============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 10 0.840 50.920 -11.910 71.305 -99.200 -91.000 TYR 21 0.840 58.153 -22.714 65.005 -99.200 -91.000 PHE 23 1.000 59.192 -16.444 56.658 -99.200 -91.000 HIS 34 0.900 62.645 -25.842 50.042 -99.200 -91.000 TYR 38 0.840 53.211 -24.638 54.409 -99.200 -91.000 PHE 42 1.000 51.895 -26.199 58.878 -99.200 -91.000 PHE 60 1.000 53.908 -12.475 57.219 -99.200 -91.000 PHE 67 1.000 59.110 -0.502 64.898 -99.200 -91.000 TYR 68 0.840 50.821 4.452 64.682 -99.200 -91.000 TYR 80 0.840 54.366 7.657 59.140 -99.200 -91.000 PHE 83 1.000 61.138 0.805 60.002 -99.200 -91.000 TRP 85 1.040 55.336 -8.209 58.332 -99.200 -91.000 TRP6 85 1.020 56.343 -9.324 60.138 -99.200 -91.000 PHE 86 1.000 58.033 -11.059 54.071 -99.200 -91.000 HIS 91 0.900 55.004 -19.587 43.652 -99.200 -91.000 TYR 98 0.840 54.876 -19.374 47.198 -99.200 -91.000 HIS 101 0.900 65.885 -12.154 49.677 -99.200 -91.000 TYR 105 0.840 65.850 0.388 58.161 -99.200 -91.000 PHE 109 1.000 62.892 -3.701 65.997 -99.200 -91.000 PHE 110 1.000 62.154 -11.700 62.225 -99.200 -91.000 PHE 117 1.000 56.399 -17.874 66.983 -99.200 -91.000 PHE 120 1.000 56.106 -13.713 77.078 -99.200 -91.000 TYR 132 0.840 44.870 -0.751 75.583 -99.200 -91.000 TYR 137 0.840 49.128 -14.723 76.685 -99.200 -91.000 TYR 143 0.840 54.308 -12.046 87.835 -99.200 -91.000 TRP 158 1.040 52.706 -2.330 87.871 -99.200 -91.000 TRP6 158 1.020 52.252 -4.354 86.732 -99.200 -91.000 TYR 163 0.840 49.270 -4.509 81.607 -99.200 -91.000 TYR 169 0.840 39.737 2.243 78.840 -99.200 -91.000 PHE 175 1.000 40.843 -1.303 85.122 -99.200 -91.000 PHE 179 1.000 42.992 -3.925 81.312 -99.200 -91.000 TYR 197 0.840 37.198 -9.851 86.302 -99.200 -91.000 HIS 208 0.900 46.679 -4.013 95.560 -99.200 -91.000 PHE 211 1.000 44.002 -9.631 86.480 -99.200 -91.000 PHE 213 1.000 48.806 -17.213 85.488 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z9oB1 GLN 20 HA 0.06 -0.04 0.13 -0.75 4.36 3.76 2z9oB1 SER 21 H 0.04 0.12 0.12 -0.55 8.46 8.20 2z9oB1 SER 21 HA 0.00 0.24 0.80 -0.75 4.49 4.78 2z9oB1 SER 21 HB2 -0.01 0.10 -0.11 -0.04 3.95 3.89 2z9oB1 SER 21 HB3 0.03 -0.03 -0.02 -0.04 3.93 3.87 2z9oB1 ASN 22 H 0.03 0.24 0.19 -0.55 8.53 8.45 2z9oB1 ASN 22 HA 0.05 0.09 0.27 -0.75 4.76 4.41 2z9oB1 ASN 22 HB2 0.06 -0.09 0.23 -0.04 2.88 3.03 2z9oB1 ASN 22 HB3 0.09 0.54 0.40 -0.04 2.79 3.78 2z9oB1 ASN 22 HD21 -0.09 0.03 -0.09 -0.04 7.03 6.84 2z9oB1 ASN 22 HD22 -0.07 0.03 -0.01 -0.04 7.74 7.65 2z9oB1 ASP 23 H 0.12 0.20 0.13 -0.55 8.40 8.30 2z9oB1 ASP 23 HA 0.05 0.10 0.36 -0.75 4.63 4.39 2z9oB1 ASP 23 HB2 0.43 -0.09 0.16 -0.04 2.71 3.17 2z9oB1 ASP 23 HB3 -0.02 0.13 0.01 -0.04 2.70 2.78 2z9oB1 LEU 24 H 0.05 0.13 -0.05 -0.55 8.37 7.95 2z9oB1 LEU 24 HA -0.18 0.07 0.27 -0.75 4.35 3.76 2z9oB1 LEU 24 HB2 -0.29 -0.03 0.05 -0.04 1.64 1.33 2z9oB1 LEU 24 HB3 -0.08 0.05 -0.14 -0.04 1.64 1.44 2z9oB1 LEU 24 HG -0.49 -0.01 0.01 -0.04 1.64 1.11 2z9oB1 LEU 24 HD13 -0.08 0.00 -0.07 -0.04 0.93 0.74 2z9oB1 LEU 24 HD23 -0.10 0.01 -0.02 -0.04 0.89 0.74 2z9oB1 THR 25 H 0.03 0.02 -1.04 -0.55 8.28 6.74 2z9oB1 THR 25 HA 0.05 0.11 0.47 -0.75 4.39 4.27 2z9oB1 THR 25 HB 0.04 0.08 0.31 -0.04 4.32 4.71 2z9oB1 THR 25 HG23 0.03 0.03 -0.05 -0.04 1.22 1.19 2z9oB1 GLU 26 H 0.05 0.43 0.23 -0.55 8.60 8.77 2z9oB1 GLU 26 HA 0.24 0.06 0.40 -0.75 4.29 4.23 2z9oB1 GLU 26 HB2 -0.08 -0.03 0.12 -0.04 2.09 2.06 2z9oB1 GLU 26 HB3 -0.04 -0.02 0.10 -0.04 1.99 1.98 2z9oB1 GLU 26 HG2 0.02 0.11 0.02 -0.04 2.34 2.45 2z9oB1 GLU 26 HG3 -0.01 0.02 -0.21 -0.04 2.34 2.10 2z9oB1 ALA 27 H 0.08 0.14 -1.35 -0.55 8.40 6.71 2z9oB1 ALA 27 HA 0.05 0.06 0.58 -0.75 4.34 4.27 2z9oB1 ALA 27 HB3 0.01 0.01 -0.13 -0.04 1.41 1.25 2z9oB1 ALA 28 H 0.11 0.59 0.02 -0.55 8.40 8.58 2z9oB1 ALA 28 HA 0.17 -0.02 0.50 -0.75 4.34 4.23 2z9oB1 ALA 28 HB3 -0.00 0.03 0.14 -0.04 1.41 1.53 2z9oB1 TYR 29 H 0.15 0.15 -0.18 -0.55 8.29 7.86 2z9oB1 TYR 29 HA -0.10 0.11 0.28 -0.75 4.56 4.09 2z9oB1 TYR 29 HB2 -0.08 0.06 -0.04 -0.04 3.06 2.96 2z9oB1 TYR 29 HB3 -0.11 -0.02 -0.03 -0.04 2.98 2.78 2z9oB1 TYR 29 HD2 -0.13 0.01 0.02 -0.04 7.15 7.00 2z9oB1 TYR 29 HE2 -0.18 0.01 -0.07 -0.04 6.85 6.57 2z9oB1 SER 30 H 0.06 0.10 -0.70 -0.55 8.46 7.37 2z9oB1 SER 30 HA -0.02 0.02 0.43 -0.75 4.49 4.16 2z9oB1 SER 30 HB2 -0.01 -0.13 0.01 -0.04 3.95 3.78 2z9oB1 SER 30 HB3 0.02 0.03 0.10 -0.04 3.93 4.04 2z9oB1 LEU 31 H 0.00 0.18 0.01 -0.55 8.37 8.01 2z9oB1 LEU 31 HA -0.15 -0.14 0.36 -0.75 4.35 3.67 2z9oB1 LEU 31 HB2 -0.07 0.24 0.01 -0.04 1.64 1.78 2z9oB1 LEU 31 HB3 -0.17 -0.19 -0.06 -0.04 1.64 1.18 2z9oB1 LEU 31 HG 0.09 0.11 0.22 -0.04 1.64 2.02 2z9oB1 LEU 31 HD13 0.07 -0.03 -0.04 -0.04 0.93 0.89 2z9oB1 LEU 31 HD23 -0.17 -0.04 0.03 -0.04 0.89 0.67 2z9oB1 SER 32 H -0.22 -0.01 0.15 -0.55 8.46 7.84 2z9oB1 SER 32 HA -0.11 0.22 0.50 -0.75 4.49 4.35 2z9oB1 SER 32 HB2 -0.12 -0.06 0.11 -0.04 3.95 3.83 2z9oB1 SER 32 HB3 -0.14 0.12 0.14 -0.04 3.93 4.01 2z9oB1 ARG 33 H -0.09 0.17 0.17 -0.55 8.46 8.15 2z9oB1 ARG 33 HA -0.07 0.25 0.31 -0.75 4.34 4.09 2z9oB1 ARG 33 HB2 -0.06 0.09 0.15 -0.04 1.90 2.04 2z9oB1 ARG 33 HB3 -0.08 -0.18 0.16 -0.04 1.80 1.65 2z9oB1 ARG 33 HG2 -0.07 -0.04 -0.26 -0.04 1.67 1.25 2z9oB1 ARG 33 HG3 -0.03 0.13 -0.01 -0.04 1.67 1.71 2z9oB1 ARG 33 HD2 -0.04 0.05 -0.06 -0.04 3.22 3.13 2z9oB1 ARG 33 HD3 -0.04 0.02 -0.01 -0.04 3.22 3.15 2z9oB1 ASP 34 H -0.12 0.07 -0.16 -0.55 8.40 7.65 2z9oB1 ASP 34 HA -0.17 0.07 0.28 -0.75 4.63 4.06 2z9oB1 ASP 34 HB2 -0.14 -0.07 0.05 -0.04 2.71 2.51 2z9oB1 ASP 34 HB3 -0.15 0.06 -0.09 -0.04 2.70 2.47 2z9oB1 GLN 35 H -0.22 0.03 -0.26 -0.55 8.47 7.48 2z9oB1 GLN 35 HA -0.22 -0.00 0.35 -0.75 4.36 3.73 2z9oB1 GLN 35 HB2 -0.37 0.05 0.11 -0.04 2.15 1.90 2z9oB1 GLN 35 HB3 -0.80 0.05 -0.02 -0.04 2.02 1.21 2z9oB1 GLN 35 HG2 -0.90 -0.01 -0.05 -0.04 2.40 1.40 2z9oB1 GLN 35 HG3 -0.44 -0.11 0.06 -0.04 2.39 1.87 2z9oB1 GLN 35 HE21 -0.63 0.22 -0.48 -0.04 6.97 6.04 2z9oB1 GLN 35 HE22 -0.96 0.24 -0.08 -0.04 7.69 6.84 2z9oB1 LYS 36 H -0.11 0.94 -0.19 -0.55 8.42 8.50 2z9oB1 LYS 36 HA 0.08 -0.04 0.26 -0.75 4.32 3.86 2z9oB1 LYS 36 HB2 -0.04 0.14 0.10 -0.04 1.87 2.02 2z9oB1 LYS 36 HB3 0.06 -0.04 -0.11 -0.04 1.79 1.65 2z9oB1 LYS 36 HG2 -0.07 -0.12 -0.14 -0.04 1.46 1.09 2z9oB1 LYS 36 HG3 -0.08 0.05 -0.22 -0.04 1.46 1.17 2z9oB1 LYS 36 HD2 -0.08 -0.11 -0.19 -0.04 1.69 1.27 2z9oB1 LYS 36 HD3 -0.07 -0.05 -0.12 -0.04 1.68 1.40 2z9oB1 LYS 36 HE2 -0.14 0.64 -0.03 -0.04 2.99 3.42 2z9oB1 LYS 36 HE3 -0.26 -0.20 -0.11 -0.04 2.99 2.39 2z9oB1 ARG 37 H -0.05 0.96 -0.08 -0.55 8.46 8.73 2z9oB1 ARG 37 HA 0.07 0.00 0.29 -0.75 4.34 3.95 2z9oB1 ARG 37 HB2 -0.23 0.10 0.05 -0.04 1.90 1.78 2z9oB1 ARG 37 HB3 -0.37 -0.10 0.02 -0.04 1.80 1.30 2z9oB1 ARG 37 HG2 -0.03 0.05 -0.04 -0.04 1.67 1.62 2z9oB1 ARG 37 HG3 -0.15 -0.07 -0.50 -0.04 1.67 0.90 2z9oB1 ARG 37 HD2 0.05 0.01 -0.05 -0.04 3.22 3.19 2z9oB1 ARG 37 HD3 -0.07 0.00 -0.10 -0.04 3.22 3.02 2z9oB1 MET 38 H -0.06 0.49 -0.53 -0.55 8.47 7.82 2z9oB1 MET 38 HA -0.11 -0.00 0.65 -0.75 4.52 4.31 2z9oB1 MET 38 HB2 -0.09 -0.02 0.03 -0.04 2.15 2.02 2z9oB1 MET 38 HB3 -0.08 0.12 0.15 -0.04 2.03 2.18 2z9oB1 MET 38 HG2 -1.09 -0.00 -0.20 -0.04 2.63 1.29 2z9oB1 MET 38 HG3 -0.51 -0.06 -0.01 -0.04 2.56 1.94 2z9oB1 MET 38 HE3 -0.10 -0.02 -0.08 -0.04 2.10 1.87 2z9oB1 LEU 39 H -0.03 0.94 0.18 -0.55 8.37 8.91 2z9oB1 LEU 39 HA -0.17 -0.06 0.32 -0.75 4.35 3.68 2z9oB1 LEU 39 HB2 0.13 -0.02 0.02 -0.04 1.64 1.73 2z9oB1 LEU 39 HB3 0.23 0.15 0.07 -0.04 1.64 2.05 2z9oB1 LEU 39 HG 0.20 -0.04 -0.02 -0.04 1.64 1.74 2z9oB1 LEU 39 HD13 0.14 -0.02 0.03 -0.04 0.93 1.04 2z9oB1 LEU 39 HD23 0.30 0.01 -0.03 -0.04 0.89 1.12 2z9oB1 TYR 40 H 0.10 0.31 -0.83 -0.55 8.29 7.31 2z9oB1 TYR 40 HA -0.36 0.08 0.58 -0.75 4.56 4.11 2z9oB1 TYR 40 HB2 -0.02 0.10 -0.00 -0.04 3.06 3.10 2z9oB1 TYR 40 HB3 -0.01 0.07 0.07 -0.04 2.98 3.07 2z9oB1 TYR 40 HD2 -0.01 -0.01 -0.26 -0.04 7.15 6.83 2z9oB1 TYR 40 HE2 0.04 -0.01 -0.06 -0.04 6.85 6.78 2z9oB1 LEU 41 H 0.15 0.32 0.05 -0.55 8.37 8.35 2z9oB1 LEU 41 HA 0.24 0.01 0.36 -0.75 4.35 4.21 2z9oB1 LEU 41 HB2 0.18 0.07 0.10 -0.04 1.64 1.95 2z9oB1 LEU 41 HB3 0.22 -0.05 0.13 -0.04 1.64 1.90 2z9oB1 LEU 41 HG 0.12 0.24 0.20 -0.04 1.64 2.16 2z9oB1 LEU 41 HD13 0.20 -0.04 0.03 -0.04 0.93 1.08 2z9oB1 LEU 41 HD23 0.12 -0.02 0.03 -0.04 0.89 0.97 2z9oB1 PHE 42 H 0.21 0.24 -0.92 -0.55 8.34 7.32 2z9oB1 PHE 42 HA 0.05 0.02 0.48 -0.75 4.62 4.42 2z9oB1 PHE 42 HB2 0.15 0.14 0.05 -0.04 3.15 3.45 2z9oB1 PHE 42 HB3 0.17 -0.05 -0.08 -0.04 3.06 3.06 2z9oB1 PHE 42 HD2 0.10 -0.02 -0.23 -0.04 7.28 7.09 2z9oB1 PHE 42 HE2 0.01 -0.03 -0.18 -0.04 7.38 7.13 2z9oB1 PHE 42 HZ -0.15 -0.04 -0.17 -0.04 7.32 6.91 2z9oB1 VAL 43 H 0.22 0.55 0.06 -0.55 8.24 8.53 2z9oB1 VAL 43 HA 0.26 -0.12 0.24 -0.75 4.13 3.76 2z9oB1 VAL 43 HB -0.41 0.05 0.21 -0.04 2.12 1.93 2z9oB1 VAL 43 HG13 -0.24 -0.01 -0.18 -0.04 0.97 0.51 2z9oB1 VAL 43 HG23 -0.01 0.02 0.05 -0.04 0.95 0.97 2z9oB1 ASP 44 H -0.04 0.47 -0.56 -0.55 8.40 7.71 2z9oB1 ASP 44 HA -0.07 -0.04 0.31 -0.75 4.63 4.08 2z9oB1 ASP 44 HB2 0.04 -0.05 0.02 -0.04 2.71 2.68 2z9oB1 ASP 44 HB3 0.08 0.09 0.05 -0.04 2.70 2.88 2z9oB1 GLN 45 H 0.06 0.21 -0.02 -0.55 8.47 8.17 2z9oB1 GLN 45 HA 0.01 -0.05 0.41 -0.75 4.36 3.97 2z9oB1 GLN 45 HB2 -0.01 -0.05 0.25 -0.04 2.15 2.30 2z9oB1 GLN 45 HB3 -0.02 -0.04 0.07 -0.04 2.02 1.98 2z9oB1 GLN 45 HG2 0.04 -0.08 0.08 -0.04 2.40 2.40 2z9oB1 GLN 45 HG3 0.07 0.15 0.21 -0.04 2.39 2.78 2z9oB1 GLN 45 HE21 0.06 -0.23 0.18 -0.04 6.97 6.95 2z9oB1 GLN 45 HE22 0.13 0.30 0.18 -0.04 7.69 8.26 2z9oB1 ILE 46 H -0.03 0.13 -0.10 -0.55 8.25 7.70 2z9oB1 ILE 46 HA -0.05 0.15 0.53 -0.75 4.18 4.05 2z9oB1 ASP 57 HA -0.07 0.01 0.27 -0.75 4.63 4.09 2z9oB1 GLY 58 H -0.12 0.16 0.04 -0.55 8.43 7.97 2z9oB1 GLY 58 HA2 -0.14 0.23 1.01 -0.51 4.01 4.60 2z9oB1 GLY 58 HA3 -0.11 -0.01 0.33 -0.51 4.01 3.70 2z9oB1 ILE 59 H -0.15 0.21 -0.20 -0.55 8.25 7.56 2z9oB1 ILE 59 HA -0.14 0.16 0.98 -0.75 4.18 4.43 2z9oB1 ILE 59 HB -0.16 0.02 0.00 -0.04 1.89 1.71 2z9oB1 ILE 59 HG12 -1.03 -0.02 0.00 -0.04 1.49 0.41 2z9oB1 ILE 59 HG13 -0.32 -0.11 -0.07 -0.04 1.21 0.68 2z9oB1 ILE 59 HG23 -0.05 0.02 0.05 -0.04 0.93 0.91 2z9oB1 ILE 59 HD13 -0.29 0.00 -0.02 -0.04 0.88 0.53 2z9oB1 CYS 60 H -0.08 0.52 0.39 -0.55 8.50 8.78 2z9oB1 CYS 60 HA -0.11 0.11 0.65 -0.75 4.58 4.49 2z9oB1 CYS 60 HB2 -0.63 -0.09 -0.08 -0.04 2.97 2.13 2z9oB1 CYS 60 HB3 -0.33 0.06 -0.07 -0.04 2.97 2.60 2z9oB1 GLU 61 H -0.01 0.29 0.22 -0.55 8.60 8.56 2z9oB1 GLU 61 HA -0.05 0.20 0.92 -0.75 4.29 4.61 2z9oB1 GLU 61 HB2 -0.01 0.02 0.02 -0.04 2.09 2.07 2z9oB1 GLU 61 HB3 -0.20 -0.05 -0.04 -0.04 1.99 1.66 2z9oB1 GLU 61 HG2 -0.03 0.01 -0.07 -0.04 2.34 2.21 2z9oB1 GLU 61 HG3 -0.02 -0.02 -0.30 -0.04 2.34 1.96 2z9oB1 ILE 62 H -0.10 0.28 0.14 -0.55 8.25 8.02 2z9oB1 ILE 62 HA 0.11 0.15 0.72 -0.75 4.18 4.41 2z9oB1 ILE 62 HB 0.05 -0.07 0.14 -0.04 1.89 1.96 2z9oB1 ILE 62 HG12 0.25 0.17 -0.16 -0.04 1.49 1.71 2z9oB1 ILE 62 HG13 0.17 0.03 -0.58 -0.04 1.21 0.80 2z9oB1 ILE 62 HG23 0.12 -0.01 -0.13 -0.04 0.93 0.87 2z9oB1 ILE 62 HD13 0.31 -0.01 -0.12 -0.04 0.88 1.02 2z9oB1 HIS 63 H 0.32 0.24 0.09 -0.55 8.41 8.52 2z9oB1 HIS 63 HA 0.10 0.30 1.14 -0.75 4.63 5.41 2z9oB1 HIS 63 HB2 0.08 -0.15 0.25 -0.04 3.26 3.40 2z9oB1 HIS 63 HB3 0.07 0.09 0.13 -0.04 3.20 3.45 2z9oB1 HIS 63 HD2 0.05 0.08 -0.03 -0.04 6.97 7.02 2z9oB1 HIS 63 HE1 0.05 0.09 -0.09 -0.04 7.75 7.75 2z9oB1 VAL 64 H 0.11 0.43 0.23 -0.55 8.24 8.46 2z9oB1 VAL 64 HA -0.07 -0.01 0.29 -0.75 4.13 3.59 2z9oB1 VAL 64 HB 0.01 0.12 0.13 -0.04 2.12 2.35 2z9oB1 VAL 64 HG13 0.04 -0.01 0.02 -0.04 0.97 0.98 2z9oB1 VAL 64 HG23 0.10 0.17 0.11 -0.04 0.95 1.29 2z9oB1 ALA 65 H 0.14 0.08 -0.50 -0.55 8.40 7.57 2z9oB1 ALA 65 HA 0.10 0.08 0.54 -0.75 4.34 4.30 2z9oB1 ALA 65 HB3 0.07 -0.00 0.07 -0.04 1.41 1.51 2z9oB1 LYS 66 H 0.11 0.08 0.09 -0.55 8.42 8.15 2z9oB1 LYS 66 HA 0.05 0.05 0.34 -0.75 4.32 4.00 2z9oB1 LYS 66 HB2 0.12 0.04 0.02 -0.04 1.87 2.01 2z9oB1 LYS 66 HB3 0.02 0.05 0.13 -0.04 1.79 1.94 2z9oB1 LYS 66 HG2 0.15 -0.03 0.21 -0.04 1.46 1.75 2z9oB1 LYS 66 HG3 -0.20 0.04 0.09 -0.04 1.46 1.35 2z9oB1 LYS 66 HD2 -0.08 0.07 0.06 -0.04 1.69 1.69 2z9oB1 LYS 66 HD3 0.01 -0.07 0.09 -0.04 1.68 1.67 2z9oB1 LYS 66 HE2 0.08 -0.11 0.06 -0.04 2.99 2.98 2z9oB1 LYS 66 HE3 -0.21 0.04 0.04 -0.04 2.99 2.82 2z9oB1 TYR 67 H 0.27 0.44 -0.54 -0.55 8.29 7.90 2z9oB1 TYR 67 HA 0.14 0.08 0.41 -0.75 4.56 4.44 2z9oB1 TYR 67 HB2 0.09 -0.04 -0.08 -0.04 3.06 2.99 2z9oB1 TYR 67 HB3 0.07 -0.02 -0.01 -0.04 2.98 2.98 2z9oB1 TYR 67 HD2 0.06 0.04 -0.09 -0.04 7.15 7.12 2z9oB1 TYR 67 HE2 -0.17 0.03 -0.12 -0.04 6.85 6.55 2z9oB1 ALA 68 H 0.46 0.37 0.07 -0.55 8.40 8.76 2z9oB1 ALA 68 HA 0.38 -0.12 0.22 -0.75 4.34 4.07 2z9oB1 ALA 68 HB3 0.14 0.02 0.03 -0.04 1.41 1.56 2z9oB1 GLU 69 H 0.11 0.45 -0.69 -0.55 8.60 7.93 2z9oB1 GLU 69 HA 0.03 -0.01 0.57 -0.75 4.29 4.13 2z9oB1 GLU 69 HB2 0.04 -0.10 -0.00 -0.04 2.09 1.99 2z9oB1 GLU 69 HB3 0.02 0.19 0.13 -0.04 1.99 2.29 2z9oB1 GLU 69 HG2 -0.00 -0.03 -0.01 -0.04 2.34 2.25 2z9oB1 GLU 69 HG3 -0.02 0.04 -0.11 -0.04 2.34 2.21 2z9oB1 ILE 70 H -0.01 0.85 0.35 -0.55 8.25 8.88 2z9oB1 ILE 70 HA -0.20 -0.00 0.43 -0.75 4.18 3.65 2z9oB1 ILE 70 HB -0.37 -0.12 0.13 -0.04 1.89 1.50 2z9oB1 ILE 70 HG12 -0.04 0.58 0.57 -0.04 1.49 2.56 2z9oB1 ILE 70 HG13 -0.12 -0.13 0.13 -0.04 1.21 1.04 2z9oB1 ILE 70 HG23 -0.67 -0.02 -0.03 -0.04 0.93 0.17 2z9oB1 ILE 70 HD13 -0.10 -0.06 0.09 -0.04 0.88 0.77 2z9oB1 PHE 71 H 0.08 0.11 -0.38 -0.55 8.34 7.60 2z9oB1 PHE 71 HA -0.09 0.27 0.69 -0.75 4.62 4.73 2z9oB1 PHE 71 HB2 -0.09 -0.10 -0.12 -0.04 3.15 2.80 2z9oB1 PHE 71 HB3 -0.06 0.01 0.03 -0.04 3.06 2.99 2z9oB1 PHE 71 HD2 -0.51 -0.02 -0.11 -0.04 7.28 6.61 2z9oB1 PHE 71 HE2 -0.40 0.02 -0.05 -0.04 7.38 6.91 2z9oB1 PHE 71 HZ -0.24 0.07 -0.00 -0.04 7.32 7.11 2z9oB1 GLY 72 H 0.04 0.31 -0.53 -0.55 8.43 7.71 2z9oB1 GLY 72 HA2 0.04 0.03 0.35 -0.51 4.01 3.91 2z9oB1 GLY 72 HA3 0.03 -0.00 0.37 -0.51 4.01 3.90 2z9oB1 LEU 73 H 0.11 0.57 0.08 -0.55 8.37 8.58 2z9oB1 LEU 73 HA 0.06 0.14 0.75 -0.75 4.35 4.54 2z9oB1 LEU 73 HB2 0.16 -0.04 -0.07 -0.04 1.64 1.64 2z9oB1 LEU 73 HB3 0.07 -0.16 -0.04 -0.04 1.64 1.47 2z9oB1 LEU 73 HG 0.14 0.17 -0.36 -0.04 1.64 1.55 2z9oB1 LEU 73 HD13 0.13 -0.02 -0.15 -0.04 0.93 0.85 2z9oB1 LEU 73 HD23 0.03 0.02 -0.03 -0.04 0.89 0.88 2z9oB1 THR 74 H 0.03 0.07 0.14 -0.55 8.28 7.97 2z9oB1 THR 74 HA 0.03 0.21 0.47 -0.75 4.39 4.35 2z9oB1 THR 74 HB 0.02 0.04 0.16 -0.04 4.32 4.49 2z9oB1 THR 74 HG23 0.02 0.06 0.07 -0.04 1.22 1.33 2z9oB1 SER 75 H 0.04 0.20 0.16 -0.55 8.46 8.32 2z9oB1 SER 75 HA 0.06 0.20 0.33 -0.75 4.49 4.32 2z9oB1 SER 75 HB2 0.04 0.08 0.13 -0.04 3.95 4.16 2z9oB1 SER 75 HB3 0.04 -0.04 0.12 -0.04 3.93 4.00 2z9oB1 ALA 76 H 0.02 0.09 -0.18 -0.55 8.40 7.79 2z9oB1 ALA 76 HA 0.02 0.11 0.63 -0.75 4.34 4.36 2z9oB1 ALA 76 HB3 0.02 0.04 0.03 -0.04 1.41 1.46 2z9oB1 GLU 77 H 0.01 0.05 -0.28 -0.55 8.60 7.84 2z9oB1 GLU 77 HA -0.01 0.09 0.40 -0.75 4.29 4.02 2z9oB1 GLU 77 HB2 0.02 -0.07 0.19 -0.04 2.09 2.19 2z9oB1 GLU 77 HB3 0.01 0.12 0.02 -0.04 1.99 2.10 2z9oB1 GLU 77 HG2 0.00 0.07 0.08 -0.04 2.34 2.46 2z9oB1 GLU 77 HG3 0.01 -0.05 0.08 -0.04 2.34 2.33 2z9oB1 ALA 78 H -0.02 0.29 -0.63 -0.55 8.40 7.48 2z9oB1 ALA 78 HA -0.15 0.11 0.45 -0.75 4.34 4.00 2z9oB1 ALA 78 HB3 -0.22 0.05 0.11 -0.04 1.41 1.31 2z9oB1 SER 79 H -0.09 0.27 0.03 -0.55 8.46 8.12 2z9oB1 SER 79 HA -0.25 -0.02 0.33 -0.75 4.49 3.79 2z9oB1 SER 79 HB2 0.06 0.01 0.16 -0.04 3.95 4.14 2z9oB1 SER 79 HB3 0.03 0.14 0.14 -0.04 3.93 4.19 2z9oB1 LYS 80 H -0.06 0.38 -0.52 -0.55 8.42 7.66 2z9oB1 LYS 80 HA -0.02 0.01 0.40 -0.75 4.32 3.95 2z9oB1 LYS 80 HB2 -0.03 0.08 0.08 -0.04 1.87 1.97 2z9oB1 LYS 80 HB3 -0.05 0.08 0.04 -0.04 1.79 1.82 2z9oB1 LYS 80 HG2 -0.00 -0.03 0.01 -0.04 1.46 1.39 2z9oB1 LYS 80 HG3 -0.01 -0.00 -0.00 -0.04 1.46 1.40 2z9oB1 LYS 80 HD2 -0.02 -0.04 0.01 -0.04 1.69 1.60 2z9oB1 LYS 80 HD3 -0.01 0.00 -0.01 -0.04 1.68 1.61 2z9oB1 LYS 80 HE2 -0.02 0.00 -0.03 -0.04 2.99 2.89 2z9oB1 LYS 80 HE3 -0.04 0.05 -0.14 -0.04 2.99 2.82 2z9oB1 ASP 81 H -0.12 0.37 -0.02 -0.55 8.40 8.08 2z9oB1 ASP 81 HA -0.11 -0.02 0.39 -0.75 4.63 4.13 2z9oB1 ASP 81 HB2 -0.15 0.09 0.27 -0.04 2.71 2.88 2z9oB1 ASP 81 HB3 -0.15 -0.05 -0.03 -0.04 2.70 2.43 2z9oB1 ILE 82 H -0.36 0.79 -0.18 -0.55 8.25 7.96 2z9oB1 ILE 82 HA -0.35 0.05 0.30 -0.75 4.18 3.42 2z9oB1 ILE 82 HB -1.12 -0.00 0.06 -0.04 1.89 0.78 2z9oB1 ILE 82 HG12 -0.60 0.35 -0.44 -0.04 1.49 0.75 2z9oB1 ILE 82 HG13 -0.72 -0.12 -0.25 -0.04 1.21 0.08 2z9oB1 ILE 82 HG23 -0.74 -0.01 -0.11 -0.04 0.93 0.03 2z9oB1 ILE 82 HD13 -1.17 -0.00 -0.12 -0.04 0.88 -0.45 2z9oB1 ARG 83 H -0.29 0.64 0.03 -0.55 8.46 8.29 2z9oB1 ARG 83 HA 0.00 -0.01 0.33 -0.75 4.34 3.91 2z9oB1 ARG 83 HB2 0.14 -0.04 0.04 -0.04 1.90 1.99 2z9oB1 ARG 83 HB3 0.25 -0.03 0.11 -0.04 1.80 2.08 2z9oB1 ARG 83 HG2 0.03 0.16 0.11 -0.04 1.67 1.93 2z9oB1 ARG 83 HG3 -0.00 0.09 -0.07 -0.04 1.67 1.65 2z9oB1 ARG 83 HD2 0.05 -0.01 -0.11 -0.04 3.22 3.11 2z9oB1 ARG 83 HD3 0.11 -0.05 -0.04 -0.04 3.22 3.20 2z9oB1 GLN 84 H -0.09 0.55 -0.33 -0.55 8.47 8.06 2z9oB1 GLN 84 HA -0.03 0.01 0.42 -0.75 4.36 4.01 2z9oB1 GLN 84 HB2 -0.05 -0.02 0.08 -0.04 2.15 2.12 2z9oB1 GLN 84 HB3 -0.09 0.16 0.17 -0.04 2.02 2.22 2z9oB1 GLN 84 HG2 -0.07 -0.03 -0.03 -0.04 2.40 2.23 2z9oB1 GLN 84 HG3 -0.09 -0.01 -0.28 -0.04 2.39 1.97 2z9oB1 GLN 84 HE21 -0.04 0.00 -0.01 -0.04 6.97 6.88 2z9oB1 GLN 84 HE22 -0.07 -0.01 -0.06 -0.04 7.69 7.51 2z9oB1 ALA 85 H -0.11 0.51 -0.11 -0.55 8.40 8.14 2z9oB1 ALA 85 HA -0.16 0.06 0.57 -0.75 4.34 4.05 2z9oB1 ALA 85 HB3 -0.20 0.01 0.01 -0.04 1.41 1.19 2z9oB1 LEU 86 H -0.02 0.65 -0.00 -0.55 8.37 8.45 2z9oB1 LEU 86 HA 0.44 0.02 0.36 -0.75 4.35 4.42 2z9oB1 LEU 86 HB2 0.02 0.16 0.04 -0.04 1.64 1.82 2z9oB1 LEU 86 HB3 0.10 0.03 0.01 -0.04 1.64 1.74 2z9oB1 LEU 86 HG 0.14 -0.05 -0.04 -0.04 1.64 1.66 2z9oB1 LEU 86 HD13 0.13 -0.00 -0.02 -0.04 0.93 1.00 2z9oB1 LEU 86 HD23 0.08 0.00 -0.08 -0.04 0.89 0.85 2z9oB1 LYS 87 H 0.04 0.41 -0.56 -0.55 8.42 7.76 2z9oB1 LYS 87 HA 0.11 -0.03 0.41 -0.75 4.32 4.05 2z9oB1 LYS 87 HB2 0.05 -0.04 0.07 -0.04 1.87 1.91 2z9oB1 LYS 87 HB3 0.02 0.22 0.15 -0.04 1.79 2.13 2z9oB1 LYS 87 HG2 0.03 0.06 -0.44 -0.04 1.46 1.06 2z9oB1 LYS 87 HG3 0.04 -0.08 -0.06 -0.04 1.46 1.32 2z9oB1 LYS 87 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.60 2z9oB1 LYS 87 HD3 0.00 0.04 -0.02 -0.04 1.68 1.66 2z9oB1 LYS 87 HE2 0.01 0.01 -0.07 -0.04 2.99 2.90 2z9oB1 LYS 87 HE3 0.02 -0.03 -0.05 -0.04 2.99 2.88 2z9oB1 SER 88 H -0.03 0.28 -0.06 -0.55 8.46 8.11 2z9oB1 SER 88 HA -0.01 -0.00 0.41 -0.75 4.49 4.13 2z9oB1 SER 88 HB2 -0.20 0.00 0.12 -0.04 3.95 3.83 2z9oB1 SER 88 HB3 -0.11 -0.05 0.12 -0.04 3.93 3.86 2z9oB1 PHE 89 H 0.07 0.28 -0.61 -0.55 8.34 7.53 2z9oB1 PHE 89 HA -0.19 -0.01 0.51 -0.75 4.62 4.17 2z9oB1 PHE 89 HB2 0.12 0.08 0.19 -0.04 3.15 3.50 2z9oB1 PHE 89 HB3 0.02 -0.13 -0.01 -0.04 3.06 2.91 2z9oB1 PHE 89 HD2 -0.78 0.00 -0.03 -0.04 7.28 6.43 2z9oB1 PHE 89 HE2 -0.95 0.01 -0.04 -0.04 7.38 6.36 2z9oB1 PHE 89 HZ -0.47 0.03 -0.08 -0.04 7.32 6.76 2z9oB1 ALA 90 H 0.29 0.35 0.00 -0.55 8.40 8.49 2z9oB1 ALA 90 HA 0.20 -0.11 0.34 -0.75 4.34 4.01 2z9oB1 ALA 90 HB3 0.18 -0.00 0.10 -0.04 1.41 1.65 2z9oB1 GLY 91 H 0.09 0.02 0.03 -0.55 8.43 8.02 2z9oB1 GLY 91 HA2 0.04 -0.08 0.39 -0.51 4.01 3.85 2z9oB1 GLY 91 HA3 0.05 0.16 0.42 -0.51 4.01 4.13 2z9oB1 LYS 92 H 0.11 0.88 -0.15 -0.55 8.42 8.71 2z9oB1 LYS 92 HA 0.04 -0.02 0.62 -0.75 4.32 4.21 2z9oB1 LYS 92 HB2 0.06 0.09 0.22 -0.04 1.87 2.20 2z9oB1 LYS 92 HB3 0.19 0.03 0.29 -0.04 1.79 2.26 2z9oB1 LYS 92 HG2 0.06 0.03 0.01 -0.04 1.46 1.51 2z9oB1 LYS 92 HG3 0.03 -0.08 0.05 -0.04 1.46 1.42 2z9oB1 LYS 92 HD2 0.12 -0.00 0.02 -0.04 1.69 1.78 2z9oB1 LYS 92 HD3 0.03 -0.05 0.01 -0.04 1.68 1.63 2z9oB1 LYS 92 HE2 -0.02 -0.05 0.03 -0.04 2.99 2.91 2z9oB1 LYS 92 HE3 0.00 0.18 0.08 -0.04 2.99 3.21 2z9oB1 GLU 93 H -0.00 0.25 0.04 -0.55 8.60 8.34 2z9oB1 GLU 93 HA -0.02 -0.03 0.47 -0.75 4.29 3.96 2z9oB1 GLU 93 HB2 -0.10 -0.01 -0.06 -0.04 2.09 1.88 2z9oB1 GLU 93 HB3 -0.14 -0.01 -0.32 -0.04 1.99 1.48 2z9oB1 GLU 93 HG2 -0.01 -0.12 -0.05 -0.04 2.34 2.11 2z9oB1 GLU 93 HG3 -0.01 0.10 -0.10 -0.04 2.34 2.29 2z9oB1 VAL 94 H -0.33 0.53 0.24 -0.55 8.24 8.13 2z9oB1 VAL 94 HA -0.31 0.12 0.63 -0.75 4.13 3.82 2z9oB1 VAL 94 HB -0.52 0.07 0.16 -0.04 2.12 1.79 2z9oB1 VAL 94 HG13 -0.69 -0.02 -0.17 -0.04 0.97 0.04 2z9oB1 VAL 94 HG23 -1.21 0.01 0.01 -0.04 0.95 -0.28 2z9oB1 VAL 95 H -0.26 0.25 0.18 -0.55 8.24 7.86 2z9oB1 VAL 95 HA -0.33 0.24 1.21 -0.75 4.13 4.50 2z9oB1 VAL 95 HB -0.23 0.02 -0.23 -0.04 2.12 1.63 2z9oB1 VAL 95 HG13 0.10 0.01 -0.05 -0.04 0.97 0.98 2z9oB1 VAL 95 HG23 -0.34 -0.01 -0.30 -0.04 0.95 0.25 2z9oB1 PHE 96 H -0.02 0.78 0.29 -0.55 8.34 8.84 2z9oB1 PHE 96 HA 0.08 0.09 0.90 -0.75 4.62 4.94 2z9oB1 PHE 96 HB2 0.13 0.03 0.23 -0.04 3.15 3.50 2z9oB1 PHE 96 HB3 0.07 0.02 0.04 -0.04 3.06 3.15 2z9oB1 PHE 96 HD2 0.21 0.01 0.01 -0.04 7.28 7.46 2z9oB1 PHE 96 HE2 -0.54 -0.13 -0.04 -0.04 7.38 6.62 2z9oB1 PHE 96 HZ -1.28 0.04 -0.05 -0.04 7.32 5.99 2z9oB1 TYR 97 H 0.43 0.16 0.08 -0.55 8.29 8.41 2z9oB1 TYR 97 HA 0.13 0.12 0.60 -0.75 4.56 4.65 2z9oB1 TYR 97 HB2 0.06 -0.03 0.12 -0.04 3.06 3.17 2z9oB1 TYR 97 HB3 0.06 0.03 -0.09 -0.04 2.98 2.94 2z9oB1 TYR 97 HD2 0.03 0.01 -0.07 -0.04 7.15 7.08 2z9oB1 TYR 97 HE2 -0.03 0.01 -0.07 -0.04 6.85 6.73 2z9oB1 ARG 98 H 0.10 0.79 0.23 -0.55 8.46 9.02 2z9oB1 ARG 98 HA 0.10 0.20 0.89 -0.75 4.34 4.78 2z9oB1 ARG 98 HB2 0.04 0.02 -0.09 -0.04 1.90 1.83 2z9oB1 ARG 98 HB3 0.04 -0.26 -0.00 -0.04 1.80 1.54 2z9oB1 ARG 98 HG2 0.04 0.01 -0.06 -0.04 1.67 1.62 2z9oB1 ARG 98 HG3 0.06 -0.01 0.00 -0.04 1.67 1.69 2z9oB1 ARG 98 HD2 0.13 0.07 -0.73 -0.04 3.22 2.65 2z9oB1 ARG 98 HD3 0.10 0.03 -0.24 -0.04 3.22 3.06 2z9oB1 PRO 99 HA 0.08 0.14 0.60 -0.51 4.44 4.75 2z9oB1 PRO 99 HB2 0.05 0.05 0.01 -0.04 2.28 2.35 2z9oB1 PRO 99 HB3 0.07 0.05 0.04 -0.04 2.02 2.14 2z9oB1 PRO 99 HG2 0.05 -0.00 0.06 -0.04 2.03 2.10 2z9oB1 PRO 99 HG3 0.06 0.09 0.06 -0.04 2.03 2.19 2z9oB1 PRO 99 HD2 0.07 0.04 0.28 -0.04 3.68 4.03 2z9oB1 PRO 99 HD3 0.10 0.33 0.12 -0.04 3.65 4.17 2z9oB1 GLU 100 H 0.04 0.07 0.00 -0.55 8.60 8.17 2z9oB1 GLU 100 HA 0.03 0.19 0.66 -0.75 4.29 4.41 2z9oB1 GLU 100 HB2 0.02 0.05 0.05 -0.04 2.09 2.16 2z9oB1 GLU 100 HB3 0.03 -0.00 0.09 -0.04 1.99 2.06 2z9oB1 GLU 100 HG2 0.03 0.03 0.06 -0.04 2.34 2.41 2z9oB1 GLU 100 HG3 0.03 -0.42 0.14 -0.04 2.34 2.04 2z9oB1 GLU 101 H 0.03 -0.05 -0.08 -0.55 8.60 7.95 2z9oB1 GLU 101 HA 0.00 0.08 0.31 -0.75 4.29 3.93 2z9oB1 GLU 101 HB2 0.02 -0.09 0.03 -0.04 2.09 2.00 2z9oB1 GLU 101 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.93 2z9oB1 GLU 101 HG2 0.01 -0.04 0.03 -0.04 2.34 2.30 2z9oB1 GLU 101 HG3 0.01 0.01 0.01 -0.04 2.34 2.33 2z9oB1 ASP 102 H 0.02 0.03 -0.78 -0.55 8.40 7.13 2z9oB1 ASP 102 HA -0.00 0.14 0.61 -0.75 4.63 4.62 2z9oB1 ASP 102 HB2 0.03 0.61 0.35 -0.04 2.71 3.65 2z9oB1 ASP 102 HB3 0.03 -0.43 0.17 -0.04 2.70 2.43 2z9oB1 ALA 103 H 0.01 0.53 0.15 -0.55 8.40 8.55 2z9oB1 ALA 103 HA 0.01 0.02 0.50 -0.75 4.34 4.12 2z9oB1 ALA 103 HB3 0.00 0.02 -0.04 -0.04 1.41 1.36 2z9oB1 GLY 104 H 0.01 0.10 0.13 -0.55 8.43 8.12 2z9oB1 GLY 104 HA2 0.01 0.02 0.35 -0.51 4.01 3.88 2z9oB1 GLY 104 HA3 0.01 0.02 0.48 -0.51 4.01 4.01 2z9oB1 ASP 105 H 0.01 0.10 0.18 -0.55 8.40 8.14 2z9oB1 ASP 105 HA 0.02 0.06 0.36 -0.75 4.63 4.31 2z9oB1 ASP 105 HB2 0.02 0.02 0.10 -0.04 2.71 2.81 2z9oB1 ASP 105 HB3 0.01 -0.04 0.15 -0.04 2.70 2.79 2z9oB1 GLU 106 H 0.02 0.03 -0.36 -0.55 8.60 7.75 2z9oB1 GLU 106 HA 0.04 -0.02 0.45 -0.75 4.29 4.01 2z9oB1 GLU 106 HB2 0.01 0.20 0.12 -0.04 2.09 2.38 2z9oB1 GLU 106 HB3 0.01 0.04 -0.01 -0.04 1.99 1.98 2z9oB1 GLU 106 HG2 0.02 -0.01 0.01 -0.04 2.34 2.32 2z9oB1 GLU 106 HG3 0.01 -0.15 0.07 -0.04 2.34 2.22 2z9oB1 LYS 107 H 0.08 0.10 0.20 -0.55 8.42 8.24 2z9oB1 LYS 107 HA 0.07 0.13 0.72 -0.75 4.32 4.48 2z9oB1 GLY 108 H 0.05 0.29 0.19 -0.55 8.43 8.42 2z9oB1 GLY 108 HA2 -0.12 0.15 0.73 -0.51 4.01 4.27 2z9oB1 GLY 108 HA3 -0.04 0.01 0.20 -0.51 4.01 3.68 2z9oB1 TYR 109 H -0.41 0.25 0.20 -0.55 8.29 7.78 2z9oB1 TYR 109 HA -0.13 0.21 0.75 -0.75 4.56 4.63 2z9oB1 TYR 109 HB2 -0.36 -0.10 -0.08 -0.04 3.06 2.48 2z9oB1 TYR 109 HB3 -0.47 0.06 -0.30 -0.04 2.98 2.23 2z9oB1 TYR 109 HD2 -0.19 -0.01 -0.30 -0.04 7.15 6.60 2z9oB1 TYR 109 HE2 -0.12 0.00 -0.05 -0.04 6.85 6.64 2z9oB1 GLU 110 H 0.12 0.29 0.01 -0.55 8.60 8.47 2z9oB1 GLU 110 HA -0.03 0.09 0.60 -0.75 4.29 4.19 2z9oB1 GLU 110 HB2 0.15 0.04 -0.17 -0.04 2.09 2.06 2z9oB1 GLU 110 HB3 0.43 -0.03 0.16 -0.04 1.99 2.51 2z9oB1 GLU 110 HG2 0.45 0.02 -0.04 -0.04 2.34 2.73 2z9oB1 GLU 110 HG3 0.09 0.03 0.11 -0.04 2.34 2.53 2z9oB1 SER 111 H -0.29 0.20 0.13 -0.55 8.46 7.95 2z9oB1 SER 111 HA -0.33 0.24 1.12 -0.75 4.49 4.76 2z9oB1 SER 111 HB2 -0.35 -0.07 -0.13 -0.04 3.95 3.36 2z9oB1 SER 111 HB3 -0.29 -0.01 -0.01 -0.04 3.93 3.58 2z9oB1 PHE 112 H -0.18 0.86 0.25 -0.55 8.34 8.73 2z9oB1 PHE 112 HA -0.15 0.14 0.78 -0.75 4.62 4.64 2z9oB1 PHE 112 HB2 -0.18 -0.02 -0.01 -0.04 3.15 2.89 2z9oB1 PHE 112 HB3 -0.11 0.01 -0.01 -0.04 3.06 2.90 2z9oB1 PHE 112 HD2 -0.40 0.05 -0.08 -0.04 7.28 6.82 2z9oB1 PHE 112 HE2 0.13 0.01 -0.13 -0.04 7.38 7.35 2z9oB1 PHE 112 HZ 0.23 -0.02 -0.09 -0.04 7.32 7.40 2z9oB1 PRO 113 HA -0.04 0.00 0.50 -0.51 4.44 4.40 2z9oB1 PRO 113 HB2 0.07 0.05 0.04 -0.04 2.28 2.39 2z9oB1 PRO 113 HB3 0.01 -0.01 0.10 -0.04 2.02 2.08 2z9oB1 PRO 113 HG2 0.06 0.10 0.03 -0.04 2.03 2.18 2z9oB1 PRO 113 HG3 0.02 0.04 0.09 -0.04 2.03 2.14 2z9oB1 PRO 113 HD2 -0.01 0.09 0.22 -0.04 3.68 3.94 2z9oB1 PRO 113 HD3 -0.08 0.12 0.12 -0.04 3.65 3.76 2z9oB1 TRP 114 H 0.09 0.23 0.12 -0.55 7.97 7.87 2z9oB1 TRP 114 HA -0.17 0.06 0.38 -0.75 4.62 4.13 2z9oB1 TRP 114 HB2 -0.68 -0.01 0.01 -0.04 3.23 2.50 2z9oB1 TRP 114 HB3 -1.52 -0.04 -0.09 -0.04 3.23 1.53 2z9oB1 TRP 114 HD1 0.03 0.43 0.12 -0.04 7.22 7.76 2z9oB1 TRP 114 HE1 0.12 0.09 0.04 -0.04 10.20 10.41 2z9oB1 TRP 114 HE3 -0.13 -0.07 -0.01 -0.04 7.59 7.35 2z9oB1 TRP 114 HZ2 0.11 0.05 -0.06 -0.04 7.44 7.50 2z9oB1 TRP 114 HZ3 0.06 -0.01 -0.03 -0.04 7.13 7.11 2z9oB1 TRP 114 HH2 0.00 0.05 -0.02 -0.04 7.19 7.18 2z9oB1 PHE 115 H -0.02 0.07 -0.18 -0.55 8.34 7.66 2z9oB1 PHE 115 HA 0.15 0.19 0.97 -0.75 4.62 5.17 2z9oB1 PHE 115 HB2 0.10 -0.01 -0.22 -0.04 3.15 2.98 2z9oB1 PHE 115 HB3 0.06 -0.05 -0.11 -0.04 3.06 2.92 2z9oB1 PHE 115 HD2 0.10 0.02 -0.23 -0.04 7.28 7.13 2z9oB1 PHE 115 HE2 0.06 0.06 -0.09 -0.04 7.38 7.37 2z9oB1 PHE 115 HZ -0.72 0.03 -0.10 -0.04 7.32 6.48 2z9oB1 ILE 116 H 0.27 0.63 0.24 -0.55 8.25 8.84 2z9oB1 ILE 116 HA 0.13 0.12 0.73 -0.75 4.18 4.41 2z9oB1 ILE 116 HB 0.18 0.03 0.12 -0.04 1.89 2.17 2z9oB1 ILE 116 HG12 0.17 0.04 -0.13 -0.04 1.49 1.54 2z9oB1 ILE 116 HG13 0.14 0.01 0.06 -0.04 1.21 1.39 2z9oB1 ILE 116 HG23 0.11 -0.02 -0.07 -0.04 0.93 0.91 2z9oB1 ILE 116 HD13 0.14 -0.01 0.02 -0.04 0.88 0.99 2z9oB1 LYS 117 H 0.10 0.19 0.22 -0.55 8.42 8.38 2z9oB1 LYS 117 HA -0.02 0.18 0.82 -0.75 4.32 4.54 2z9oB1 LYS 117 HB2 -0.05 0.07 -0.09 -0.04 1.87 1.76 2z9oB1 LYS 117 HB3 -0.36 -0.04 0.05 -0.04 1.79 1.40 2z9oB1 LYS 117 HG2 -0.44 -0.04 -0.41 -0.04 1.46 0.53 2z9oB1 LYS 117 HG3 -0.15 0.06 -0.02 -0.04 1.46 1.31 2z9oB1 LYS 117 HD2 -0.05 0.02 -0.05 -0.04 1.69 1.56 2z9oB1 LYS 117 HD3 -0.31 -0.02 -0.09 -0.04 1.68 1.22 2z9oB1 LYS 117 HE2 -0.15 -0.04 -0.14 -0.04 2.99 2.62 2z9oB1 LYS 117 HE3 -0.08 0.03 -0.07 -0.04 2.99 2.82 2z9oB1 ARG 118 H -0.04 0.25 0.13 -0.55 8.46 8.25 2z9oB1 ARG 118 HA -0.20 0.20 0.94 -0.75 4.34 4.53 2z9oB1 ARG 118 HB2 0.01 -0.02 -0.08 -0.04 1.90 1.76 2z9oB1 ARG 118 HB3 0.04 -0.00 0.00 -0.04 1.80 1.80 2z9oB1 ARG 118 HG2 0.00 0.01 -0.11 -0.04 1.67 1.53 2z9oB1 ARG 118 HG3 -0.11 0.08 0.12 -0.04 1.67 1.72 2z9oB1 ARG 118 HD2 0.11 -0.03 -0.11 -0.04 3.22 3.15 2z9oB1 ARG 118 HD3 0.15 0.05 -0.06 -0.04 3.22 3.32 2z9oB1 ALA 119 H -0.07 0.55 0.24 -0.55 8.40 8.57 2z9oB1 ALA 119 HA -0.04 0.06 0.40 -0.75 4.34 4.01 2z9oB1 ALA 119 HB3 -0.08 0.05 -0.07 -0.04 1.41 1.27 2z9oB1 HIS 120 H -0.07 0.34 0.22 -0.55 8.41 8.36 2z9oB1 HIS 120 HA -0.45 0.19 0.89 -0.75 4.63 4.51 2z9oB1 HIS 120 HB2 -0.87 0.06 -0.08 -0.04 3.26 2.33 2z9oB1 HIS 120 HB3 -0.35 0.00 0.07 -0.04 3.20 2.88 2z9oB1 HIS 120 HD2 -0.52 0.02 -0.11 -0.04 6.97 6.32 2z9oB1 HIS 120 HE1 -0.05 0.01 -0.02 -0.04 7.75 7.64 2z9oB1 SER 121 H -0.01 0.50 0.12 -0.55 8.46 8.52 2z9oB1 SER 121 HA -0.25 0.24 0.91 -0.75 4.49 4.64 2z9oB1 SER 121 HB2 -0.08 -0.01 0.14 -0.04 3.95 3.96 2z9oB1 SER 121 HB3 -0.08 0.08 -0.08 -0.04 3.93 3.80 2z9oB1 PRO 122 HA 0.02 -0.03 0.40 -0.51 4.44 4.31 2z9oB1 PRO 122 HB2 -0.10 0.09 -0.03 -0.04 2.28 2.20 2z9oB1 PRO 122 HB3 -0.13 0.04 0.10 -0.04 2.02 1.98 2z9oB1 PRO 122 HG2 -0.24 0.02 0.01 -0.04 2.03 1.79 2z9oB1 PRO 122 HG3 -0.34 0.10 0.02 -0.04 2.03 1.77 2z9oB1 PRO 122 HD2 -0.60 0.28 -0.03 -0.04 3.68 3.29 2z9oB1 PRO 122 HD3 -2.18 0.11 -0.05 -0.04 3.65 1.49 2z9oB1 SER 123 H -0.11 0.08 -0.48 -0.55 8.46 7.41 2z9oB1 SER 123 HA -0.03 0.04 0.39 -0.75 4.49 4.14 2z9oB1 ARG 124 H -0.03 1.05 -0.10 -0.55 8.46 8.83 2z9oB1 ARG 124 HA 0.03 0.20 0.83 -0.75 4.34 4.63 2z9oB1 GLY 125 H 0.03 0.82 -0.18 -0.55 8.43 8.56 2z9oB1 GLY 125 HA2 0.14 -0.05 0.30 -0.51 4.01 3.89 2z9oB1 GLY 125 HA3 0.10 -0.01 0.35 -0.51 4.01 3.93 2z9oB1 LEU 126 H 0.08 0.07 -0.46 -0.55 8.37 7.51 2z9oB1 LEU 126 HA 0.08 0.16 1.15 -0.75 4.35 4.98 2z9oB1 LEU 126 HB2 -0.05 0.00 -0.02 -0.04 1.64 1.53 2z9oB1 LEU 126 HB3 0.00 0.06 -0.00 -0.04 1.64 1.66 2z9oB1 LEU 126 HG -0.21 -0.04 -0.15 -0.04 1.64 1.20 2z9oB1 LEU 126 HD13 -0.26 -0.00 -0.11 -0.04 0.93 0.52 2z9oB1 LEU 126 HD23 -0.04 -0.02 -0.46 -0.04 0.89 0.33 2z9oB1 TYR 127 H 0.13 0.77 0.39 -0.55 8.29 9.03 2z9oB1 TYR 127 HA -0.02 0.14 1.12 -0.75 4.56 5.05 2z9oB1 TYR 127 HB2 -0.11 -0.05 0.19 -0.04 3.06 3.04 2z9oB1 TYR 127 HB3 -0.10 0.14 0.04 -0.04 2.98 3.02 2z9oB1 TYR 127 HD2 -0.20 0.02 -0.12 -0.04 7.15 6.82 2z9oB1 TYR 127 HE2 -0.39 -0.02 -0.04 -0.04 6.85 6.36 2z9oB1 SER 128 H -0.02 0.21 0.10 -0.55 8.46 8.21 2z9oB1 SER 128 HA -0.04 0.27 0.93 -0.75 4.49 4.89 2z9oB1 SER 128 HB2 -0.01 0.03 0.04 -0.04 3.95 3.97 2z9oB1 SER 128 HB3 -0.02 -0.04 -0.00 -0.04 3.93 3.82 2z9oB1 VAL 129 H -0.04 0.45 0.37 -0.55 8.24 8.47 2z9oB1 VAL 129 HA -0.29 0.11 0.76 -0.75 4.13 3.95 2z9oB1 VAL 129 HB -0.44 0.01 -0.16 -0.04 2.12 1.49 2z9oB1 VAL 129 HG13 -0.89 -0.03 -0.22 -0.04 0.97 -0.21 2z9oB1 VAL 129 HG23 -0.41 0.04 -0.17 -0.04 0.95 0.37 2z9oB1 HIS 130 H -0.07 0.34 0.22 -0.55 8.41 8.35 2z9oB1 HIS 130 HA -0.09 0.23 1.08 -0.75 4.63 5.09 2z9oB1 HIS 130 HB2 0.03 -0.29 0.29 -0.04 3.26 3.25 2z9oB1 HIS 130 HB3 0.01 0.11 0.05 -0.04 3.20 3.31 2z9oB1 HIS 130 HD2 0.00 -0.01 -0.04 -0.04 6.97 6.88 2z9oB1 HIS 130 HE1 -0.05 -0.03 -0.10 -0.04 7.75 7.54 2z9oB1 ILE 131 H 0.00 0.45 0.18 -0.55 8.25 8.34 2z9oB1 ILE 131 HA 0.41 0.04 0.42 -0.75 4.18 4.29 2z9oB1 ILE 131 HB -0.09 0.04 0.10 -0.04 1.89 1.90 2z9oB1 ILE 131 HG12 0.22 -0.03 -0.03 -0.04 1.49 1.61 2z9oB1 ILE 131 HG13 -0.14 0.02 -0.00 -0.04 1.21 1.05 2z9oB1 ILE 131 HG23 0.06 0.06 -0.13 -0.04 0.93 0.87 2z9oB1 ILE 131 HD13 -0.65 -0.01 -0.07 -0.04 0.88 0.11 2z9oB1 ASN 132 H 0.22 0.74 0.39 -0.55 8.53 9.33 2z9oB1 ASN 132 HA 0.17 0.05 0.40 -0.75 4.76 4.62 2z9oB1 ASN 132 HB2 0.13 0.30 -0.13 -0.04 2.88 3.14 2z9oB1 ASN 132 HB3 0.14 -0.11 0.11 -0.04 2.79 2.88 2z9oB1 ASN 132 HD21 0.16 -0.06 0.01 -0.04 7.03 7.09 2z9oB1 ASN 132 HD22 0.13 0.39 -0.06 -0.04 7.74 8.15 2z9oB1 PRO 133 HA 0.04 0.09 0.41 -0.51 4.44 4.47 2z9oB1 PRO 133 HB2 0.01 0.03 0.03 -0.04 2.28 2.30 2z9oB1 PRO 133 HB3 0.04 0.06 0.14 -0.04 2.02 2.21 2z9oB1 PRO 133 HG2 0.32 -0.03 0.08 -0.04 2.03 2.35 2z9oB1 PRO 133 HG3 0.15 0.05 0.09 -0.04 2.03 2.28 2z9oB1 PRO 133 HD2 0.21 0.06 0.22 -0.04 3.68 4.14 2z9oB1 PRO 133 HD3 0.13 0.18 0.24 -0.04 3.65 4.16 2z9oB1 TYR 134 H 0.42 0.12 -0.31 -0.55 8.29 7.96 2z9oB1 TYR 134 HA -0.01 0.07 0.35 -0.75 4.56 4.22 2z9oB1 TYR 134 HB2 0.04 0.01 -0.03 -0.04 3.06 3.03 2z9oB1 TYR 134 HB3 -0.47 0.02 -0.04 -0.04 2.98 2.45 2z9oB1 TYR 134 HD2 0.02 -0.03 0.01 -0.04 7.15 7.10 2z9oB1 TYR 134 HE2 0.18 -0.00 0.00 -0.04 6.85 6.99 2z9oB1 LEU 135 H 0.18 0.56 -0.46 -0.55 8.37 8.11 2z9oB1 LEU 135 HA 0.46 0.12 0.83 -0.75 4.35 5.00 2z9oB1 LEU 135 HB2 0.16 0.12 0.06 -0.04 1.64 1.94 2z9oB1 LEU 135 HB3 0.34 -0.02 -0.04 -0.04 1.64 1.88 2z9oB1 LEU 135 HG -0.24 -0.07 -0.03 -0.04 1.64 1.26 2z9oB1 LEU 135 HD13 -0.12 0.01 -0.23 -0.04 0.93 0.54 2z9oB1 LEU 135 HD23 -0.38 0.04 -0.06 -0.04 0.89 0.45 2z9oB1 ILE 136 H 0.12 0.28 -0.17 -0.55 8.25 7.93 2z9oB1 ILE 136 HA -0.06 -0.01 0.27 -0.75 4.18 3.62 2z9oB1 ILE 136 HB -0.01 0.18 0.15 -0.04 1.89 2.16 2z9oB1 ILE 136 HG12 -0.12 -0.04 -0.07 -0.04 1.49 1.23 2z9oB1 ILE 136 HG13 0.01 0.10 -0.05 -0.04 1.21 1.24 2z9oB1 ILE 136 HG23 -0.07 -0.02 -0.20 -0.04 0.93 0.60 2z9oB1 ILE 136 HD13 -0.04 0.00 -0.03 -0.04 0.88 0.77 2z9oB1 PRO 137 HA -0.06 0.04 0.38 -0.51 4.44 4.29 2z9oB1 PRO 137 HB2 -0.53 0.01 -0.02 -0.04 2.28 1.70 2z9oB1 PRO 137 HB3 -0.22 0.01 0.06 -0.04 2.02 1.83 2z9oB1 PRO 137 HG2 -0.26 0.09 -0.12 -0.04 2.03 1.71 2z9oB1 PRO 137 HG3 -0.22 0.02 0.00 -0.04 2.03 1.79 2z9oB1 PRO 137 HD2 0.01 0.26 -0.12 -0.04 3.68 3.80 2z9oB1 PRO 137 HD3 -0.07 0.07 0.07 -0.04 3.65 3.68 2z9oB1 PHE 138 H -0.15 0.17 -0.27 -0.55 8.34 7.54 2z9oB1 PHE 138 HA 0.04 -0.03 0.22 -0.75 4.62 4.10 2z9oB1 PHE 138 HB2 0.08 0.21 0.02 -0.04 3.15 3.43 2z9oB1 PHE 138 HB3 0.03 -0.10 -0.01 -0.04 3.06 2.93 2z9oB1 PHE 138 HD2 0.02 0.03 0.04 -0.04 7.28 7.33 2z9oB1 PHE 138 HE2 -0.18 0.09 0.03 -0.04 7.38 7.29 2z9oB1 PHE 138 HZ -0.44 -0.02 -0.00 -0.04 7.32 6.82 2z9oB1 PHE 139 H 0.53 0.64 -0.45 -0.55 8.34 8.51 2z9oB1 PHE 139 HA 0.17 -0.05 0.43 -0.75 4.62 4.41 2z9oB1 PHE 139 HB2 0.08 0.32 0.18 -0.04 3.15 3.70 2z9oB1 PHE 139 HB3 0.08 0.02 -0.01 -0.04 3.06 3.11 2z9oB1 PHE 139 HD2 0.15 0.20 -0.03 -0.04 7.28 7.55 2z9oB1 PHE 139 HE2 0.25 -0.03 -0.11 -0.04 7.38 7.44 2z9oB1 PHE 139 HZ 0.47 -0.04 -0.06 -0.04 7.32 7.66 2z9oB1 ILE 140 H 0.16 0.57 0.00 -0.55 8.25 8.44 2z9oB1 ILE 140 HA 0.10 0.09 0.39 -0.75 4.18 4.00 2z9oB1 GLY 141 H 0.10 0.28 -0.29 -0.55 8.43 7.97 2z9oB1 GLY 141 HA2 0.08 0.12 0.76 -0.51 4.01 4.46 2z9oB1 GLY 141 HA3 0.08 0.11 0.24 -0.51 4.01 3.92 2z9oB1 LEU 142 H 0.09 0.32 -0.16 -0.55 8.37 8.07 2z9oB1 LEU 142 HA 0.06 0.04 0.51 -0.75 4.35 4.20 2z9oB1 LEU 142 HB2 -0.08 0.02 0.01 -0.04 1.64 1.55 2z9oB1 LEU 142 HB3 -0.09 0.10 0.22 -0.04 1.64 1.83 2z9oB1 LEU 142 HG 0.05 -0.01 -0.09 -0.04 1.64 1.55 2z9oB1 LEU 142 HD13 0.06 -0.01 0.04 -0.04 0.93 0.98 2z9oB1 LEU 142 HD23 -0.66 -0.02 -0.05 -0.04 0.89 0.12 2z9oB1 GLN 143 H 0.11 0.70 -0.09 -0.55 8.47 8.65 2z9oB1 GLN 143 HA 0.06 0.01 0.48 -0.75 4.36 4.15 2z9oB1 GLN 143 HB2 0.09 0.12 0.08 -0.04 2.15 2.40 2z9oB1 GLN 143 HB3 0.07 0.10 0.04 -0.04 2.02 2.20 2z9oB1 GLN 143 HG2 -0.06 -0.15 0.05 -0.04 2.40 2.21 2z9oB1 GLN 143 HG3 -0.01 0.21 -0.02 -0.04 2.39 2.53 2z9oB1 GLN 143 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 2z9oB1 GLN 143 HE22 -0.05 -0.03 -0.03 -0.04 7.69 7.54 2z9oB1 ASN 144 H 0.11 0.16 -0.39 -0.55 8.53 7.86 2z9oB1 ASN 144 HA 0.14 -0.02 0.39 -0.75 4.76 4.52 2z9oB1 ARG 145 H 0.19 0.28 -1.09 -0.55 8.46 7.28 2z9oB1 ARG 145 HA 0.18 0.10 0.51 -0.75 4.34 4.37 2z9oB1 ARG 145 HB2 0.10 0.35 0.18 -0.04 1.90 2.49 2z9oB1 ARG 145 HB3 -0.11 -0.08 -0.07 -0.04 1.80 1.49 2z9oB1 ARG 145 HG2 -0.04 -0.04 0.02 -0.04 1.67 1.57 2z9oB1 ARG 145 HG3 -0.07 -0.02 -0.01 -0.04 1.67 1.53 2z9oB1 ARG 145 HD2 -0.06 -0.04 -0.23 -0.04 3.22 2.84 2z9oB1 ARG 145 HD3 -0.02 0.08 0.01 -0.04 3.22 3.25 2z9oB1 PHE 146 H 0.60 0.35 0.05 -0.55 8.34 8.79 2z9oB1 PHE 146 HA 0.09 -0.49 0.60 -0.75 4.62 4.05 2z9oB1 PHE 146 HB2 0.00 0.12 0.11 -0.04 3.15 3.34 2z9oB1 PHE 146 HB3 0.14 -0.01 0.06 -0.04 3.06 3.21 2z9oB1 PHE 146 HD2 0.15 0.04 0.09 -0.04 7.28 7.52 2z9oB1 PHE 146 HE2 0.08 0.06 -0.08 -0.04 7.38 7.40 2z9oB1 PHE 146 HZ 0.03 -0.00 -0.14 -0.04 7.32 7.17 2z9oB1 THR 147 H 0.25 0.31 -0.22 -0.55 8.28 8.07 2z9oB1 THR 147 HA 0.14 0.03 0.31 -0.75 4.39 4.11 2z9oB1 THR 147 HB 0.16 -0.01 0.13 -0.04 4.32 4.56 2z9oB1 THR 147 HG23 0.09 0.00 -0.03 -0.04 1.22 1.23 2z9oB1 GLN 148 H 0.20 0.38 0.07 -0.55 8.47 8.58 2z9oB1 GLN 148 HA 0.00 0.06 0.40 -0.75 4.36 4.06 2z9oB1 GLN 148 HB2 0.22 0.07 0.08 -0.04 2.15 2.48 2z9oB1 GLN 148 HB3 -0.17 0.00 0.07 -0.04 2.02 1.88 2z9oB1 GLN 148 HG2 0.18 0.07 0.19 -0.04 2.40 2.80 2z9oB1 GLN 148 HG3 0.14 -0.02 0.07 -0.04 2.39 2.55 2z9oB1 GLN 148 HE21 0.05 -0.03 -0.01 -0.04 6.97 6.94 2z9oB1 GLN 148 HE22 0.09 0.00 0.04 -0.04 7.69 7.78 2z9oB1 PHE 149 H 0.50 0.19 -0.16 -0.55 8.34 8.32 2z9oB1 PHE 149 HA 0.03 0.23 0.86 -0.75 4.62 4.98 2z9oB1 PHE 149 HB2 0.12 0.05 0.07 -0.04 3.15 3.35 2z9oB1 PHE 149 HB3 0.25 -0.03 0.08 -0.04 3.06 3.32 2z9oB1 PHE 149 HD2 0.04 0.01 0.02 -0.04 7.28 7.31 2z9oB1 PHE 149 HE2 0.01 0.05 0.03 -0.04 7.38 7.43 2z9oB1 PHE 149 HZ 0.03 -0.04 -0.05 -0.04 7.32 7.22 2z9oB1 ARG 150 H 0.15 0.27 -0.61 -0.55 8.46 7.71 2z9oB1 ARG 150 HA 0.12 0.23 0.45 -0.75 4.34 4.37 2z9oB1 ARG 150 HB2 0.10 0.11 -0.02 -0.04 1.90 2.05 2z9oB1 ARG 150 HB3 0.07 -0.13 0.11 -0.04 1.80 1.80 2z9oB1 ARG 150 HG2 0.07 0.01 0.03 -0.04 1.67 1.74 2z9oB1 ARG 150 HG3 0.04 0.11 -0.26 -0.04 1.67 1.52 2z9oB1 ARG 150 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 2z9oB1 ARG 150 HD3 0.02 0.04 -0.07 -0.04 3.22 3.17 2z9oB1 LEU 151 H -0.11 0.10 0.03 -0.55 8.37 7.84 2z9oB1 LEU 151 HA -0.25 0.21 0.47 -0.75 4.35 4.02 2z9oB1 LEU 151 HB2 -0.51 0.06 -0.20 -0.04 1.64 0.95 2z9oB1 LEU 151 HB3 -1.36 -0.13 -0.11 -0.04 1.64 0.00 2z9oB1 LEU 151 HG -0.69 0.03 -0.28 -0.04 1.64 0.66 2z9oB1 LEU 151 HD13 -1.00 0.02 -0.06 -0.04 0.93 -0.15 2z9oB1 LEU 151 HD23 -0.77 -0.02 -0.12 -0.04 0.89 -0.06 2z9oB1 SER 152 H -0.13 0.04 -0.04 -0.55 8.46 7.79 2z9oB1 SER 152 HA 0.06 0.07 0.23 -0.75 4.49 4.10 2z9oB1 SER 152 HB2 0.77 -0.07 0.08 -0.04 3.95 4.69 2z9oB1 SER 152 HB3 0.23 0.05 -0.08 -0.04 3.93 4.09 2z9oB1 GLU 153 H -0.03 0.20 -1.09 -0.55 8.60 7.13 2z9oB1 GLU 153 HA -0.00 0.12 0.84 -0.75 4.29 4.50 2z9oB1 GLU 153 HB2 0.02 0.16 -0.01 -0.04 2.09 2.22 2z9oB1 GLU 153 HB3 0.01 -0.06 0.09 -0.04 1.99 2.00 2z9oB1 GLU 153 HG2 0.02 -0.02 -0.04 -0.04 2.34 2.26 2z9oB1 GLU 153 HG3 0.04 -0.08 -0.34 -0.04 2.34 1.92 2z9oB1 THR 154 H -0.11 0.83 0.13 -0.55 8.28 8.58 2z9oB1 THR 154 HA -0.08 0.08 0.77 -0.75 4.39 4.40 2z9oB1 THR 154 HB -0.20 0.03 0.13 -0.04 4.32 4.24 2z9oB1 THR 154 HG23 -0.09 -0.03 0.06 -0.04 1.22 1.12 2z9oB1 LYS 155 H -0.08 0.83 0.39 -0.55 8.42 9.01 2z9oB1 LYS 155 HA -0.06 -0.05 0.49 -0.75 4.32 3.95 2z9oB1 LYS 155 HB2 -0.05 0.02 0.22 -0.04 1.87 2.02 2z9oB1 LYS 155 HB3 -0.06 0.04 0.20 -0.04 1.79 1.93 2z9oB1 LYS 155 HG2 -0.05 -0.06 0.21 -0.04 1.46 1.52 2z9oB1 LYS 155 HG3 -0.05 -0.07 0.18 -0.04 1.46 1.49 2z9oB1 LYS 155 HD2 -0.04 0.21 0.19 -0.04 1.69 2.01 2z9oB1 LYS 155 HD3 -0.04 -0.12 0.10 -0.04 1.68 1.58 2z9oB1 LYS 155 HE2 -0.03 -0.08 0.03 -0.04 2.99 2.87 2z9oB1 LYS 155 HE3 -0.04 0.08 0.03 -0.04 2.99 3.02 2z9oB1 GLU 156 H -0.06 -0.05 0.19 -0.55 8.60 8.14 2z9oB1 GLU 156 HA -0.06 0.49 0.75 -0.75 4.29 4.72 2z9oB1 GLU 156 HB2 -0.06 -0.18 0.17 -0.04 2.09 1.99 2z9oB1 GLU 156 HB3 -0.05 -0.02 0.03 -0.04 1.99 1.91 2z9oB1 GLU 156 HG2 -0.07 0.71 -0.02 -0.04 2.34 2.91 2z9oB1 GLU 156 HG3 -0.07 -0.18 0.06 -0.04 2.34 2.11 2z9oB1 ILE 157 H -0.01 0.81 0.16 -0.55 8.25 8.65 2z9oB1 ILE 157 HA -0.06 0.05 0.81 -0.75 4.18 4.23 2z9oB1 ILE 157 HB 0.03 0.00 -0.06 -0.04 1.89 1.82 2z9oB1 ILE 157 HG12 -0.09 0.04 -0.14 -0.04 1.49 1.26 2z9oB1 ILE 157 HG13 -0.04 0.13 -0.70 -0.04 1.21 0.56 2z9oB1 ILE 157 HG23 -0.13 -0.05 -0.12 -0.04 0.93 0.59 2z9oB1 ILE 157 HD13 -0.13 -0.01 -0.11 -0.04 0.88 0.59 2z9oB1 THR 158 H -0.08 0.07 0.12 -0.55 8.28 7.84 2z9oB1 THR 158 HA -0.06 0.29 0.92 -0.75 4.39 4.78 2z9oB1 THR 158 HB -0.08 -0.02 0.07 -0.04 4.32 4.25 2z9oB1 THR 158 HG23 -0.05 0.01 -0.11 -0.04 1.22 1.03 2z9oB1 ASN 159 H -0.12 0.07 0.04 -0.55 8.53 7.97 2z9oB1 ASN 159 HA -0.22 0.24 0.80 -0.75 4.76 4.83 2z9oB1 ASN 159 HB2 -0.14 0.05 0.08 -0.04 2.88 2.83 2z9oB1 ASN 159 HB3 -0.16 0.03 0.16 -0.04 2.79 2.78 2z9oB1 ASN 159 HD21 -0.07 0.08 0.03 -0.04 7.03 7.03 2z9oB1 ASN 159 HD22 -0.16 0.06 0.01 -0.04 7.74 7.62 2z9oB1 PRO 160 HA -0.18 0.13 0.36 -0.51 4.44 4.24 2z9oB1 PRO 160 HB2 -0.10 0.05 -0.00 -0.04 2.28 2.19 2z9oB1 PRO 160 HB3 -0.16 0.11 0.09 -0.04 2.02 2.02 2z9oB1 PRO 160 HG2 -0.91 -0.20 0.17 -0.04 2.03 1.06 2z9oB1 PRO 160 HG3 -0.43 0.10 0.11 -0.04 2.03 1.77 2z9oB1 PRO 160 HD2 -0.46 0.04 0.29 -0.04 3.68 3.51 2z9oB1 PRO 160 HD3 -0.26 0.35 0.28 -0.04 3.65 3.98 2z9oB1 TYR 161 H -0.50 0.18 -0.03 -0.55 8.29 7.40 2z9oB1 TYR 161 HA -0.14 0.09 0.37 -0.75 4.56 4.13 2z9oB1 TYR 161 HB2 -0.15 -0.03 0.06 -0.04 3.06 2.91 2z9oB1 TYR 161 HB3 0.07 0.03 0.04 -0.04 2.98 3.08 2z9oB1 TYR 161 HD2 -0.06 0.01 0.02 -0.04 7.15 7.08 2z9oB1 TYR 161 HE2 0.01 0.03 -0.00 -0.04 6.85 6.85 2z9oB1 ALA 162 H -0.15 0.04 -0.46 -0.55 8.40 7.29 2z9oB1 ALA 162 HA -0.28 0.02 0.32 -0.75 4.34 3.64 2z9oB1 ALA 162 HB3 -0.19 0.07 0.04 -0.04 1.41 1.29 2z9oB1 MET 163 H -0.22 0.33 -0.16 -0.55 8.47 7.87 2z9oB1 MET 163 HA -0.29 0.12 0.49 -0.75 4.52 4.09 2z9oB1 MET 163 HB2 -0.89 -0.04 0.04 -0.04 2.15 1.23 2z9oB1 MET 163 HB3 -0.59 0.03 0.01 -0.04 2.03 1.44 2z9oB1 MET 163 HG2 -0.24 -0.00 0.32 -0.04 2.63 2.67 2z9oB1 MET 163 HG3 -0.25 -0.06 0.01 -0.04 2.56 2.22 2z9oB1 MET 163 HE3 -0.12 0.03 -0.45 -0.04 2.10 1.52 2z9oB1 ARG 164 H -0.18 0.61 -0.16 -0.55 8.46 8.18 2z9oB1 ARG 164 HA -0.03 0.04 0.43 -0.75 4.34 4.03 2z9oB1 ARG 164 HB2 -0.60 -0.08 0.22 -0.04 1.90 1.40 2z9oB1 ARG 164 HB3 0.10 -0.00 0.03 -0.04 1.80 1.89 2z9oB1 ARG 164 HG2 -0.02 0.00 -0.07 -0.04 1.67 1.53 2z9oB1 ARG 164 HG3 -0.03 0.14 -0.33 -0.04 1.67 1.41 2z9oB1 ARG 164 HD2 0.17 0.03 0.02 -0.04 3.22 3.40 2z9oB1 ARG 164 HD3 0.18 0.02 -0.02 -0.04 3.22 3.37 2z9oB1 LEU 165 H -0.61 0.44 0.07 -0.55 8.37 7.73 2z9oB1 LEU 165 HA -0.06 -0.08 0.26 -0.75 4.35 3.72 2z9oB1 LEU 165 HB2 -0.31 -0.04 0.06 -0.04 1.64 1.31 2z9oB1 LEU 165 HB3 -0.30 0.19 -0.02 -0.04 1.64 1.47 2z9oB1 LEU 165 HG -0.16 -0.03 -0.06 -0.04 1.64 1.34 2z9oB1 LEU 165 HD13 0.01 -0.03 -0.05 -0.04 0.93 0.82 2z9oB1 LEU 165 HD23 -0.40 0.02 -0.22 -0.04 0.89 0.25 2z9oB1 TYR 166 H -0.02 0.10 -1.41 -0.55 8.29 6.40 2z9oB1 TYR 166 HA -0.11 -0.00 0.55 -0.75 4.56 4.25 2z9oB1 TYR 166 HB2 -0.14 0.05 0.02 -0.04 3.06 2.95 2z9oB1 TYR 166 HB3 -0.17 0.09 0.12 -0.04 2.98 2.98 2z9oB1 TYR 166 HD2 -0.04 -0.01 -0.10 -0.04 7.15 6.96 2z9oB1 TYR 166 HE2 0.12 0.00 -0.09 -0.04 6.85 6.84 2z9oB1 GLU 167 H 0.09 0.60 0.19 -0.55 8.60 8.92 2z9oB1 GLU 167 HA 0.29 0.08 0.41 -0.75 4.29 4.31 2z9oB1 GLU 167 HB2 0.09 -0.01 0.16 -0.04 2.09 2.29 2z9oB1 GLU 167 HB3 0.23 -0.06 0.02 -0.04 1.99 2.15 2z9oB1 GLU 167 HG2 0.24 0.02 0.02 -0.04 2.34 2.57 2z9oB1 GLU 167 HG3 -0.03 0.22 0.11 -0.04 2.34 2.61 2z9oB1 SER 168 H 0.10 0.36 -0.45 -0.55 8.46 7.93 2z9oB1 SER 168 HA 0.06 0.06 0.34 -0.75 4.49 4.20 2z9oB1 SER 168 HB2 0.31 0.05 0.00 -0.04 3.95 4.26 2z9oB1 SER 168 HB3 0.26 -0.04 -0.08 -0.04 3.93 4.03 2z9oB1 LEU 169 H 0.04 0.27 -0.06 -0.55 8.37 8.07 2z9oB1 LEU 169 HA 0.12 -0.06 0.26 -0.75 4.35 3.91 2z9oB1 LEU 169 HB2 -0.29 0.11 0.04 -0.04 1.64 1.46 2z9oB1 LEU 169 HB3 0.04 -0.02 -0.08 -0.04 1.64 1.54 2z9oB1 LEU 169 HG 0.12 0.06 0.15 -0.04 1.64 1.93 2z9oB1 LEU 169 HD13 -0.09 -0.02 -0.04 -0.04 0.93 0.74 2z9oB1 LEU 169 HD23 0.52 -0.04 -0.01 -0.04 0.89 1.32 2z9oB1 CYS 170 H -0.45 0.41 -0.45 -0.55 8.50 7.45 2z9oB1 CYS 170 HA -0.59 -0.01 0.17 -0.75 4.58 3.40 2z9oB1 CYS 170 HB2 -0.51 0.15 0.00 -0.04 2.97 2.58 2z9oB1 CYS 170 HB3 -0.56 0.00 -0.05 -0.04 2.97 2.32 2z9oB1 GLN 171 H -0.30 1.09 -0.37 -0.55 8.47 8.35 2z9oB1 GLN 171 HA -0.15 -0.00 0.47 -0.75 4.36 3.92 2z9oB1 GLN 171 HB2 -0.58 -0.05 0.04 -0.04 2.15 1.53 2z9oB1 GLN 171 HB3 0.04 -0.15 0.05 -0.04 2.02 1.92 2z9oB1 GLN 171 HG2 -0.07 0.55 0.31 -0.04 2.40 3.15 2z9oB1 GLN 171 HG3 -0.00 -0.23 0.06 -0.04 2.39 2.18 2z9oB1 GLN 171 HE21 0.25 -0.04 -0.03 -0.04 6.97 7.11 2z9oB1 GLN 171 HE22 0.18 -0.09 -0.05 -0.04 7.69 7.69 2z9oB1 TYR 172 H -0.17 0.60 -0.15 -0.55 8.29 8.02 2z9oB1 TYR 172 HA 0.07 0.05 0.67 -0.75 4.56 4.59 2z9oB1 TYR 172 HB2 0.26 0.04 0.14 -0.04 3.06 3.45 2z9oB1 TYR 172 HB3 0.09 -0.06 0.14 -0.04 2.98 3.10 2z9oB1 TYR 172 HD2 0.08 0.04 -0.28 -0.04 7.15 6.95 2z9oB1 TYR 172 HE2 0.02 -0.06 -0.09 -0.04 6.85 6.68 2z9oB1 ARG 173 H 0.10 0.27 -0.56 -0.55 8.46 7.72 2z9oB1 ARG 173 HA 0.25 0.14 0.26 -0.75 4.34 4.24 2z9oB1 ARG 173 HB2 0.03 -0.05 0.03 -0.04 1.90 1.87 2z9oB1 ARG 173 HB3 0.05 -0.26 0.24 -0.04 1.80 1.79 2z9oB1 ARG 173 HG2 -0.09 -0.03 0.10 -0.04 1.67 1.61 2z9oB1 ARG 173 HG3 -0.12 0.60 0.15 -0.04 1.67 2.25 2z9oB1 ARG 173 HD2 -0.12 0.06 0.09 -0.04 3.22 3.21 2z9oB1 ARG 173 HD3 -0.07 -0.05 0.07 -0.04 3.22 3.13 2z9oB1 LYS 174 H 0.09 0.28 0.19 -0.55 8.42 8.43 2z9oB1 LYS 174 HA 0.05 0.11 0.42 -0.75 4.32 4.15 2z9oB1 LYS 174 HB2 0.08 -0.07 -0.19 -0.04 1.87 1.65 2z9oB1 LYS 174 HB3 0.04 -0.14 0.08 -0.04 1.79 1.72 2z9oB1 LYS 174 HG2 0.04 -0.10 0.16 -0.04 1.46 1.52 2z9oB1 LYS 174 HG3 0.10 0.58 -0.40 -0.04 1.46 1.69 2z9oB1 LYS 174 HD2 -0.02 -0.07 0.02 -0.04 1.69 1.58 2z9oB1 LYS 174 HD3 -0.01 -0.11 -0.54 -0.04 1.68 0.99 2z9oB1 LYS 174 HE2 -0.00 0.01 0.02 -0.04 2.99 2.98 2z9oB1 LYS 174 HE3 -0.02 -0.07 -0.03 -0.04 2.99 2.82 2z9oB1 PRO 175 HA 0.02 0.12 0.46 -0.51 4.44 4.53 2z9oB1 PRO 175 HB2 0.02 -0.09 0.17 -0.04 2.28 2.33 2z9oB1 PRO 175 HB3 0.02 0.06 0.11 -0.04 2.02 2.16 2z9oB1 PRO 175 HG2 0.01 0.03 0.10 -0.04 2.03 2.14 2z9oB1 PRO 175 HG3 0.02 0.07 0.11 -0.04 2.03 2.18 2z9oB1 PRO 175 HD2 0.02 0.08 0.20 -0.04 3.68 3.94 2z9oB1 PRO 175 HD3 0.03 0.18 0.19 -0.04 3.65 4.00 2z9oB1 ASP 176 H 0.03 0.09 -0.06 -0.55 8.40 7.91 2z9oB1 ASP 176 HA 0.03 0.10 0.41 -0.75 4.63 4.42 2z9oB1 ASP 176 HB2 0.03 0.08 0.08 -0.04 2.71 2.86 2z9oB1 ASP 176 HB3 0.02 -0.01 0.09 -0.04 2.70 2.77 2z9oB1 GLY 177 H 0.06 -0.05 -0.96 -0.55 8.43 6.93 2z9oB1 GLY 177 HA2 0.08 -0.03 0.40 -0.51 4.01 3.94 2z9oB1 GLY 177 HA3 0.06 0.16 0.61 -0.51 4.01 4.33 2z9oB1 SER 178 H 0.09 -0.10 -0.38 -0.55 8.46 7.51 2z9oB1 SER 178 HA 0.31 0.10 0.49 -0.75 4.49 4.64 2z9oB1 SER 178 HB2 0.03 -0.10 0.02 -0.04 3.95 3.86 2z9oB1 SER 178 HB3 0.01 0.13 0.30 -0.04 3.93 4.33 2z9oB1 GLY 179 H -0.22 0.38 0.21 -0.55 8.43 8.26 2z9oB1 GLY 179 HA2 -0.17 -0.10 0.31 -0.51 4.01 3.55 2z9oB1 GLY 179 HA3 -0.37 0.40 0.65 -0.51 4.01 4.18 2z9oB1 ILE 180 H -0.16 0.23 0.19 -0.55 8.25 7.97 2z9oB1 ILE 180 HA -0.16 0.31 1.06 -0.75 4.18 4.63 2z9oB1 ILE 180 HB -0.06 -0.05 0.08 -0.04 1.89 1.82 2z9oB1 ILE 180 HG12 -0.07 0.08 -0.11 -0.04 1.49 1.35 2z9oB1 ILE 180 HG13 -0.10 -0.11 -0.29 -0.04 1.21 0.67 2z9oB1 ILE 180 HG23 -0.02 -0.01 -0.21 -0.04 0.93 0.65 2z9oB1 ILE 180 HD13 -0.03 -0.01 -0.05 -0.04 0.88 0.74 2z9oB1 VAL 181 H 0.04 0.72 0.30 -0.55 8.24 8.75 2z9oB1 VAL 181 HA 0.03 0.16 0.96 -0.75 4.13 4.53 2z9oB1 VAL 181 HB 0.32 -0.01 0.09 -0.04 2.12 2.48 2z9oB1 VAL 181 HG13 0.25 -0.03 -0.17 -0.04 0.97 0.98 2z9oB1 VAL 181 HG23 0.41 0.03 -0.16 -0.04 0.95 1.18 2z9oB1 SER 182 H -0.04 0.25 0.13 -0.55 8.46 8.25 2z9oB1 SER 182 HA -0.10 0.30 0.94 -0.75 4.49 4.88 2z9oB1 SER 182 HB2 -0.03 0.03 -0.09 -0.04 3.95 3.81 2z9oB1 SER 182 HB3 -0.08 0.00 0.13 -0.04 3.93 3.94 2z9oB1 LEU 183 H -0.15 0.45 0.26 -0.55 8.37 8.38 2z9oB1 LEU 183 HA -0.22 0.23 1.07 -0.75 4.35 4.67 2z9oB1 LEU 183 HB2 0.19 0.01 0.02 -0.04 1.64 1.82 2z9oB1 LEU 183 HB3 0.34 -0.02 -0.00 -0.04 1.64 1.91 2z9oB1 LEU 183 HG 0.19 -0.02 -0.25 -0.04 1.64 1.51 2z9oB1 LEU 183 HD13 0.73 0.01 -0.08 -0.04 0.93 1.56 2z9oB1 LEU 183 HD23 -0.19 0.05 -0.12 -0.04 0.89 0.59 2z9oB1 LYS 184 H -0.13 0.18 0.17 -0.55 8.42 8.08 2z9oB1 LYS 184 HA 0.02 0.19 0.58 -0.75 4.32 4.35 2z9oB1 LYS 184 HB2 -0.14 0.11 0.13 -0.04 1.87 1.92 2z9oB1 LYS 184 HB3 0.15 -0.07 0.20 -0.04 1.79 2.03 2z9oB1 LYS 184 HG2 0.10 0.07 0.02 -0.04 1.46 1.62 2z9oB1 LYS 184 HG3 0.11 -0.28 -0.05 -0.04 1.46 1.20 2z9oB1 LYS 184 HD2 0.42 0.06 -0.00 -0.04 1.69 2.13 2z9oB1 LYS 184 HD3 0.27 0.05 0.01 -0.04 1.68 1.97 2z9oB1 LYS 184 HE2 0.09 0.02 0.02 -0.04 2.99 3.08 2z9oB1 LYS 184 HE3 0.08 0.02 0.03 -0.04 2.99 3.08 2z9oB1 ILE 185 H 0.08 0.89 0.45 -0.55 8.25 9.11 2z9oB1 ILE 185 HA 0.02 0.06 0.32 -0.75 4.18 3.82 2z9oB1 ILE 185 HB -0.08 0.07 0.23 -0.04 1.89 2.07 2z9oB1 ILE 185 HG12 -0.22 -0.03 -0.05 -0.04 1.49 1.15 2z9oB1 ILE 185 HG13 -0.09 0.07 -0.18 -0.04 1.21 0.97 2z9oB1 ILE 185 HG23 -0.32 0.01 -0.21 -0.04 0.93 0.37 2z9oB1 ILE 185 HD13 -0.43 0.02 -0.15 -0.04 0.88 0.28 2z9oB1 ASP 186 H 0.04 0.11 -0.12 -0.55 8.40 7.88 2z9oB1 ASP 186 HA -0.01 0.13 0.39 -0.75 4.63 4.38 2z9oB1 ASP 186 HB2 0.06 -0.03 0.05 -0.04 2.71 2.75 2z9oB1 ASP 186 HB3 0.03 0.02 0.04 -0.04 2.70 2.75 2z9oB1 TRP 187 H 0.23 0.11 -0.44 -0.55 7.97 7.33 2z9oB1 TRP 187 HA -0.06 0.04 0.49 -0.75 4.62 4.33 2z9oB1 TRP 187 HB2 -0.05 -0.05 0.12 -0.04 3.23 3.21 2z9oB1 TRP 187 HB3 -0.06 0.11 0.19 -0.04 3.23 3.43 2z9oB1 TRP 187 HD1 -0.04 -0.00 0.03 -0.04 7.22 7.16 2z9oB1 TRP 187 HE1 -0.04 0.05 -0.01 -0.04 10.20 10.16 2z9oB1 TRP 187 HE3 -0.02 0.01 -0.19 -0.04 7.59 7.34 2z9oB1 TRP 187 HZ2 -0.02 0.06 -0.05 -0.04 7.44 7.39 2z9oB1 TRP 187 HZ3 0.08 0.02 -0.11 -0.04 7.13 7.08 2z9oB1 TRP 187 HH2 0.01 0.06 -0.09 -0.04 7.19 7.12 2z9oB1 ILE 188 H 0.23 0.69 -0.04 -0.55 8.25 8.57 2z9oB1 ILE 188 HA -0.61 0.05 0.38 -0.75 4.18 3.25 2z9oB1 ILE 188 HB 0.47 -0.00 0.10 -0.04 1.89 2.41 2z9oB1 ILE 188 HG12 0.17 0.07 0.06 -0.04 1.49 1.74 2z9oB1 ILE 188 HG13 0.20 0.05 -0.18 -0.04 1.21 1.24 2z9oB1 ILE 188 HG23 0.58 0.01 -0.13 -0.04 0.93 1.36 2z9oB1 ILE 188 HD13 0.41 -0.02 -0.11 -0.04 0.88 1.12 2z9oB1 ILE 189 H -0.24 0.06 -1.41 -0.55 8.25 6.12 2z9oB1 ILE 189 HA -0.17 0.16 0.85 -0.75 4.18 4.27 2z9oB1 ILE 189 HB -0.06 0.22 0.13 -0.04 1.89 2.13 2z9oB1 ILE 189 HG12 0.00 -0.02 -0.11 -0.04 1.49 1.32 2z9oB1 ILE 189 HG13 0.04 0.25 -0.26 -0.04 1.21 1.20 2z9oB1 ILE 189 HG23 -0.06 -0.01 -0.25 -0.04 0.93 0.57 2z9oB1 ILE 189 HD13 0.04 -0.02 -0.16 -0.04 0.88 0.69 2z9oB1 GLU 190 H -0.18 0.48 0.23 -0.55 8.60 8.58 2z9oB1 GLU 190 HA -0.12 0.08 0.51 -0.75 4.29 4.01 2z9oB1 GLU 190 HB2 -0.08 0.00 0.15 -0.04 2.09 2.12 2z9oB1 GLU 190 HB3 -0.16 0.02 0.21 -0.04 1.99 2.02 2z9oB1 GLU 190 HG2 -0.05 -0.02 0.01 -0.04 2.34 2.23 2z9oB1 GLU 190 HG3 -0.13 0.03 -0.20 -0.04 2.34 2.00 2z9oB1 ARG 191 H -0.72 0.53 -0.01 -0.55 8.46 7.71 2z9oB1 ARG 191 HA -0.42 0.08 0.41 -0.75 4.34 3.66 2z9oB1 ARG 191 HB2 -2.07 0.30 0.13 -0.04 1.90 0.21 2z9oB1 ARG 191 HB3 -1.47 -0.01 -0.11 -0.04 1.80 0.17 2z9oB1 ARG 191 HG2 -0.74 -0.06 0.02 -0.04 1.67 0.85 2z9oB1 ARG 191 HG3 -0.88 -0.02 -0.03 -0.04 1.67 0.71 2z9oB1 ARG 191 HD2 -0.18 0.01 0.02 -0.04 3.22 3.03 2z9oB1 ARG 191 HD3 0.06 -0.01 -0.01 -0.04 3.22 3.22 2z9oB1 TYR 192 H -0.34 0.13 -0.71 -0.55 8.29 6.82 2z9oB1 TYR 192 HA -0.11 0.21 0.81 -0.75 4.56 4.72 2z9oB1 TYR 192 HB2 -0.25 0.09 -0.09 -0.04 3.06 2.77 2z9oB1 TYR 192 HB3 -0.07 -0.06 0.10 -0.04 2.98 2.91 2z9oB1 TYR 192 HD2 -0.11 0.26 -0.06 -0.04 7.15 7.21 2z9oB1 TYR 192 HE2 0.12 0.02 -0.17 -0.04 6.85 6.78 2z9oB1 GLN 193 H -0.11 0.23 -0.26 -0.55 8.47 7.78 2z9oB1 GLN 193 HA -0.05 0.01 0.31 -0.75 4.36 3.87 2z9oB1 GLN 193 HB2 0.06 0.10 -0.29 -0.04 2.15 1.98 2z9oB1 GLN 193 HB3 0.03 -0.07 0.13 -0.04 2.02 2.07 2z9oB1 GLN 193 HG2 -0.01 0.06 -0.20 -0.04 2.40 2.20 2z9oB1 GLN 193 HG3 0.03 -0.05 -0.10 -0.04 2.39 2.23 2z9oB1 GLN 193 HE21 -0.03 -0.11 0.05 -0.04 6.97 6.84 2z9oB1 GLN 193 HE22 -0.06 0.40 0.13 -0.04 7.69 8.11 2z9oB1 LEU 194 H -0.18 0.16 -0.34 -0.55 8.37 7.46 2z9oB1 LEU 194 HA -0.59 0.06 0.37 -0.75 4.35 3.43 2z9oB1 LEU 194 HB2 -0.24 -0.07 0.06 -0.04 1.64 1.35 2z9oB1 LEU 194 HB3 -0.22 0.03 -0.08 -0.04 1.64 1.32 2z9oB1 LEU 194 HG -0.85 -0.05 0.03 -0.04 1.64 0.72 2z9oB1 LEU 194 HD13 -0.48 0.01 -0.05 -0.04 0.93 0.36 2z9oB1 LEU 194 HD23 -1.28 0.03 0.03 -0.04 0.89 -0.37 2z9oB1 PRO 195 HA 0.07 0.08 0.46 -0.51 4.44 4.54 2z9oB1 PRO 195 HB2 0.18 -0.07 -0.02 -0.04 2.28 2.33 2z9oB1 PRO 195 HB3 0.08 -0.00 0.08 -0.04 2.02 2.13 2z9oB1 PRO 195 HG2 0.43 0.03 0.06 -0.04 2.03 2.51 2z9oB1 PRO 195 HG3 0.21 0.11 0.08 -0.04 2.03 2.40 2z9oB1 PRO 195 HD2 0.13 0.05 0.16 -0.04 3.68 3.98 2z9oB1 PRO 195 HD3 -0.20 0.23 0.21 -0.04 3.65 3.85 2z9oB1 GLN 196 H 0.02 0.18 0.15 -0.55 8.47 8.27 2z9oB1 GLN 196 HA 0.02 0.13 0.34 -0.75 4.36 4.10 2z9oB1 GLN 196 HB2 -0.01 -0.05 0.14 -0.04 2.15 2.19 2z9oB1 GLN 196 HB3 -0.00 0.01 0.02 -0.04 2.02 2.02 2z9oB1 GLN 196 HG2 0.00 0.03 0.05 -0.04 2.40 2.44 2z9oB1 GLN 196 HG3 0.01 0.04 0.05 -0.04 2.39 2.45 2z9oB1 GLN 196 HE21 0.02 0.10 0.01 -0.04 6.97 7.06 2z9oB1 GLN 196 HE22 0.01 0.04 -0.01 -0.04 7.69 7.69 2z9oB1 SER 197 H -0.07 0.13 -0.13 -0.55 8.46 7.85 2z9oB1 SER 197 HA -0.06 0.03 0.31 -0.75 4.49 4.02 2z9oB1 SER 197 HB2 -0.16 0.01 0.11 -0.04 3.95 3.86 2z9oB1 SER 197 HB3 -0.12 0.00 0.09 -0.04 3.93 3.86 2z9oB1 TYR 198 H 0.05 0.45 -1.20 -0.55 8.29 7.04 2z9oB1 TYR 198 HA 0.08 0.06 0.70 -0.75 4.56 4.65 2z9oB1 TYR 198 HB2 -0.04 0.49 -0.05 -0.04 3.06 3.42 2z9oB1 TYR 198 HB3 0.01 -0.06 0.02 -0.04 2.98 2.91 2z9oB1 TYR 198 HD2 -0.02 -0.01 -0.08 -0.04 7.15 7.01 2z9oB1 TYR 198 HE2 0.06 -0.02 -0.14 -0.04 6.85 6.71 2z9oB1 GLN 199 H 0.08 0.57 -0.02 -0.55 8.47 8.56 2z9oB1 GLN 199 HA 0.06 0.09 0.45 -0.75 4.36 4.20 2z9oB1 GLN 199 HB2 0.00 -0.06 0.01 -0.04 2.15 2.07 2z9oB1 GLN 199 HB3 0.02 0.01 0.07 -0.04 2.02 2.08 2z9oB1 GLN 199 HG2 0.03 0.29 0.17 -0.04 2.40 2.84 2z9oB1 GLN 199 HG3 0.01 -0.08 -0.06 -0.04 2.39 2.23 2z9oB1 GLN 199 HE21 -0.00 -0.02 -0.02 -0.04 6.97 6.89 2z9oB1 GLN 199 HE22 0.00 -0.03 -0.04 -0.04 7.69 7.58 2z9oB1 ARG 200 H 0.06 0.13 -0.27 -0.55 8.46 7.83 2z9oB1 ARG 200 HA 0.02 0.02 0.42 -0.75 4.34 4.05 2z9oB1 ARG 200 HB2 0.02 0.02 0.07 -0.04 1.90 1.97 2z9oB1 ARG 200 HB3 0.05 0.10 0.13 -0.04 1.80 2.04 2z9oB1 ARG 200 HG2 0.05 -0.07 -0.23 -0.04 1.67 1.38 2z9oB1 ARG 200 HG3 0.02 0.02 0.02 -0.04 1.67 1.69 2z9oB1 ARG 200 HD2 0.01 0.04 0.02 -0.04 3.22 3.25 2z9oB1 ARG 200 HD3 0.02 0.03 0.04 -0.04 3.22 3.27 2z9oB1 MET 201 H 0.01 0.12 0.17 -0.55 8.47 8.22 2z9oB1 MET 201 HA 0.07 0.09 0.18 -0.75 4.52 4.11 2z9oB1 MET 201 HB2 -0.03 0.01 0.16 -0.04 2.15 2.25 2z9oB1 MET 201 HB3 0.02 0.02 -0.03 -0.04 2.03 2.00 2z9oB1 MET 201 HG2 -0.03 -0.02 0.00 -0.04 2.63 2.54 2z9oB1 MET 201 HG3 0.02 -0.02 0.01 -0.04 2.56 2.53 2z9oB1 MET 201 HE3 -0.18 -0.00 0.04 -0.04 2.10 1.92 2z9oB1 PRO 202 HA 0.09 0.10 0.47 -0.51 4.44 4.59 2z9oB1 PRO 202 HB2 0.06 -0.11 0.13 -0.04 2.28 2.32 2z9oB1 PRO 202 HB3 0.06 0.07 0.07 -0.04 2.02 2.18 2z9oB1 PRO 202 HG2 0.04 0.06 0.03 -0.04 2.03 2.12 2z9oB1 PRO 202 HG3 0.04 0.07 0.02 -0.04 2.03 2.13 2z9oB1 PRO 202 HD2 0.06 0.06 -0.27 -0.04 3.68 3.49 2z9oB1 PRO 202 HD3 0.04 0.04 0.02 -0.04 3.65 3.71 2z9oB1 ASP 203 H 0.10 0.15 -0.04 -0.55 8.40 8.06 2z9oB1 ASP 203 HA 0.13 0.02 0.28 -0.75 4.63 4.30 2z9oB1 ASP 203 HB2 0.15 0.12 0.14 -0.04 2.71 3.07 2z9oB1 ASP 203 HB3 0.10 0.00 -0.04 -0.04 2.70 2.72 2z9oB1 PHE 204 H 0.34 0.54 -0.16 -0.55 8.34 8.51 2z9oB1 PHE 204 HA 0.22 -0.01 0.26 -0.75 4.62 4.34 2z9oB1 PHE 204 HB2 0.09 0.26 -0.20 -0.04 3.15 3.25 2z9oB1 PHE 204 HB3 0.07 0.05 -0.08 -0.04 3.06 3.06 2z9oB1 PHE 204 HD2 0.02 0.27 -0.13 -0.04 7.28 7.39 2z9oB1 PHE 204 HE2 -0.09 0.00 -0.10 -0.04 7.38 7.15 2z9oB1 PHE 204 HZ -0.16 0.01 -0.08 -0.04 7.32 7.05 2z9oB1 ARG 205 H 0.27 0.57 -0.49 -0.55 8.46 8.26 2z9oB1 ARG 205 HA 0.17 -0.11 0.69 -0.75 4.34 4.34 2z9oB1 ARG 205 HB2 0.16 0.27 0.25 -0.04 1.90 2.54 2z9oB1 ARG 205 HB3 0.16 -0.10 0.07 -0.04 1.80 1.89 2z9oB1 ARG 205 HG2 0.17 -0.11 0.05 -0.04 1.67 1.73 2z9oB1 ARG 205 HG3 0.25 0.10 0.06 -0.04 1.67 2.04 2z9oB1 ARG 205 HD2 0.13 0.01 0.05 -0.04 3.22 3.37 2z9oB1 ARG 205 HD3 0.15 -0.06 0.02 -0.04 3.22 3.28 2z9oB1 ARG 206 H 0.14 0.52 0.20 -0.55 8.46 8.77 2z9oB1 ARG 206 HA 0.08 0.05 0.56 -0.75 4.34 4.27 2z9oB1 ARG 206 HB2 0.09 -0.01 0.08 -0.04 1.90 2.02 2z9oB1 ARG 206 HB3 0.09 -0.01 0.04 -0.04 1.80 1.88 2z9oB1 ARG 206 HG2 0.06 0.01 0.17 -0.04 1.67 1.87 2z9oB1 ARG 206 HG3 0.06 -0.01 0.06 -0.04 1.67 1.74 2z9oB1 ARG 206 HD2 0.04 -0.00 0.01 -0.04 3.22 3.24 2z9oB1 ARG 206 HD3 0.05 -0.02 -0.00 -0.04 3.22 3.21 2z9oB1 ARG 207 H 0.09 0.13 -0.47 -0.55 8.46 7.66 2z9oB1 ARG 207 HA 0.08 0.19 0.79 -0.75 4.34 4.64 2z9oB1 ARG 207 HB2 0.64 -0.02 -0.21 -0.04 1.90 2.27 2z9oB1 ARG 207 HB3 0.37 -0.01 -0.02 -0.04 1.80 2.10 2z9oB1 ARG 207 HG2 0.18 -0.07 -0.41 -0.04 1.67 1.33 2z9oB1 ARG 207 HG3 0.20 -0.04 -0.13 -0.04 1.67 1.66 2z9oB1 ARG 207 HD2 0.11 -0.06 0.06 -0.04 3.22 3.29 2z9oB1 ARG 207 HD3 0.09 0.78 0.14 -0.04 3.22 4.19 2z9oB1 PHE 208 H -0.05 0.24 -0.05 -0.55 8.34 7.93 2z9oB1 PHE 208 HA -0.28 0.18 1.03 -0.75 4.62 4.80 2z9oB1 PHE 208 HB2 -0.85 -0.03 -0.02 -0.04 3.15 2.21 2z9oB1 PHE 208 HB3 -0.94 0.18 0.21 -0.04 3.06 2.46 2z9oB1 PHE 208 HD2 -0.61 -0.04 -0.05 -0.04 7.28 6.53 2z9oB1 PHE 208 HE2 -0.13 -0.03 -0.06 -0.04 7.38 7.11 2z9oB1 PHE 208 HZ -0.11 -0.02 -0.04 -0.04 7.32 7.11 2z9oB1 LEU 209 H -0.08 0.47 0.25 -0.55 8.37 8.47 2z9oB1 LEU 209 HA -0.26 0.06 0.33 -0.75 4.35 3.73 2z9oB1 LEU 209 HB2 0.06 0.08 0.31 -0.04 1.64 2.05 2z9oB1 LEU 209 HB3 -0.03 -0.06 0.20 -0.04 1.64 1.71 2z9oB1 LEU 209 HG 0.36 0.02 -0.02 -0.04 1.64 1.96 2z9oB1 LEU 209 HD13 -0.07 -0.01 -0.05 -0.04 0.93 0.76 2z9oB1 LEU 209 HD23 -0.16 0.00 -0.09 -0.04 0.89 0.60 2z9oB1 GLN 210 H 0.12 0.24 0.15 -0.55 8.47 8.43 2z9oB1 GLN 210 HA 0.17 0.00 0.33 -0.75 4.36 4.11 2z9oB1 GLN 210 HB2 0.06 0.16 0.15 -0.04 2.15 2.48 2z9oB1 GLN 210 HB3 0.05 0.01 -0.01 -0.04 2.02 2.03 2z9oB1 GLN 210 HG2 0.10 -0.01 0.03 -0.04 2.40 2.48 2z9oB1 GLN 210 HG3 0.23 -0.06 0.09 -0.04 2.39 2.60 2z9oB1 GLN 210 HE21 0.12 -0.03 -0.11 -0.04 6.97 6.91 2z9oB1 GLN 210 HE22 0.19 -0.02 -0.02 -0.04 7.69 7.80 2z9oB1 VAL 211 H -0.03 0.06 -0.49 -0.55 8.24 7.23 2z9oB1 VAL 211 HA -0.05 -0.01 0.26 -0.75 4.13 3.57 2z9oB1 VAL 211 HB -0.15 -0.00 -0.14 -0.04 2.12 1.79 2z9oB1 VAL 211 HG13 -0.08 0.00 -0.10 -0.04 0.97 0.75 2z9oB1 VAL 211 HG23 -0.02 0.00 -0.22 -0.04 0.95 0.68 2z9oB1 CYS 212 H -0.28 0.34 0.00 -0.55 8.50 8.01 2z9oB1 CYS 212 HA -0.21 -0.08 0.29 -0.75 4.58 3.82 2z9oB1 CYS 212 HB2 -0.72 0.15 0.04 -0.04 2.97 2.40 2z9oB1 CYS 212 HB3 -0.43 -0.04 -0.04 -0.04 2.97 2.42 2z9oB1 VAL 213 H -0.17 0.67 -0.39 -0.55 8.24 7.80 2z9oB1 VAL 213 HA -0.12 0.00 0.32 -0.75 4.13 3.57 2z9oB1 VAL 213 HB 0.07 0.10 -0.03 -0.04 2.12 2.22 2z9oB1 VAL 213 HG13 0.05 -0.04 -0.18 -0.04 0.97 0.76 2z9oB1 VAL 213 HG23 0.12 -0.01 -0.18 -0.04 0.95 0.84 2z9oB1 ASN 214 H -0.04 0.79 0.10 -0.55 8.53 8.83 2z9oB1 ASN 214 HA -0.03 -0.03 0.50 -0.75 4.76 4.44 2z9oB1 ASN 214 HB2 -0.02 -0.04 0.14 -0.04 2.88 2.93 2z9oB1 ASN 214 HB3 -0.04 0.18 0.26 -0.04 2.79 3.14 2z9oB1 ASN 214 HD21 -0.03 -0.04 -0.08 -0.04 7.03 6.85 2z9oB1 ASN 214 HD22 -0.04 0.01 -0.06 -0.04 7.74 7.61 2z9oB1 GLU 215 H -0.09 0.60 -0.06 -0.55 8.60 8.51 2z9oB1 GLU 215 HA -0.07 0.03 0.29 -0.75 4.29 3.78 2z9oB1 GLU 215 HB2 -0.10 -0.00 -0.01 -0.04 2.09 1.93 2z9oB1 GLU 215 HB3 -0.12 0.00 0.09 -0.04 1.99 1.92 2z9oB1 GLU 215 HG2 -0.08 0.09 0.06 -0.04 2.34 2.37 2z9oB1 GLU 215 HG3 -0.07 -0.03 -0.00 -0.04 2.34 2.20 2z9oB1 ILE 216 H -0.06 0.27 -0.97 -0.55 8.25 6.94 2z9oB1 ILE 216 HA -0.11 0.15 0.85 -0.75 4.18 4.32 2z9oB1 ILE 216 HB -0.04 0.15 0.15 -0.04 1.89 2.11 2z9oB1 ILE 216 HG12 -0.10 -0.01 -0.11 -0.04 1.49 1.22 2z9oB1 ILE 216 HG13 -0.12 0.30 -0.27 -0.04 1.21 1.07 2z9oB1 ILE 216 HG23 0.09 -0.01 -0.14 -0.04 0.93 0.83 2z9oB1 ILE 216 HD13 -0.07 -0.04 -0.14 -0.04 0.88 0.58 2z9oB1 ASN 217 H -0.03 0.44 0.34 -0.55 8.53 8.73 2z9oB1 ASN 217 HA 0.01 0.27 0.67 -0.75 4.76 4.95 2z9oB1 ASN 217 HB2 -0.01 0.12 0.33 -0.04 2.88 3.28 2z9oB1 ASN 217 HB3 -0.01 -0.02 0.12 -0.04 2.79 2.83 2z9oB1 ASN 217 HD21 0.01 0.01 -0.00 -0.04 7.03 7.01 2z9oB1 ASN 217 HD22 -0.00 0.02 0.08 -0.04 7.74 7.80 2z9oB1 SER 218 H -0.04 0.13 -0.41 -0.55 8.46 7.60 2z9oB1 SER 218 HA -0.02 0.24 1.02 -0.75 4.49 4.98 2z9oB1 SER 218 HB2 -0.03 -0.05 0.15 -0.04 3.95 3.98 2z9oB1 SER 218 HB3 -0.03 -0.04 -0.04 -0.04 3.93 3.79 2z9oB1 ARG 219 H -0.05 0.32 -0.12 -0.55 8.46 8.05 2z9oB1 ARG 219 HA -0.05 0.13 0.84 -0.75 4.34 4.51 2z9oB1 ARG 219 HB2 -0.11 0.14 -0.09 -0.04 1.90 1.80 2z9oB1 ARG 219 HB3 -0.08 -0.03 0.03 -0.04 1.80 1.68 2z9oB1 ARG 219 HG2 -0.06 -0.25 -0.74 -0.04 1.67 0.58 2z9oB1 ARG 219 HG3 -0.07 0.01 -0.11 -0.04 1.67 1.46 2z9oB1 ARG 219 HD2 -0.05 0.06 0.12 -0.04 3.22 3.31 2z9oB1 ARG 219 HD3 -0.05 -0.07 -0.08 -0.04 3.22 2.98 2z9oB1 THR 220 H -0.05 0.35 0.24 -0.55 8.28 8.28 2z9oB1 THR 220 HA -0.06 0.25 0.82 -0.75 4.39 4.65 2z9oB1 THR 220 HB 0.03 0.08 0.08 -0.04 4.32 4.46 2z9oB1 THR 220 HG23 -0.59 -0.01 -0.14 -0.04 1.22 0.44 2z9oB1 PRO 221 HA 0.03 0.10 0.64 -0.51 4.44 4.70 2z9oB1 PRO 221 HB2 0.04 -0.12 0.26 -0.04 2.28 2.41 2z9oB1 PRO 221 HB3 0.03 0.04 0.12 -0.04 2.02 2.17 2z9oB1 PRO 221 HG2 0.09 0.05 0.09 -0.04 2.03 2.21 2z9oB1 PRO 221 HG3 0.06 0.06 0.08 -0.04 2.03 2.19 2z9oB1 PRO 221 HD2 0.10 0.17 0.15 -0.04 3.68 4.05 2z9oB1 PRO 221 HD3 0.02 0.23 0.04 -0.04 3.65 3.90 2z9oB1 MET 222 H 0.05 0.65 -0.12 -0.55 8.47 8.51 2z9oB1 MET 222 HA 0.06 0.16 0.67 -0.75 4.52 4.66 2z9oB1 MET 222 HB2 0.01 0.15 -0.24 -0.04 2.15 2.03 2z9oB1 MET 222 HB3 0.12 0.01 -0.18 -0.04 2.03 1.93 2z9oB1 MET 222 HG2 0.09 -0.09 -0.47 -0.04 2.63 2.12 2z9oB1 MET 222 HG3 0.02 -0.05 -0.13 -0.04 2.56 2.36 2z9oB1 MET 222 HE3 -0.77 0.04 -0.15 -0.04 2.10 1.18 2z9oB1 ARG 223 H 0.10 0.37 0.21 -0.55 8.46 8.58 2z9oB1 ARG 223 HA 0.04 0.20 1.00 -0.75 4.34 4.83 2z9oB1 ARG 223 HB2 0.06 0.05 0.13 -0.04 1.90 2.09 2z9oB1 ARG 223 HB3 0.06 -0.02 0.19 -0.04 1.80 1.99 2z9oB1 ARG 223 HG2 0.03 -0.04 0.02 -0.04 1.67 1.63 2z9oB1 ARG 223 HG3 0.03 0.01 0.04 -0.04 1.67 1.70 2z9oB1 ARG 223 HD2 0.02 0.17 0.05 -0.04 3.22 3.43 2z9oB1 ARG 223 HD3 0.03 -0.05 -0.05 -0.04 3.22 3.11 2z9oB1 LEU 224 H 0.05 0.23 -0.00 -0.55 8.37 8.10 2z9oB1 LEU 224 HA 0.15 0.05 0.41 -0.75 4.35 4.20 2z9oB1 LEU 224 HB2 0.03 0.05 -0.01 -0.04 1.64 1.68 2z9oB1 LEU 224 HB3 0.02 0.01 0.08 -0.04 1.64 1.72 2z9oB1 LEU 224 HG 0.02 -0.07 -0.30 -0.04 1.64 1.25 2z9oB1 LEU 224 HD13 0.06 -0.00 -0.15 -0.04 0.93 0.80 2z9oB1 LEU 224 HD23 -0.19 -0.01 -0.10 -0.04 0.89 0.55 2z9oB1 SER 225 H 0.16 0.29 0.10 -0.55 8.46 8.47 2z9oB1 SER 225 HA 0.04 0.11 0.89 -0.75 4.49 4.78 2z9oB1 SER 225 HB2 0.09 -0.09 0.23 -0.04 3.95 4.13 2z9oB1 SER 225 HB3 0.04 -0.06 0.09 -0.04 3.93 3.96 2z9oB1 TYR 226 H -0.00 0.19 0.15 -0.55 8.29 8.07 2z9oB1 TYR 226 HA 0.29 0.39 1.06 -0.75 4.56 5.55 2z9oB1 TYR 226 HB2 0.49 -0.06 -0.11 -0.04 3.06 3.33 2z9oB1 TYR 226 HB3 0.41 0.03 -0.23 -0.04 2.98 3.15 2z9oB1 TYR 226 HD2 0.14 0.02 -0.41 -0.04 7.15 6.86 2z9oB1 TYR 226 HE2 0.09 -0.02 -0.07 -0.04 6.85 6.82 2z9oB1 ILE 227 H 0.24 0.22 0.08 -0.55 8.25 8.24 2z9oB1 ILE 227 HA 0.22 0.14 0.78 -0.75 4.18 4.56 2z9oB1 ILE 227 HB 0.07 -0.05 0.18 -0.04 1.89 2.05 2z9oB1 ILE 227 HG12 0.07 0.05 -0.09 -0.04 1.49 1.49 2z9oB1 ILE 227 HG13 0.12 -0.05 -0.62 -0.04 1.21 0.62 2z9oB1 ILE 227 HG23 0.06 0.00 -0.11 -0.04 0.93 0.84 2z9oB1 ILE 227 HD13 0.05 0.00 -0.05 -0.04 0.88 0.84 2z9oB1 GLU 228 H 0.16 0.20 0.12 -0.55 8.60 8.53 2z9oB1 GLU 228 HA 0.01 0.14 1.07 -0.75 4.29 4.75 2z9oB1 GLU 228 HB2 0.01 0.04 -0.06 -0.04 2.09 2.04 2z9oB1 GLU 228 HB3 0.03 -0.02 -0.00 -0.04 1.99 1.95 2z9oB1 GLU 228 HG2 0.13 -0.02 0.14 -0.04 2.34 2.54 2z9oB1 GLU 228 HG3 0.05 -0.00 -0.00 -0.04 2.34 2.35 2z9oB1 LYS 229 H 0.00 0.76 0.38 -0.55 8.42 9.00 2z9oB1 LYS 229 HA -0.00 0.16 0.82 -0.75 4.32 4.55 2z9oB1 LYS 229 HB2 -0.03 0.03 0.00 -0.04 1.87 1.83 2z9oB1 LYS 229 HB3 0.00 0.04 0.02 -0.04 1.79 1.81 2z9oB1 LYS 229 HG2 0.04 0.07 0.10 -0.04 1.46 1.63 2z9oB1 LYS 229 HG3 -0.07 -0.32 0.38 -0.04 1.46 1.41 2z9oB1 LYS 229 HD2 -0.24 -0.06 0.02 -0.04 1.69 1.37 2z9oB1 LYS 229 HD3 -0.11 0.04 -0.04 -0.04 1.68 1.53 2z9oB1 LYS 229 HE2 0.01 0.05 -0.04 -0.04 2.99 2.96 2z9oB1 LYS 229 HE3 0.08 -0.01 -0.07 -0.04 2.99 2.95 2z9oB1 LYS 230 H -0.01 0.30 0.15 -0.55 8.42 8.31 2z9oB1 LYS 230 HA -0.05 0.03 1.02 -0.75 4.32 4.57 2z9oB1 LYS 230 HB2 -0.01 -0.06 -0.20 -0.04 1.87 1.56 2z9oB1 LYS 230 HB3 -0.01 0.03 -0.00 -0.04 1.79 1.77 2z9oB1 LYS 230 HG2 -0.02 -0.08 -1.15 -0.04 1.46 0.17 2z9oB1 LYS 230 HG3 -0.02 -0.22 -1.49 -0.04 1.46 -0.32 2z9oB1 LYS 230 HD2 -0.00 -0.02 -0.15 -0.04 1.69 1.47 2z9oB1 LYS 230 HD3 -0.01 0.18 -0.30 -0.04 1.68 1.51 2z9oB1 LYS 230 HE2 -0.01 -0.05 -0.10 -0.04 2.99 2.80 2z9oB1 LYS 230 HE3 0.00 -0.08 -0.12 -0.04 2.99 2.75 2z9oB1 LYS 231 H -0.06 0.35 0.14 -0.55 8.42 8.29 2z9oB1 LYS 231 HA -0.04 0.10 0.66 -0.75 4.32 4.29 2z9oB1 LYS 231 HB2 -0.05 0.01 0.11 -0.04 1.87 1.90 2z9oB1 LYS 231 HB3 -0.07 -0.02 0.07 -0.04 1.79 1.73 2z9oB1 LYS 231 HG2 -0.07 0.09 0.15 -0.04 1.46 1.59 2z9oB1 LYS 231 HG3 -0.04 -0.07 0.25 -0.04 1.46 1.55 2z9oB1 LYS 231 HD2 -0.05 0.01 0.04 -0.04 1.69 1.65 2z9oB1 LYS 231 HD3 -0.09 -0.01 0.03 -0.04 1.68 1.56 2z9oB1 LYS 231 HE2 -0.06 -0.01 0.01 -0.04 2.99 2.90 2z9oB1 LYS 231 HE3 -0.04 -0.02 0.05 -0.04 2.99 2.94 2z9oB1 GLY 232 H -0.02 0.39 0.01 -0.55 8.43 8.26 2z9oB1 GLY 232 HA2 -0.01 0.04 0.31 -0.51 4.01 3.84 2z9oB1 GLY 232 HA3 -0.02 0.03 0.51 -0.51 4.01 4.02 2z9oB1 ARG 233 H -0.02 0.16 0.22 -0.55 8.46 8.27 2z9oB1 ARG 233 HA -0.01 0.20 0.79 -0.75 4.34 4.57 2z9oB1 ARG 233 HB2 -0.01 -0.02 0.16 -0.04 1.90 1.98 2z9oB1 ARG 233 HB3 -0.01 0.00 0.01 -0.04 1.80 1.76 2z9oB1 ARG 233 HG2 -0.00 0.04 -0.02 -0.04 1.67 1.65 2z9oB1 ARG 233 HG3 -0.01 -0.04 -0.03 -0.04 1.67 1.55 2z9oB1 ARG 233 HD2 -0.01 -0.00 0.02 -0.04 3.22 3.19 2z9oB1 ARG 233 HD3 -0.00 0.00 0.00 -0.04 3.22 3.18 2z9oB1 GLN 234 H -0.02 0.13 0.04 -0.55 8.47 8.07 2z9oB1 GLN 234 HA -0.03 0.16 0.76 -0.75 4.36 4.50 2z9oB1 GLN 234 HB2 -0.03 -0.02 0.05 -0.04 2.15 2.11 2z9oB1 GLN 234 HB3 -0.04 -0.01 0.06 -0.04 2.02 1.99 2z9oB1 GLN 234 HG2 -0.05 0.11 -0.18 -0.04 2.40 2.24 2z9oB1 GLN 234 HG3 -0.04 -0.02 0.09 -0.04 2.39 2.38 2z9oB1 GLN 234 HE21 -0.02 -0.01 0.00 -0.04 6.97 6.90 2z9oB1 GLN 234 HE22 -0.03 -0.00 0.02 -0.04 7.69 7.64 2z9oB1 THR 235 H -0.04 0.17 0.16 -0.55 8.28 8.02 2z9oB1 THR 235 HA -0.05 0.04 0.83 -0.75 4.39 4.46 2z9oB1 THR 235 HB -0.07 -0.00 -0.01 -0.04 4.32 4.20 2z9oB1 THR 235 HG23 -0.03 -0.01 -0.41 -0.04 1.22 0.73 2z9oB1 THR 236 H -0.08 0.50 0.36 -0.55 8.28 8.52 2z9oB1 THR 236 HA -0.04 0.22 1.19 -0.75 4.39 5.00 2z9oB1 THR 236 HB -0.11 -0.06 0.02 -0.04 4.32 4.12 2z9oB1 THR 236 HG23 -0.09 0.01 -0.17 -0.04 1.22 0.93 2z9oB1 HIS 237 H -0.05 0.26 0.32 -0.55 8.41 8.40 2z9oB1 HIS 237 HA -0.06 0.32 1.13 -0.75 4.63 5.28 2z9oB1 HIS 237 HB2 -0.05 -0.02 0.06 -0.04 3.26 3.22 2z9oB1 HIS 237 HB3 -0.07 0.04 -0.08 -0.04 3.20 3.05 2z9oB1 HIS 237 HD2 -0.05 0.04 -0.08 -0.04 6.97 6.83 2z9oB1 HIS 237 HE1 -0.03 -0.00 -0.06 -0.04 7.75 7.62 2z9oB1 ILE 238 H -0.09 0.50 0.32 -0.55 8.25 8.43 2z9oB1 ILE 238 HA -0.09 0.14 1.03 -0.75 4.18 4.50 2z9oB1 ILE 238 HB -0.53 0.01 0.10 -0.04 1.89 1.43 2z9oB1 ILE 238 HG12 -0.05 0.00 -0.20 -0.04 1.49 1.21 2z9oB1 ILE 238 HG13 -0.05 -0.08 -0.39 -0.04 1.21 0.65 2z9oB1 ILE 238 HG23 -0.22 -0.00 -0.24 -0.04 0.93 0.43 2z9oB1 ILE 238 HD13 0.16 0.01 -0.11 -0.04 0.88 0.90 2z9oB1 VAL 239 H -0.06 1.09 0.38 -0.55 8.24 9.10 2z9oB1 VAL 239 HA -0.09 0.26 0.84 -0.75 4.13 4.39 2z9oB1 VAL 239 HB 0.04 -0.05 0.30 -0.04 2.12 2.37 2z9oB1 VAL 239 HG13 0.02 0.00 -0.15 -0.04 0.97 0.81 2z9oB1 VAL 239 HG23 -0.00 -0.01 -0.04 -0.04 0.95 0.86 2z9oB1 PHE 240 H -0.09 0.51 0.39 -0.55 8.34 8.60 2z9oB1 PHE 240 HA 0.16 0.24 0.76 -0.75 4.62 5.03 2z9oB1 PHE 240 HB2 0.19 -0.02 0.23 -0.04 3.15 3.51 2z9oB1 PHE 240 HB3 0.23 0.03 -0.01 -0.04 3.06 3.27 2z9oB1 PHE 240 HD2 0.24 0.03 -0.10 -0.04 7.28 7.42 2z9oB1 PHE 240 HE2 0.20 -0.04 -0.10 -0.04 7.38 7.39 2z9oB1 PHE 240 HZ 0.27 -0.02 -0.09 -0.04 7.32 7.43 2z9oB1 SER 241 H 0.22 0.88 0.46 -0.55 8.46 9.47 2z9oB1 SER 241 HA -0.10 0.27 1.27 -0.75 4.49 5.18 2z9oB1 SER 241 HB2 0.01 -0.08 0.03 -0.04 3.95 3.87 2z9oB1 SER 241 HB3 0.06 -0.04 0.23 -0.04 3.93 4.14 2z9oB1 PHE 242 H -0.51 0.38 0.16 -0.55 8.34 7.82 2z9oB1 PHE 242 HA 0.05 0.33 0.83 -0.75 4.62 5.07 2z9oB1 PHE 242 HB2 0.03 -0.06 -0.08 -0.04 3.15 2.99 2z9oB1 PHE 242 HB3 0.04 -0.09 -0.14 -0.04 3.06 2.83 2z9oB1 PHE 242 HD2 0.05 -0.09 -0.37 -0.04 7.28 6.83 2z9oB1 PHE 242 HE2 0.05 0.06 -0.29 -0.04 7.38 7.15 2z9oB1 PHE 242 HZ 0.06 0.36 -0.42 -0.04 7.32 7.28 2z9oB1 ARG 243 H 0.25 0.10 0.13 -0.55 8.46 8.39 2z9oB1 ARG 243 HA 0.21 0.01 0.56 -0.75 4.34 4.36 2z9oB1 ARG 243 HB2 0.07 0.05 -0.06 -0.04 1.90 1.92 2z9oB1 ARG 243 HB3 0.07 0.07 -0.20 -0.04 1.80 1.70 2z9oB1 ARG 243 HG2 0.09 0.09 0.05 -0.04 1.67 1.87 2z9oB1 ARG 243 HG3 0.07 -0.03 -0.13 -0.04 1.67 1.55 2z9oB1 ARG 243 HD2 0.04 0.01 -0.08 -0.04 3.22 3.16 2z9oB1 ARG 243 HD3 0.04 -0.02 -0.06 -0.04 3.22 3.14 2z9oB1 ASP 244 H 0.12 0.16 -0.15 -0.55 8.40 7.98 2z9oB1 ASP 244 HA 0.05 0.17 0.57 -0.75 4.63 4.67 2z9oB1 ASP 244 HB2 0.06 0.04 0.13 -0.04 2.71 2.89 2z9oB1 ASP 244 HB3 0.05 0.21 0.19 -0.04 2.70 3.11 2z9oB1 ILE 245 H 0.04 0.17 0.04 -0.55 8.25 7.96 2z9oB1 ILE 245 HA 0.03 0.09 0.40 -0.75 4.18 3.95 2z9oB1 ILE 245 HB 0.03 -0.03 0.02 -0.04 1.89 1.87 2z9oB1 ILE 245 HG12 0.04 0.03 -0.06 -0.04 1.49 1.47 2z9oB1 ILE 245 HG13 0.03 0.02 -0.05 -0.04 1.21 1.17 2z9oB1 ILE 245 HG23 0.02 0.00 -0.16 -0.04 0.93 0.74 2z9oB1 ILE 245 HD13 0.03 -0.00 -0.08 -0.04 0.88 0.78 2z9oB1 THR 246 H 0.03 0.07 -0.06 -0.55 8.28 7.76 2z9oB1 THR 246 HA 0.02 0.01 0.31 -0.75 4.39 3.97 2z9oB1 THR 246 HB 0.02 -0.01 -0.00 -0.04 4.32 4.28 2z9oB1 THR 246 HG23 0.02 0.00 0.07 -0.04 1.22 1.27 2z9oB1 SER 247 H 0.02 0.12 -0.16 -0.55 8.46 7.89 2z9oB1 SER 247 HA 0.02 0.25 0.65 -0.75 4.49 4.65 2z9oB1 SER 247 HB2 0.02 -0.01 0.04 -0.04 3.95 3.96 2z9oB1 SER 247 HB3 0.01 0.03 -0.10 -0.04 3.93 3.83