 250 Ca -0.01 1.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 1ubs s VAL 250 Cb 0.11 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1ubs s VAL 250 CO 0.61 0.05 1.01 -0.83 0.00 0.00 0.00 175.10 175.94 1ubs s GLY 251 N 1.12 2.76 -0.21 4.51 0.00 -0.13 -4.93 107.32 110.44 1ubs s GLY 251 Ca 0.39 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.77 1ubs s GLY 251 CO 0.14 1.07 -0.15 1.08 0.00 0.00 0.00 173.10 175.24 1ubs s LEU 252 N -2.38 2.68 -0.12 0.66 1.43 -1.26 -1.58 118.68 118.10 1ubs s LEU 252 Ca 0.54 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1ubs s LEU 252 Cb -0.21 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1ubs s LEU 252 CO 0.26 -0.10 -0.21 -0.63 0.23 0.00 0.00 176.35 175.91 1ubs s ILE 253 N 1.23 2.25 0.01 -0.59 1.01 -0.63 -1.43 121.20 123.05 1ubs s ILE 253 Ca -0.02 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1ubs s ILE 253 Cb -0.16 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1ubs s ILE 253 CO -0.09 0.55 -0.16 -0.83 0.00 0.00 0.00 174.94 174.41 1ubs s GLY 254 N 0.56 1.57 -0.18 6.18 0.00 -0.32 -2.07 107.32 113.06 1ubs s GLY 254 Ca -0.12 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1ubs s GLY 254 CO 0.04 -0.98 -0.20 0.14 0.00 0.00 0.00 173.10 172.10 1ubs s VAL 255 N -0.88 2.07 0.17 1.40 1.01 -0.68 -1.25 120.40 122.24 1ubs s VAL 255 Ca 0.14 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1ubs s VAL 255 Cb -0.11 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1ubs s VAL 255 CO 0.04 0.54 0.29 -1.61 0.00 0.00 0.00 175.10 174.36 1ubs s GLU 256 N 1.28 3.41 -0.04 2.72 2.02 0.08 -0.21 118.70 127.95 1ubs s GLU 256 Ca 0.05 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 1ubs s GLU 256 Cb -0.13 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1ubs s GLU 256 CO -0.13 0.50 1.33 -1.25 0.02 0.00 0.00 175.26 175.74 1ubs s PRO 257 N -3.38 4.29 0.08 0.39 0.04 -1.26 -2.15 135.00 133.01 1ubs s PRO 257 Ca 0.34 1.84 0.25 0.00 0.04 0.00 0.00 61.00 63.48 1ubs s PRO 257 Cb -0.11 -3.62 0.50 0.00 0.04 0.00 0.00 34.50 31.32 1ubs s PRO 257 CO 0.28 -0.57 1.43 0.41 0.04 0.00 0.00 177.00 178.60 1ubs n GLY 258 N 3.58 -1.40 7.00 0.56 0.00 0.68 -1.51 105.19 114.11 1ubs n GLY 258 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1ubs n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubs n GLY 259 N 1.40 3.28 0.00 -0.02 0.00 -1.26 0.13 105.19 108.73 1ubs n GLY 259 Ca 0.04 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1ubs n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ubs n HIS 260 N 13.96 0.00 0.00 1.61 8.25 -0.46 -0.91 115.22 137.67 1ubs n HIS 260 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ubs n HIS 260 Cb 0.00 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.90 1ubs n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ubs n GLY 261 N 0.37 3.86 0.29 -1.41 0.00 0.12 -4.80 105.19 103.62 1ubs n GLY 261 Ca 0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 1ubs n GLY 261 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ubs h ILE 262 N 0.00 0.28 -0.95 -0.61 1.08 -1.88 -1.40 117.51 114.02 1ubs h ILE 262 Ca 0.00 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.75 1ubs h ILE 262 Cb 0.00 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 33.99 1ubs h ILE 262 CO 0.00 0.00 0.75 1.05 -0.69 0.00 0.00 178.15 179.26 1ubs h GLU 263 N -0.07 0.00 0.00 2.37 9.09 -1.93 0.45 114.58 124.49 1ubs h GLU 263 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1ubs h GLU 263 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 1ubs h GLU 263 CO -0.68 0.00 0.00 0.25 0.05 0.00 0.00 179.01 178.63 1ubs n THR 264 N -4.06 0.58 0.00 -1.06 -2.24 -0.53 -4.91 114.28 102.06 1ubs n THR 264 Ca 0.20 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ubs n THR 264 Cb 1.07 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1ubs n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubs n GLY 265 N 1.31 2.87 3.33 3.38 0.00 0.16 -4.94 105.19 111.29 1ubs n GLY 265 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1ubs n GLY 265 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubs s GLU 266 N -0.06 3.94 0.05 1.61 2.02 -1.26 -4.94 118.70 120.06 1ubs s GLU 266 Ca 0.00 -2.90 0.00 0.00 0.02 0.00 0.00 54.97 52.09 1ubs s GLU 266 Cb 0.00 -4.50 -0.00 0.00 0.10 0.00 0.00 34.13 29.73 1ubs s GLU 266 CO 0.00 -1.26 0.06 -2.39 0.02 0.00 0.00 175.26 171.69 1ubs n HIS 267 N 3.23 -0.46 -2.69 1.61 1.44 -1.26 -1.35 115.22 115.74 1ubs n HIS 267 Ca 0.20 -0.35 -0.07 0.00 -2.01 0.00 0.00 57.72 55.48 1ubs n HIS 267 Cb 0.42 0.07 0.06 0.00 0.12 0.00 0.00 29.99 30.66 1ubs n HIS 267 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ubs n GLY 268 N -0.08 1.52 2.50 -1.39 0.00 -0.57 -0.61 105.19 106.57 1ubs n GLY 268 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 1ubs n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubs n ALA 269 N -0.31 3.96 -0.14 4.61 0.00 -1.21 -4.03 120.51 123.39 1ubs n ALA 269 Ca 0.05 -4.73 -0.09 0.00 0.00 0.00 0.00 53.44 48.66 1ubs n ALA 269 Cb 0.83 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 19.40 1ubs n ALA 269 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ubs h PRO 270 N 4.38 0.93 -1.00 0.00 0.13 -1.88 0.12 132.00 134.69 1ubs h PRO 270 Ca 0.19 -0.36 0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1ubs h PRO 270 Cb 0.68 -0.05 -0.09 0.00 0.13 0.00 0.00 31.00 31.67 1ubs h PRO 270 CO 0.82 1.02 0.63 1.25 -0.23 0.00 0.00 178.00 181.49 1ubs h LEU 271 N 0.82 0.91 0.00 1.56 5.85 -1.90 0.20 115.31 122.75 1ubs h LEU 271 Ca 0.12 0.05 -0.32 0.00 0.84 0.00 0.00 57.88 58.57 1ubs h LEU 271 Cb 0.71 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1ubs h LEU 271 CO 0.05 0.46 -2.22 0.29 -0.34 0.00 0.00 178.44 176.69 1ubs n LYS 272 N -4.63 1.10 -0.25 1.25 4.76 -1.19 -4.69 118.16 114.50 1ubs n LYS 272 Ca 0.19 -0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.71 1ubs n LYS 272 Cb 0.38 -1.46 0.15 0.00 -1.84 0.00 0.00 35.03 32.27 1ubs n LYS 272 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ubs n HIS 273 N -2.66 0.00 -4.28 2.13 8.25 0.40 -5.06 115.22 114.01 1ubs n HIS 273 Ca -0.29 -1.10 -0.14 0.00 -0.26 0.00 0.00 57.72 55.94 1ubs n HIS 273 Cb 1.08 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.98 1ubs n HIS 273 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ubs n GLY 274 N -1.27 3.68 3.45 -1.41 0.00 0.71 -4.79 105.19 105.56 1ubs n GLY 274 Ca 0.16 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1ubs n GLY 274 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubs s ARG 275 N -2.83 1.85 0.38 1.61 0.52 -0.89 -4.77 118.95 114.82 1ubs s ARG 275 Ca 0.09 -1.12 -0.27 0.00 -0.52 0.00 0.00 55.73 53.91 1ubs s ARG 275 Cb 0.00 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 1ubs s ARG 275 CO 0.07 0.50 1.35 0.54 0.02 0.00 0.00 175.30 177.78 1ubs s VAL 276 N -1.01 2.50 0.17 3.52 0.11 -1.26 -1.65 120.40 122.78 1ubs s VAL 276 Ca 0.15 0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 59.65 1ubs s VAL 276 Cb -0.10 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1ubs s VAL 276 CO 0.07 0.10 0.29 0.61 -3.33 0.00 0.00 175.10 172.84 1ubs n GLY 277 N 0.67 2.11 2.97 6.54 0.00 -0.62 -4.87 105.19 111.99 1ubs n GLY 277 Ca 0.02 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1ubs n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubs s ILE 278 N -2.60 1.26 -0.19 -0.61 1.01 -1.26 -2.14 121.20 116.66 1ubs s ILE 278 Ca 0.10 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 59.99 1ubs s ILE 278 Cb -0.01 -1.21 0.15 0.00 0.01 0.00 0.00 42.46 41.40 1ubs s ILE 278 CO 0.08 0.40 1.15 -0.47 0.00 0.00 0.00 174.94 176.09 1ubs s TYR 279 N 1.40 -0.21 -1.53 3.97 5.04 -0.17 -4.95 117.35 120.90 1ubs s TYR 279 Ca 0.01 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 54.89 1ubs s TYR 279 Cb -0.13 0.48 0.01 0.00 0.35 0.00 0.00 41.96 42.67 1ubs s TYR 279 CO -0.06 -0.23 0.59 0.34 -1.34 0.00 0.00 175.55 174.85 1ubs n PHE 280 N 0.41 -1.95 -1.05 4.97 7.35 -1.26 -1.79 117.46 124.13 1ubs n PHE 280 Ca -0.05 0.51 -0.02 0.00 -0.76 0.00 0.00 57.45 57.14 1ubs n PHE 280 Cb 0.59 -4.34 -0.01 0.00 0.35 0.00 0.00 39.48 36.07 1ubs n PHE 280 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ubs n GLY 281 N -1.49 0.46 3.16 7.13 0.00 -1.21 -3.66 105.19 109.57 1ubs n GLY 281 Ca -0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1ubs n GLY 281 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ubs s MET 282 N -1.18 0.75 -0.38 1.61 0.23 -0.74 -0.77 119.30 118.83 1ubs s MET 282 Ca 0.00 -1.06 -0.11 0.00 -1.03 0.00 0.00 55.69 53.49 1ubs s MET 282 Cb 0.00 0.29 0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1ubs s MET 282 CO 0.00 -0.20 0.21 0.21 -2.03 0.00 0.00 175.02 173.21 1ubs s LYS 283 N -3.86 2.83 0.21 3.16 2.47 0.43 -0.99 119.74 123.99 1ubs s LYS 283 Ca 0.06 -1.08 -0.22 0.00 -1.56 0.00 0.00 55.97 53.17 1ubs s LYS 283 Cb 0.06 -3.75 0.06 0.00 -1.46 0.00 0.00 37.83 32.75 1ubs s LYS 283 CO -0.11 -0.70 0.93 0.00 0.16 0.00 0.00 175.35 175.64 1ubs s ALA 284 N 1.56 -1.44 0.31 3.13 0.00 -0.91 -1.09 121.76 123.32 1ubs s ALA 284 Ca 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1ubs s ALA 284 Cb -0.19 0.70 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 1ubs s ALA 284 CO 0.07 -1.04 1.40 -2.14 0.00 0.00 0.00 175.76 174.04 1ubs s PRO 285 N -2.85 4.27 0.22 0.00 0.02 -1.26 -1.58 135.00 133.82 1ubs s PRO 285 Ca 0.16 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 1ubs s PRO 285 Cb -0.03 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 1ubs s PRO 285 CO 0.05 -0.35 0.37 0.00 -0.33 0.00 0.00 177.00 176.75 1ubs s MET 286 N -1.32 1.39 -0.44 5.54 0.23 -0.66 -3.70 119.30 120.35 1ubs s MET 286 Ca 0.54 -1.28 -0.25 0.00 -1.03 0.00 0.00 55.69 53.67 1ubs s MET 286 Cb -0.42 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.32 1ubs s MET 286 CO 0.51 -0.54 0.88 -1.64 -2.03 0.00 0.00 175.02 172.20 1ubs s MET 287 N -4.02 3.56 0.09 3.16 -1.94 -0.43 -2.11 119.30 117.61 1ubs s MET 287 Ca 0.23 0.16 -0.11 0.00 -1.71 0.00 0.00 55.69 54.27 1ubs s MET 287 Cb 0.02 -3.90 0.01 0.00 2.01 0.00 0.00 34.83 32.96 1ubs s MET 287 CO 0.07 -1.13 0.24 1.14 -0.01 0.00 0.00 175.02 175.33 1ubs s GLN 288 N 3.56 0.87 0.90 2.03 -2.07 -1.26 0.30 119.66 123.99 1ubs s GLN 288 Ca 0.35 -0.83 -0.12 0.00 -1.82 0.00 0.00 55.36 52.94 1ubs s GLN 288 Cb -0.11 0.36 0.13 0.00 -1.09 0.00 0.00 33.01 32.31 1ubs s GLN 288 CO 0.24 -0.29 1.14 0.95 -1.32 0.00 0.00 175.29 176.01 1ubs s THR 289 N -3.58 2.05 0.44 3.63 -4.23 -0.30 -4.90 115.64 108.75 1ubs s THR 289 Ca 0.02 0.01 0.27 0.00 -1.18 0.00 0.00 61.69 60.82 1ubs s THR 289 Cb 0.03 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.40 1ubs s THR 289 CO -0.10 -0.02 2.10 0.00 -0.54 0.00 0.00 174.62 176.06 1ubs h ALA 290 N -1.46 1.33 -0.52 3.99 0.00 -2.02 -1.84 119.26 118.73 1ubs h ALA 290 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ubs h ALA 290 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ubs h ALA 290 CO 0.62 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 1ubs n ASP 291 N -3.69 5.32 -0.08 0.00 5.68 -1.26 -4.95 116.55 117.57 1ubs n ASP 291 Ca -0.02 -2.85 -0.01 0.00 -0.50 0.00 0.00 54.79 51.41 1ubs n ASP 291 Cb 0.21 -0.67 -0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1ubs n ASP 291 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ubs n GLY 292 N 0.57 0.45 3.76 6.12 0.00 -0.69 -5.05 105.19 110.34 1ubs n GLY 292 Ca 0.25 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 1ubs n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubs s GLN 293 N -2.21 4.39 0.31 1.61 -1.52 -1.26 -4.83 119.66 116.15 1ubs s GLN 293 Ca 0.00 0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 54.01 1ubs s GLN 293 Cb 0.00 -3.33 -0.10 0.00 -0.22 0.00 0.00 33.01 29.36 1ubs s GLN 293 CO 0.00 0.39 1.16 0.42 -0.25 0.00 0.00 175.29 177.00 1ubs s ILE 294 N -0.32 3.26 0.34 1.08 -1.09 -1.26 -1.14 121.20 122.06 1ubs s ILE 294 Ca 0.34 1.23 0.10 0.00 -2.23 0.00 0.00 60.65 60.08 1ubs s ILE 294 Cb -0.20 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 1ubs s ILE 294 CO 0.20 0.27 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.47 1ubs s GLU 295 N -1.68 1.83 0.40 2.79 2.02 0.15 -4.89 118.70 119.33 1ubs s GLU 295 Ca 0.48 -1.92 -0.09 0.00 0.02 0.00 0.00 54.97 53.46 1ubs s GLU 295 Cb -0.33 -1.72 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 1ubs s GLU 295 CO 0.43 0.15 0.75 -1.21 0.02 0.00 0.00 175.26 175.40 1ubs s GLU 296 N -3.61 3.73 -0.09 1.61 2.02 -1.26 -4.60 118.70 116.50 1ubs s GLU 296 Ca 0.33 0.38 -0.20 0.00 0.02 0.00 0.00 54.97 55.49 1ubs s GLU 296 Cb 0.02 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 1ubs s GLU 296 CO 0.17 -0.03 0.57 -1.12 0.02 0.00 0.00 175.26 174.86 1ubs s SER 297 N -3.29 6.82 -0.10 -0.19 0.01 -1.26 -4.94 113.70 110.75 1ubs s SER 297 Ca 0.50 0.98 -0.03 0.00 1.31 0.00 0.00 55.95 58.72 1ubs s SER 297 Cb -0.10 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1ubs s SER 297 CO 0.33 -0.03 0.01 -0.47 0.41 0.00 0.00 173.24 173.49 1ubs s TYR 298 N 0.58 3.17 -0.14 2.43 5.04 0.22 -4.80 117.35 123.86 1ubs s TYR 298 Ca 0.31 0.15 -0.30 0.00 -2.44 0.00 0.00 57.07 54.78 1ubs s TYR 298 Cb -0.16 -1.83 0.12 0.00 0.35 0.00 0.00 41.96 40.43 1ubs s TYR 298 CO 0.14 0.40 0.95 0.45 -1.34 0.00 0.00 175.55 176.15 1ubs s SER 299 N -0.67 -0.41 0.27 4.32 0.15 -1.26 -2.53 113.70 113.57 1ubs s SER 299 Ca 0.11 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.23 1ubs s SER 299 Cb -0.12 0.34 0.36 0.00 -1.71 0.00 0.00 66.02 64.89 1ubs s SER 299 CO 0.02 -0.38 1.66 -0.29 1.20 0.00 0.00 173.24 175.45 1ubs h ILE 300 N 2.61 1.30 -3.18 6.45 2.10 -1.95 -3.40 117.51 121.43 1ubs h ILE 300 Ca -0.19 -1.50 -0.58 0.00 1.08 0.00 0.00 64.86 63.67 1ubs h ILE 300 Cb 1.16 1.58 -0.06 0.00 -1.09 0.00 0.00 36.82 38.41 1ubs h ILE 300 CO 0.32 0.46 0.65 -0.94 -1.08 0.00 0.00 178.15 177.56 1ubs s SER 301 N -6.86 7.08 0.40 2.19 1.04 -1.26 -4.96 113.70 111.33 1ubs s SER 301 Ca -0.06 1.34 0.06 0.00 0.48 0.00 0.00 55.95 57.77 1ubs s SER 301 Cb 0.13 -2.52 0.81 0.00 0.10 0.00 0.00 66.02 64.54 1ubs s SER 301 CO 0.79 -0.56 2.05 0.00 0.98 0.00 0.00 173.24 176.50 1ubs h ALA 302 N 7.39 1.67 -0.02 5.32 0.00 -1.97 -3.15 119.26 128.50 1ubs h ALA 302 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ubs h ALA 302 Cb 1.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ubs h ALA 302 CO 0.92 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1ubs n GLY 303 N -1.47 -0.51 1.99 0.00 0.00 -1.26 -3.75 105.19 100.19 1ubs n GLY 303 Ca 0.04 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1ubs n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ubs n LEU 304 N -0.42 5.87 -0.28 0.99 4.77 -1.19 -4.71 117.00 122.03 1ubs n LEU 304 Ca 0.21 -4.37 0.14 0.00 -0.03 0.00 0.00 56.01 51.95 1ubs n LEU 304 Cb 0.22 -0.65 0.49 0.00 -2.33 0.00 0.00 43.42 41.15 1ubs n LEU 304 CO 0.17 1.69 0.78 -0.90 -1.33 0.00 0.00 177.39 177.79 1ubs n ASP 305 N -0.88 1.01 -4.67 -1.43 5.75 -1.25 -4.84 116.55 110.25 1ubs n ASP 305 Ca 0.50 -1.01 -0.43 0.00 -0.01 0.00 0.00 54.79 53.84 1ubs n ASP 305 Cb 0.90 0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 41.01 1ubs n ASP 305 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ubs s PHE 306 N -2.33 2.62 -1.94 2.11 5.36 -1.26 -4.21 117.98 118.32 1ubs s PHE 306 Ca 0.30 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1ubs s PHE 306 Cb 0.20 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 1ubs s PHE 306 CO 0.45 -2.43 0.63 -0.35 -1.46 0.00 0.00 175.22 172.06 1ubs n PRO 307 N 6.46 0.65 -0.22 10.12 -0.04 -1.26 -4.70 135.00 146.01 1ubs n PRO 307 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ubs n PRO 307 Cb 0.44 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1ubs n PRO 307 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ubs n SER 308 N -0.46 0.00 -3.62 3.54 2.88 -1.26 -1.31 113.62 113.39 1ubs n SER 308 Ca 0.00 -0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 1ubs n SER 308 Cb 0.01 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 1ubs n SER 308 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ubs s VAL 309 N -1.24 0.05 0.51 2.46 0.11 -1.24 -4.66 120.40 116.40 1ubs s VAL 309 Ca 0.00 -0.45 -0.22 0.00 -2.93 0.00 0.00 61.98 58.38 1ubs s VAL 309 Cb 0.00 -1.05 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1ubs s VAL 309 CO 0.00 -0.25 1.25 -0.83 -3.33 0.00 0.00 175.10 171.94 1ubs s GLY 310 N -2.39 2.82 0.48 6.54 0.00 0.29 -4.72 107.32 110.35 1ubs s GLY 310 Ca -0.01 1.11 0.23 0.00 0.00 0.00 0.00 44.72 46.05 1ubs s GLY 310 CO -0.07 1.59 2.00 -0.56 0.00 0.00 0.00 173.10 176.06 1ubs h PRO 311 N 1.64 0.00 0.00 2.90 0.13 -1.89 -1.84 132.00 132.94 1ubs h PRO 311 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1ubs h PRO 311 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ubs h PRO 311 CO 0.58 0.18 -0.09 0.37 -0.23 0.00 0.00 178.00 178.81 1ubs h GLN 312 N 0.00 0.00 0.03 0.86 4.15 -1.91 -1.23 115.11 117.01 1ubs h GLN 312 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1ubs h GLN 312 Cb 0.42 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.12 1ubs h GLN 312 CO 0.02 0.09 -0.24 0.45 -1.93 0.00 0.00 178.83 177.22 1ubs h HIS 313 N 0.00 0.19 -0.99 3.99 3.86 -1.71 -0.62 115.15 119.87 1ubs h HIS 313 Ca -0.00 -0.12 0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1ubs h HIS 313 Cb 0.66 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.05 1ubs h HIS 313 CO 0.00 1.02 0.64 0.00 0.86 0.00 0.00 177.93 180.45 1ubs h ALA 314 N 0.12 1.35 -0.16 2.45 0.00 -1.39 -1.55 119.26 120.08 1ubs h ALA 314 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ubs h ALA 314 Cb 1.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ubs h ALA 314 CO 0.05 0.46 -0.07 -0.92 0.00 0.00 0.00 179.25 178.76 1ubs h TYR 315 N 1.18 0.38 -0.34 0.00 3.20 -1.22 -2.65 116.97 117.53 1ubs h TYR 315 Ca 0.42 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 1ubs h TYR 315 Cb 0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1ubs h TYR 315 CO -0.00 0.64 0.12 -0.07 -1.64 0.00 0.00 178.16 177.21 1ubs h LEU 316 N 0.02 0.43 0.63 2.82 3.38 -0.68 -2.50 115.31 119.40 1ubs h LEU 316 Ca 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ubs h LEU 316 Cb 0.53 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ubs h LEU 316 CO 0.02 0.41 -0.30 -1.13 0.09 0.00 0.00 178.44 177.53 1ubs h ASN 317 N 0.48 -0.71 -0.85 -0.43 -0.00 -1.28 -0.90 115.58 111.88 1ubs h ASN 317 Ca 0.12 -0.01 0.22 0.00 -0.00 0.00 0.00 56.30 56.62 1ubs h ASN 317 Cb 0.12 0.18 -0.13 0.00 -0.00 0.00 0.00 38.32 38.49 1ubs h ASN 317 CO -0.01 -0.34 0.24 -1.28 -0.00 0.00 0.00 177.43 176.04 1ubs h SER 318 N -1.13 0.04 -0.11 1.15 0.87 -1.32 1.15 113.55 114.21 1ubs h SER 318 Ca -0.09 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1ubs h SER 318 Cb 0.68 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ubs h SER 318 CO 0.14 -0.11 0.00 2.30 -0.53 0.00 0.00 176.83 178.63 1ubs n ILE 319 N -5.19 0.14 -1.17 2.23 -5.35 -0.95 -4.91 119.36 104.16 1ubs n ILE 319 Ca 0.20 -0.19 -0.06 0.00 -0.27 0.00 0.00 62.75 62.43 1ubs n ILE 319 Cb 0.63 0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.57 1ubs n ILE 319 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ubs n GLY 320 N 0.92 0.79 0.06 3.28 0.00 0.40 -4.91 105.19 105.73 1ubs n GLY 320 Ca 0.13 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1ubs n GLY 320 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ubs h ARG 321 N 0.20 0.01 -4.70 1.61 9.65 -1.36 -3.46 114.38 116.32 1ubs h ARG 321 Ca -0.12 -0.02 -0.30 0.00 -1.10 0.00 0.00 59.98 58.45 1ubs h ARG 321 Cb 0.50 0.01 -0.21 0.00 -1.39 0.00 0.00 29.97 28.88 1ubs h ARG 321 CO 0.17 0.99 -0.74 0.00 2.80 0.00 0.00 179.97 183.19 1ubs s ALA 322 N -2.70 0.69 -0.02 2.80 0.00 -1.00 -4.42 121.76 117.11 1ubs s ALA 322 Ca 0.01 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1ubs s ALA 322 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1ubs s ALA 322 CO 0.82 0.01 -0.08 -0.51 0.00 0.00 0.00 175.76 176.00 1ubs s ASP 323 N -1.65 4.56 -0.04 0.00 1.01 -0.51 -4.10 116.67 115.94 1ubs s ASP 323 Ca -0.08 -0.12 0.06 0.00 0.71 0.00 0.00 52.55 53.12 1ubs s ASP 323 Cb -0.10 -1.07 -0.01 0.00 1.01 0.00 0.00 42.92 42.75 1ubs s ASP 323 CO 0.01 0.31 -0.22 -0.31 0.21 0.00 0.00 175.17 175.17 1ubs s TYR 324 N -0.92 2.10 0.23 4.23 1.51 -1.26 -1.18 117.35 122.06 1ubs s TYR 324 Ca 0.15 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1ubs s TYR 324 Cb -0.11 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 1ubs s TYR 324 CO 0.05 -0.14 0.05 0.14 -1.11 0.00 0.00 175.55 174.54 1ubs s VAL 325 N -0.24 0.72 0.15 0.71 -7.23 -0.38 -4.95 120.40 109.17 1ubs s VAL 325 Ca 0.01 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 1ubs s VAL 325 Cb -0.11 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1ubs s VAL 325 CO 0.02 -0.20 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.46 1ubs s SER 326 N -3.28 2.82 -0.04 4.85 1.04 -1.26 -0.74 113.70 117.09 1ubs s SER 326 Ca 0.32 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1ubs s SER 326 Cb 0.07 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.03 1ubs s SER 326 CO 0.10 0.04 -0.06 -0.63 0.98 0.00 0.00 173.24 173.67 1ubs s ILE 327 N -1.64 0.62 0.78 -1.02 -1.09 -0.92 -4.89 121.20 113.05 1ubs s ILE 327 Ca 0.14 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.27 1ubs s ILE 327 Cb -0.08 -0.61 0.10 0.00 -1.58 0.00 0.00 42.46 40.28 1ubs s ILE 327 CO 0.06 0.23 1.12 0.42 -1.23 0.00 0.00 174.94 175.55 1ubs s THR 328 N 0.75 2.13 0.13 2.92 -4.23 -1.26 -0.23 115.64 115.85 1ubs s THR 328 Ca -0.11 -0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.00 1ubs s THR 328 Cb -0.14 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1ubs s THR 328 CO 0.01 0.00 1.64 0.44 -0.54 0.00 0.00 174.62 176.17 1ubs h ASP 329 N -0.93 -0.69 -0.85 3.99 3.32 -1.34 -1.37 116.42 118.55 1ubs h ASP 329 Ca -0.44 0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.77 1ubs h ASP 329 Cb 1.30 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 41.09 1ubs h ASP 329 CO 0.57 -0.29 0.55 0.44 -1.72 0.00 0.00 179.24 178.79 1ubs h ASP 330 N -0.34 0.83 0.47 6.45 3.32 -1.94 -1.05 116.42 124.16 1ubs h ASP 330 Ca 0.08 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1ubs h ASP 330 Cb 0.44 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1ubs h ASP 330 CO -0.24 0.54 -0.68 -0.33 -1.72 0.00 0.00 179.24 176.80 1ubs h GLU 331 N 0.95 0.19 -0.15 3.56 5.08 -1.80 -2.77 114.58 119.64 1ubs h GLU 331 Ca 0.36 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1ubs h GLU 331 Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ubs h GLU 331 CO -0.13 0.80 -0.27 0.00 -1.00 0.00 0.00 179.01 178.40 1ubs h ALA 332 N 1.16 0.23 -0.96 3.43 0.00 -0.29 -2.52 119.26 120.30 1ubs h ALA 332 Ca -0.02 -0.40 0.11 0.00 0.00 0.00 0.00 54.91 54.61 1ubs h ALA 332 Cb 1.22 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1ubs h ALA 332 CO 0.10 0.23 0.59 -0.07 0.00 0.00 0.00 179.25 180.11 1ubs h LEU 333 N 0.06 0.87 -0.33 0.00 3.38 -1.23 -0.30 115.31 117.76 1ubs h LEU 333 Ca 0.01 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1ubs h LEU 333 Cb 0.86 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1ubs h LEU 333 CO 0.06 0.47 -0.27 -0.08 0.09 0.00 0.00 178.44 178.72 1ubs h GLU 334 N 0.95 0.76 0.00 1.13 4.22 -1.50 -2.08 114.58 118.06 1ubs h GLU 334 Ca 0.47 -0.38 -0.07 0.00 0.08 0.00 0.00 59.36 59.46 1ubs h GLU 334 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ubs h GLU 334 CO -0.26 1.00 -0.34 0.00 -2.18 0.00 0.00 179.01 177.23 1ubs h ALA 335 N 0.74 1.42 0.55 2.92 0.00 -0.97 -1.36 119.26 122.55 1ubs h ALA 335 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ubs h ALA 335 Cb 0.83 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ubs h ALA 335 CO 0.07 0.43 -0.26 0.35 0.00 0.00 0.00 179.25 179.83 1ubs h PHE 336 N 0.00 -0.69 -0.98 0.00 3.04 -0.79 -2.44 116.94 115.08 1ubs h PHE 336 Ca -0.00 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.98 1ubs h PHE 336 Cb 0.62 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.29 1ubs h PHE 336 CO 0.00 -0.36 0.64 0.87 -2.02 0.00 0.00 178.31 177.44 1ubs h LYS 337 N -0.96 1.15 -0.54 1.11 1.57 -1.23 -2.72 116.57 114.95 1ubs h LYS 337 Ca -0.08 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1ubs h LYS 337 Cb 0.63 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1ubs h LYS 337 CO 0.12 0.76 0.00 1.15 -0.57 0.00 0.00 179.45 180.92 1ubs h THR 338 N 1.18 1.26 -0.57 -0.16 2.02 -1.23 -2.09 112.91 113.33 1ubs h THR 338 Ca 0.41 -1.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1ubs h THR 338 Cb 0.10 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1ubs h THR 338 CO -0.15 0.39 0.09 0.25 0.37 0.00 0.00 175.52 176.47 1ubs h LEU 339 N 0.83 0.91 0.80 2.58 5.85 -1.28 -1.80 115.31 123.20 1ubs h LEU 339 Ca 0.15 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1ubs h LEU 339 Cb 0.53 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ubs h LEU 339 CO 0.03 0.94 -0.49 0.00 -0.34 0.00 0.00 178.44 178.58 1ubs h ARG 341 N -1.21 0.00 0.00 0.00 3.08 -1.43 -0.62 114.38 114.20 1ubs h ARG 341 Ca -0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1ubs h ARG 341 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1ubs h ARG 341 CO 0.11 0.20 -1.65 0.72 -1.07 0.00 0.00 179.97 178.28 1ubs n HIS 342 N -3.50 0.00 -0.22 3.04 8.25 -0.68 -4.68 115.22 117.43 1ubs n HIS 342 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1ubs n HIS 342 Cb 0.36 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1ubs n HIS 342 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ubs n GLU 343 N -2.02 1.71 -3.28 -0.41 -0.58 -0.28 -4.49 120.64 111.29 1ubs n GLU 343 Ca -0.04 -0.14 -0.17 0.00 -0.42 0.00 0.00 57.16 56.39 1ubs n GLU 343 Cb 0.40 -0.53 0.06 0.00 -0.57 0.00 0.00 31.44 30.80 1ubs n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ubs n GLY 344 N 0.28 -0.16 2.88 0.62 0.00 -0.24 -4.99 105.19 103.59 1ubs n GLY 344 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1ubs n GLY 344 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubs s ILE 345 N -3.24 0.73 -0.39 -0.61 1.01 -1.22 -5.00 121.20 112.48 1ubs s ILE 345 Ca 0.37 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.67 1ubs s ILE 345 Cb -0.16 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1ubs s ILE 345 CO 0.54 0.30 0.56 -0.63 0.00 0.00 0.00 174.94 175.71 1ubs s ILE 346 N 1.40 4.95 0.33 2.92 1.01 -1.26 -3.10 121.20 127.45 1ubs s ILE 346 Ca -0.02 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1ubs s ILE 346 Cb -0.13 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1ubs s ILE 346 CO -0.03 -0.37 0.59 -2.16 0.00 0.00 0.00 174.94 172.97 1ubs s PRO 347 N 2.52 3.60 0.41 2.79 0.04 -1.26 -1.73 135.00 141.37 1ubs s PRO 347 Ca 0.20 -0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.97 1ubs s PRO 347 Cb -0.15 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 1ubs s PRO 347 CO 0.15 0.15 1.25 0.00 0.04 0.00 0.00 177.00 178.59 1ubs s ALA 348 N -2.21 3.20 0.58 8.56 0.00 -0.57 -3.37 121.76 127.95 1ubs s ALA 348 Ca 0.44 1.13 0.28 0.00 0.00 0.00 0.00 51.96 53.81 1ubs s ALA 348 Cb -0.10 -3.45 1.51 0.00 0.00 0.00 0.00 23.12 21.08 1ubs s ALA 348 CO 0.33 -0.72 1.97 -0.07 0.00 0.00 0.00 175.76 177.27 1ubs h LEU 349 N 2.64 0.00 0.39 0.00 3.38 -1.91 -1.16 115.31 118.65 1ubs h LEU 349 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1ubs h LEU 349 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ubs h LEU 349 CO 0.62 0.00 -0.19 -0.33 0.09 0.00 0.00 178.44 178.63 1ubs h GLU 350 N 0.00 -0.51 0.00 1.13 3.07 -1.94 -3.06 114.58 113.27 1ubs h GLU 350 Ca 0.19 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1ubs h GLU 350 Cb 0.97 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1ubs h GLU 350 CO -0.00 -0.20 -0.05 0.77 -1.40 0.00 0.00 179.01 178.13 1ubs h SER 351 N -0.92 0.00 0.24 1.42 0.02 -1.71 -2.16 113.55 110.44 1ubs h SER 351 Ca -0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1ubs h SER 351 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1ubs h SER 351 CO 0.09 0.05 -0.04 0.28 -1.14 0.00 0.00 176.83 176.06 1ubs h SER 352 N 0.00 0.00 -0.14 3.07 0.02 -1.13 -1.63 113.55 113.74 1ubs h SER 352 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1ubs h SER 352 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1ubs h SER 352 CO 0.01 0.04 -0.27 0.45 -1.14 0.00 0.00 176.83 175.92 1ubs h HIS 353 N 0.00 0.54 -0.55 3.45 3.86 -1.43 0.22 115.15 121.24 1ubs h HIS 353 Ca -0.00 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 58.91 1ubs h HIS 353 Cb 0.18 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1ubs h HIS 353 CO 0.00 0.89 -0.07 0.00 0.86 0.00 0.00 177.93 179.62 1ubs h ALA 354 N 0.55 0.76 -0.27 2.45 0.00 -1.57 -2.39 119.26 118.79 1ubs h ALA 354 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ubs h ALA 354 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ubs h ALA 354 CO 0.06 0.64 0.05 1.25 0.00 0.00 0.00 179.25 181.25 1ubs h LEU 355 N 0.91 0.42 -0.96 0.00 5.85 -1.19 -2.59 115.31 117.75 1ubs h LEU 355 Ca 0.15 -0.26 0.19 0.00 0.84 0.00 0.00 57.88 58.80 1ubs h LEU 355 Cb 0.63 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 1ubs h LEU 355 CO 0.04 0.57 0.55 0.00 -0.34 0.00 0.00 178.44 179.26 1ubs h ALA 356 N 0.87 1.57 -0.32 1.25 0.00 -0.35 -1.86 119.26 120.42 1ubs h ALA 356 Ca 0.08 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ubs h ALA 356 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ubs h ALA 356 CO 0.00 -0.11 -0.13 1.25 0.00 0.00 0.00 179.25 180.27 1ubs h HIS 357 N 0.67 0.73 -0.12 0.00 -0.00 -1.23 -1.42 115.15 113.79 1ubs h HIS 357 Ca 0.56 -0.17 -0.06 0.00 -0.00 0.00 0.00 60.37 60.70 1ubs h HIS 357 Cb 0.90 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 1ubs h HIS 357 CO -0.04 0.85 -0.19 0.00 -0.00 0.00 0.00 177.93 178.55 1ubs h ALA 358 N 0.78 1.47 -0.43 5.26 0.00 -0.97 -1.55 119.26 123.83 1ubs h ALA 358 Ca 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1ubs h ALA 358 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ubs h ALA 358 CO 0.04 0.37 -0.18 -0.07 0.00 0.00 0.00 179.25 179.42 1ubs h LEU 359 N 0.18 0.90 -0.48 0.00 3.38 -1.27 -1.96 115.31 116.06 1ubs h LEU 359 Ca 0.03 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1ubs h LEU 359 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1ubs h LEU 359 CO 0.03 1.09 0.15 0.50 0.09 0.00 0.00 178.44 180.29 1ubs h LYS 360 N 0.70 0.75 -0.70 1.13 3.64 -0.59 -0.13 116.57 121.37 1ubs h LYS 360 Ca 0.10 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1ubs h LYS 360 Cb 0.73 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1ubs h LYS 360 CO 0.06 0.71 0.43 0.52 -2.27 0.00 0.00 179.45 178.90 1ubs h MET 361 N 0.64 0.79 0.12 1.90 2.86 -1.11 -1.77 114.93 118.36 1ubs h MET 361 Ca 0.15 -0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 57.47 1ubs h MET 361 Cb 0.28 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ubs h MET 361 CO -0.00 0.53 -1.22 0.00 1.06 0.00 0.00 176.91 177.28 1ubs h MET 362 N 0.82 0.32 -0.03 1.72 -0.00 -1.21 -3.18 114.93 113.37 1ubs h MET 362 Ca 0.29 -0.51 -0.11 0.00 -0.00 0.00 0.00 59.70 59.37 1ubs h MET 362 Cb 0.07 0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 1ubs h MET 362 CO -0.13 1.22 -0.50 0.00 -0.00 0.00 0.00 176.91 177.51 1ubs h ARG 363 N 0.11 0.07 0.04 -0.10 3.08 -0.75 -2.50 114.38 114.33 1ubs h ARG 363 Ca -0.14 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 1ubs h ARG 363 Cb 1.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 1ubs h ARG 363 CO 0.20 0.56 -1.01 0.93 -1.07 0.00 0.00 179.97 179.58 1ubs h GLU 364 N 0.06 0.21 -2.17 0.04 5.08 -1.44 -3.37 114.58 112.98 1ubs h GLU 364 Ca -0.00 -0.28 -0.58 0.00 -1.00 0.00 0.00 59.36 57.50 1ubs h GLU 364 Cb 0.90 0.09 -0.40 0.00 0.50 0.00 0.00 28.75 29.85 1ubs h GLU 364 CO 0.07 1.06 -0.90 1.04 -1.00 0.00 0.00 179.01 179.27 1ubs n GLN 365 N -3.58 1.26 0.26 2.33 6.02 -1.20 -4.96 117.38 117.51 1ubs n GLN 365 Ca -0.05 -3.73 0.18 0.00 -0.01 0.00 0.00 57.00 53.39 1ubs n GLN 365 Cb 0.89 -1.65 0.92 0.00 1.02 0.00 0.00 30.24 31.43 1ubs n GLN 365 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ubs h PRO 366 N 4.34 0.00 -0.45 -1.09 0.13 -1.62 -1.44 132.00 131.86 1ubs h PRO 366 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ubs h PRO 366 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ubs h PRO 366 CO 0.58 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.74 1ubs n GLU 367 N -3.57 2.55 -3.10 0.86 -0.58 -1.26 -1.85 120.64 113.69 1ubs n GLU 367 Ca -0.01 -2.37 -0.40 0.00 -0.42 0.00 0.00 57.16 53.97 1ubs n GLU 367 Cb 0.23 -1.53 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 1ubs n GLU 367 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ubs s LYS 368 N -1.40 4.35 -0.26 3.49 2.20 -0.55 -4.85 119.74 122.73 1ubs s LYS 368 Ca 0.41 0.75 -0.27 0.00 -0.36 0.00 0.00 55.97 56.50 1ubs s LYS 368 Cb 0.23 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1ubs s LYS 368 CO 0.32 -0.03 0.95 -2.00 -0.36 0.00 0.00 175.35 174.24 1ubs s GLU 369 N 1.16 4.17 -0.18 4.03 2.12 -1.26 -3.97 118.70 124.77 1ubs s GLU 369 Ca 0.33 1.10 -0.18 0.00 0.36 0.00 0.00 54.97 56.58 1ubs s GLU 369 Cb -0.17 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.61 1ubs s GLU 369 CO 0.14 -0.65 0.52 1.14 -0.54 0.00 0.00 175.26 175.87 1ubs s GLN 370 N 3.14 0.62 -0.53 4.30 -2.07 -1.01 -4.98 119.66 119.14 1ubs s GLN 370 Ca 0.40 0.67 -0.15 0.00 -1.82 0.00 0.00 55.36 54.46 1ubs s GLN 370 Cb -0.14 0.30 0.13 0.00 -1.09 0.00 0.00 33.01 32.21 1ubs s GLN 370 CO 0.09 -0.09 0.48 -1.17 -1.32 0.00 0.00 175.29 173.28 1ubs s LEU 371 N 0.16 6.12 0.09 2.60 2.96 -1.26 -0.80 118.68 128.55 1ubs s LEU 371 Ca -0.01 -1.80 0.03 0.00 -0.22 0.00 0.00 54.13 52.14 1ubs s LEU 371 Cb -0.04 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1ubs s LEU 371 CO 0.01 -0.83 0.09 -0.76 -1.32 0.00 0.00 176.35 173.54 1ubs s LEU 372 N 1.57 3.82 -0.09 -0.68 1.43 -0.35 0.29 118.68 124.68 1ubs s LEU 372 Ca 0.03 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1ubs s LEU 372 Cb -0.29 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.46 1ubs s LEU 372 CO 0.03 0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 1ubs s VAL 373 N -1.45 0.94 -0.12 -1.59 1.01 -1.02 -1.35 120.40 116.82 1ubs s VAL 373 Ca 0.30 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1ubs s VAL 373 Cb -0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1ubs s VAL 373 CO 0.22 0.34 0.01 -0.69 0.00 0.00 0.00 175.10 174.98 1ubs s VAL 374 N 1.30 4.32 -0.43 2.92 1.01 -0.16 -0.87 120.40 128.50 1ubs s VAL 374 Ca -0.03 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1ubs s VAL 374 Cb -0.14 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ubs s VAL 374 CO -0.03 0.55 0.79 0.21 0.00 0.00 0.00 175.10 176.62 1ubs s ASN 375 N -0.37 6.45 -0.83 3.32 2.47 -0.53 -0.49 114.94 124.96 1ubs s ASN 375 Ca 0.07 0.03 -0.20 0.00 0.42 0.00 0.00 52.86 53.19 1ubs s ASN 375 Cb -0.12 -2.39 0.11 0.00 -1.45 0.00 0.00 41.25 37.40 1ubs s ASN 375 CO 0.02 -0.87 1.04 -0.22 -3.72 0.00 0.00 177.10 173.35 1ubs s LEU 376 N 3.26 4.94 0.46 3.21 2.96 -0.06 -4.76 118.68 128.70 1ubs s LEU 376 Ca 0.31 -1.73 0.13 0.00 -0.22 0.00 0.00 54.13 52.62 1ubs s LEU 376 Cb -0.12 -2.39 1.04 0.00 0.50 0.00 0.00 46.19 45.21 1ubs s LEU 376 CO 0.21 -1.16 2.04 0.77 -1.32 0.00 0.00 176.35 176.89 1ubs h SER 377 N 9.04 0.09 -5.24 3.68 4.64 -1.91 -2.64 113.55 121.21 1ubs h SER 377 Ca -0.00 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1ubs h SER 377 Cb 1.04 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 1ubs h SER 377 CO 1.12 0.17 0.01 -0.83 -0.87 0.00 0.00 176.83 176.44 1ubs s GLY 378 N -4.07 0.77 0.26 -0.77 0.00 -1.26 -1.34 107.32 100.91 1ubs s GLY 378 Ca -0.05 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1ubs s GLY 378 CO 0.70 -0.61 0.43 1.09 0.00 0.00 0.00 173.10 174.71 1ubs s ARG 379 N -3.10 3.48 -0.06 2.90 1.70 -0.55 -1.52 118.95 121.80 1ubs s ARG 379 Ca 0.22 -0.48 0.18 0.00 -0.47 0.00 0.00 55.73 55.18 1ubs s ARG 379 Cb -0.03 -2.80 0.60 0.00 -0.57 0.00 0.00 34.95 32.16 1ubs s ARG 379 CO 0.14 0.33 1.51 0.41 -1.08 0.00 0.00 175.30 176.61 1ubs n GLY 380 N -1.28 2.78 0.24 3.88 0.00 -0.70 -3.80 105.19 106.31 1ubs n GLY 380 Ca -0.06 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.22 1ubs n GLY 380 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ubs h ASP 381 N 3.58 0.04 0.00 1.61 3.32 -1.86 0.82 116.42 123.93 1ubs h ASP 381 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1ubs h ASP 381 Cb 1.17 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1ubs h ASP 381 CO 0.11 0.01 0.10 0.07 -1.72 0.00 0.00 179.24 177.82 1ubs h LYS 382 N 0.28 0.00 0.00 3.56 2.10 -1.98 -2.78 116.57 117.76 1ubs h LYS 382 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 1ubs h LYS 382 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ubs h LYS 382 CO -0.42 0.00 -1.05 -0.25 -2.00 0.00 0.00 179.45 175.73 1ubs n ASP 383 N -2.90 0.87 -0.04 7.07 8.00 0.28 -4.51 116.55 125.33 1ubs n ASP 383 Ca -0.02 -0.87 0.18 0.00 0.71 0.00 0.00 54.79 54.78 1ubs n ASP 383 Cb 0.16 1.10 0.62 0.00 -0.02 0.00 0.00 41.12 42.97 1ubs n ASP 383 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1ubs h ILE 384 N 0.00 0.78 -0.19 0.53 -0.00 -1.17 -1.73 117.51 115.73 1ubs h ILE 384 Ca 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 64.86 64.78 1ubs h ILE 384 Cb 0.52 0.61 -0.01 0.00 -0.00 0.00 0.00 36.82 37.94 1ubs h ILE 384 CO 0.00 0.03 -0.00 -0.26 -0.00 0.00 0.00 178.15 177.91 1ubs h PHE 385 N 0.15 0.36 0.34 0.16 0.04 -1.81 -0.85 116.94 115.34 1ubs h PHE 385 Ca 0.28 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 1ubs h PHE 385 Cb 0.89 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1ubs h PHE 385 CO -0.00 0.54 -0.32 1.15 -0.60 0.00 0.00 178.31 179.08 1ubs h THR 386 N 0.08 0.33 -0.22 -1.55 2.02 -1.63 0.15 112.91 112.10 1ubs h THR 386 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1ubs h THR 386 Cb 0.40 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1ubs h THR 386 CO 0.01 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.63 1ubs h VAL 387 N -0.68 1.03 0.00 3.16 2.07 -1.51 -1.27 116.25 119.05 1ubs h VAL 387 Ca -0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ubs h VAL 387 Cb 0.61 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1ubs h VAL 387 CO -0.05 0.05 0.00 1.57 0.02 0.00 0.00 177.57 179.16 1ubs n HIS 388 N -4.50 0.00 0.00 1.57 -0.00 -0.32 -0.88 115.22 111.08 1ubs n HIS 388 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1ubs n HIS 388 Cb 0.11 -0.47 0.00 0.00 -0.00 0.00 0.00 29.99 29.62 1ubs n HIS 388 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ubs n ASP 389 N -1.92 0.00 -0.09 0.26 9.92 0.45 -0.04 116.55 125.14 1ubs n ASP 389 Ca 0.00 0.09 -0.22 0.00 -0.53 0.00 0.00 54.79 54.12 1ubs n ASP 389 Cb 0.00 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.27 1ubs n ASP 389 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ubs n ILE 390 N -1.07 1.59 1.19 0.53 2.08 -0.50 -5.06 119.36 118.12 1ubs n ILE 390 Ca 0.00 -0.46 0.10 0.00 0.56 0.00 0.00 62.75 62.95 1ubs n ILE 390 Cb 0.00 -1.72 0.57 0.00 -0.75 0.00 0.00 39.64 37.74 1ubs n ILE 390 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29