============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 10 1.000 -1.848 -5.439 -19.832 -99.200 -91.000 PHE 24 1.000 -9.090 2.917 -15.451 -99.200 -91.000 PHE 28 1.000 -9.203 2.717 -5.857 -99.200 -91.000 TYR 38 0.840 -16.773 -9.489 0.829 -99.200 -91.000 TYR 44 0.840 -4.177 -8.871 5.722 -99.200 -91.000 TYR 60 0.840 -2.665 10.350 7.838 -99.200 -91.000 TYR 66 0.840 -1.844 -5.476 6.377 -99.200 -91.000 TYR 68 0.840 2.309 -10.421 6.307 -99.200 -91.000 TYR 84 0.840 4.748 0.835 15.118 -99.200 -91.000 PHE 89 1.000 11.442 -5.072 5.585 -99.200 -91.000 TYR 94 0.840 15.546 -9.320 -10.029 -99.200 -91.000 TYR 99 0.840 9.585 -2.164 -4.568 -99.200 -91.000 PHE 113 1.000 12.851 8.326 7.078 -99.200 -91.000 TRP 114 1.040 17.512 10.320 9.506 -99.200 -91.000 TRP6 114 1.020 18.500 9.849 7.409 -99.200 -91.000 TRP 118 1.040 23.550 2.882 10.404 -99.200 -91.000 TRP6 118 1.020 24.998 4.537 9.524 -99.200 -91.000 TYR 120 0.840 15.683 -3.480 8.296 -99.200 -91.000 TYR 132 0.840 5.604 23.291 5.132 -99.200 -91.000 TYR 142 0.840 13.300 12.345 5.279 -99.200 -91.000 TRP 143 1.040 14.968 17.590 3.351 -99.200 -91.000 TRP6 143 1.020 12.725 16.914 3.706 -99.200 -91.000 PHE 153 1.000 16.913 14.159 12.349 -99.200 -91.000 PHE 156 1.000 20.993 7.083 13.292 -99.200 -91.000 TYR 169 0.840 13.326 13.197 -10.757 -99.200 -91.000 PHE 178 1.000 24.616 4.556 14.851 -99.200 -91.000 TYR 186 0.840 23.444 8.788 -4.213 -99.200 -91.000 PHE 188 1.000 16.622 9.337 -7.066 -99.200 -91.000 HIS 189 0.900 11.302 16.525 -1.333 -99.200 -91.000 TYR 190 0.840 7.415 13.445 -9.411 -99.200 -91.000 TRP 193 1.040 1.253 12.896 -7.698 -99.200 -91.000 TRP6 193 1.020 2.680 11.009 -7.660 -99.200 -91.000 HIS 196 0.900 -8.178 15.810 -8.665 -99.200 -91.000 TRP 210 1.040 16.388 5.981 -17.069 -99.200 -91.000 TRP6 210 1.020 16.904 4.153 -18.479 -99.200 -91.000 TYR 215 0.840 21.351 7.623 -8.544 -99.200 -91.000 HIS 226 0.900 8.729 9.885 2.902 -99.200 -91.000 TYR 242 0.840 6.303 -6.964 -8.667 -99.200 -91.000 TRP 244 1.040 10.700 -0.190 -16.613 -99.200 -91.000 TRP6 244 1.020 10.941 2.168 -16.571 -99.200 -91.000 PHE 256 1.000 1.158 -7.098 -14.666 -99.200 -91.000 PHE 259 1.000 -9.489 -6.223 -8.700 -99.200 -91.000 TYR 279 0.840 -7.036 0.341 -10.198 -99.200 -91.000 TYR 283 0.840 -5.389 -0.051 -17.458 -99.200 -91.000 PHE 290 1.000 2.412 -4.968 -19.798 -99.200 -91.000 HIS 301 0.900 13.330 -10.371 -34.826 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h2xA1 MET 1 HA -0.00 0.02 0.25 -0.75 4.52 4.04 3h2xA1 MET 1 HB2 -0.00 0.08 0.10 -0.04 2.15 2.29 3h2xA1 MET 1 HB3 -0.00 -0.13 0.16 -0.04 2.03 2.02 3h2xA1 MET 1 HG2 0.00 0.02 -0.00 -0.04 2.63 2.61 3h2xA1 MET 1 HG3 0.00 -0.03 -0.18 -0.04 2.56 2.31 3h2xA1 MET 1 HE3 -0.00 0.01 0.02 -0.04 2.10 2.09 3h2xA1 ASP 2 H -0.00 0.26 0.13 -0.55 8.40 8.24 3h2xA1 ASP 2 HA 0.01 0.16 0.81 -0.75 4.63 4.86 3h2xA1 ASP 2 HB2 0.01 0.04 0.04 -0.04 2.71 2.76 3h2xA1 ASP 2 HB3 0.01 0.07 0.04 -0.04 2.70 2.78 3h2xA1 GLN 3 H -0.01 0.34 -0.15 -0.55 8.47 8.10 3h2xA1 GLN 3 HA -0.04 0.07 0.37 -0.75 4.36 4.01 3h2xA1 GLN 3 HB2 -0.04 0.05 0.07 -0.04 2.15 2.20 3h2xA1 GLN 3 HB3 -0.09 -0.02 -0.03 -0.04 2.02 1.85 3h2xA1 GLN 3 HG2 -0.04 0.07 0.08 -0.04 2.40 2.47 3h2xA1 GLN 3 HG3 -0.06 0.05 0.06 -0.04 2.39 2.40 3h2xA1 GLN 3 HE21 -0.07 0.36 -0.13 -0.04 6.97 7.09 3h2xA1 GLN 3 HE22 -0.04 -0.17 -0.16 -0.04 7.69 7.29 3h2xA1 ARG 4 H -0.00 0.23 -0.16 -0.55 8.46 7.98 3h2xA1 ARG 4 HA -0.00 0.06 0.34 -0.75 4.34 3.98 3h2xA1 ARG 4 HB2 0.02 0.07 0.07 -0.04 1.90 2.02 3h2xA1 ARG 4 HB3 0.02 0.00 0.02 -0.04 1.80 1.81 3h2xA1 ARG 4 HG2 0.02 -0.04 -0.21 -0.04 1.67 1.41 3h2xA1 ARG 4 HG3 0.01 0.02 0.01 -0.04 1.67 1.68 3h2xA1 ARG 4 HD2 0.03 -0.00 -0.05 -0.04 3.22 3.15 3h2xA1 ARG 4 HD3 0.01 -0.01 -0.05 -0.04 3.22 3.13 3h2xA1 GLU 5 H 0.02 0.14 -0.39 -0.55 8.60 7.82 3h2xA1 GLU 5 HA 0.03 0.04 0.41 -0.75 4.29 4.02 3h2xA1 GLU 5 HB2 0.02 -0.01 0.08 -0.04 2.09 2.15 3h2xA1 GLU 5 HB3 0.03 0.18 0.14 -0.04 1.99 2.30 3h2xA1 GLU 5 HG2 0.04 -0.01 -0.18 -0.04 2.34 2.15 3h2xA1 GLU 5 HG3 0.03 -0.03 0.02 -0.04 2.34 2.32 3h2xA1 ILE 6 H 0.03 0.55 -0.00 -0.55 8.25 8.28 3h2xA1 ILE 6 HA 0.09 -0.03 0.41 -0.75 4.18 3.89 3h2xA1 ILE 6 HB 0.00 0.06 0.11 -0.04 1.89 2.02 3h2xA1 ILE 6 HG12 0.06 -0.12 -0.00 -0.04 1.49 1.38 3h2xA1 ILE 6 HG13 0.03 0.18 0.06 -0.04 1.21 1.44 3h2xA1 ILE 6 HG23 0.08 0.00 -0.26 -0.04 0.93 0.71 3h2xA1 ILE 6 HD13 0.02 -0.00 -0.16 -0.04 0.88 0.70 3h2xA1 LEU 7 H 0.01 0.88 -0.02 -0.55 8.37 8.70 3h2xA1 LEU 7 HA 0.22 -0.01 0.41 -0.75 4.35 4.22 3h2xA1 LEU 7 HB2 -0.01 0.07 0.09 -0.04 1.64 1.76 3h2xA1 LEU 7 HB3 0.01 -0.01 0.02 -0.04 1.64 1.61 3h2xA1 LEU 7 HG -0.15 0.18 0.00 -0.04 1.64 1.63 3h2xA1 LEU 7 HD13 -0.20 0.01 -0.08 -0.04 0.93 0.61 3h2xA1 LEU 7 HD23 -0.72 -0.03 -0.03 -0.04 0.89 0.07 3h2xA1 GLN 8 H 0.07 0.61 -0.15 -0.55 8.47 8.46 3h2xA1 GLN 8 HA 0.09 -0.01 0.39 -0.75 4.36 4.07 3h2xA1 GLN 8 HB2 0.04 0.16 0.18 -0.04 2.15 2.48 3h2xA1 GLN 8 HB3 0.05 0.09 0.16 -0.04 2.02 2.28 3h2xA1 GLN 8 HG2 0.03 -0.00 -0.01 -0.04 2.40 2.38 3h2xA1 GLN 8 HG3 0.04 -0.05 -0.12 -0.04 2.39 2.21 3h2xA1 GLN 8 HE21 0.03 0.02 -0.01 -0.04 6.97 6.96 3h2xA1 GLN 8 HE22 0.03 -0.06 0.01 -0.04 7.69 7.63 3h2xA1 LYS 9 H 0.10 0.56 -0.16 -0.55 8.42 8.37 3h2xA1 LYS 9 HA 0.06 0.00 0.43 -0.75 4.32 4.06 3h2xA1 LYS 9 HB2 0.07 0.03 0.13 -0.04 1.87 2.06 3h2xA1 LYS 9 HB3 0.13 0.14 0.16 -0.04 1.79 2.18 3h2xA1 LYS 9 HG2 0.09 -0.02 -0.19 -0.04 1.46 1.30 3h2xA1 LYS 9 HG3 0.05 -0.02 0.05 -0.04 1.46 1.49 3h2xA1 LYS 9 HD2 0.06 0.01 0.01 -0.04 1.69 1.73 3h2xA1 LYS 9 HD3 0.10 -0.03 0.02 -0.04 1.68 1.73 3h2xA1 LYS 9 HE2 0.07 -0.01 -0.02 -0.04 2.99 2.99 3h2xA1 LYS 9 HE3 0.04 0.01 -0.00 -0.04 2.99 3.00 3h2xA1 PHE 10 H 0.30 0.47 -0.23 -0.55 8.34 8.34 3h2xA1 PHE 10 HA 0.04 0.00 0.46 -0.75 4.62 4.37 3h2xA1 PHE 10 HB2 0.21 0.04 0.13 -0.04 3.15 3.49 3h2xA1 PHE 10 HB3 0.25 0.15 0.14 -0.04 3.06 3.56 3h2xA1 PHE 10 HD2 -0.19 0.03 -0.10 -0.04 7.28 6.98 3h2xA1 PHE 10 HE2 -0.35 0.04 -0.08 -0.04 7.38 6.94 3h2xA1 PHE 10 HZ -0.28 -0.11 -0.06 -0.04 7.32 6.82 3h2xA1 LEU 11 H 0.22 0.62 -0.09 -0.55 8.37 8.58 3h2xA1 LEU 11 HA 0.04 -0.00 0.47 -0.75 4.35 4.10 3h2xA1 LEU 11 HB2 0.10 0.11 0.17 -0.04 1.64 1.98 3h2xA1 LEU 11 HB3 0.06 -0.06 -0.00 -0.04 1.64 1.60 3h2xA1 LEU 11 HG 0.29 0.15 -0.05 -0.04 1.64 2.00 3h2xA1 LEU 11 HD13 0.09 0.00 -0.14 -0.04 0.93 0.84 3h2xA1 LEU 11 HD23 0.16 -0.04 -0.07 -0.04 0.89 0.90 3h2xA1 ASP 12 H 0.04 0.71 -0.06 -0.55 8.40 8.54 3h2xA1 ASP 12 HA -0.01 0.02 0.43 -0.75 4.63 4.33 3h2xA1 ASP 12 HB2 0.01 0.07 0.11 -0.04 2.71 2.86 3h2xA1 ASP 12 HB3 -0.00 -0.04 -0.01 -0.04 2.70 2.60 3h2xA1 GLU 13 H -0.06 0.50 -0.27 -0.55 8.60 8.22 3h2xA1 GLU 13 HA -0.06 0.02 0.34 -0.75 4.29 3.84 3h2xA1 GLU 13 HB2 -0.12 0.28 0.26 -0.04 2.09 2.47 3h2xA1 GLU 13 HB3 -0.25 -0.03 -0.03 -0.04 1.99 1.64 3h2xA1 GLU 13 HG2 -0.03 -0.01 0.05 -0.04 2.34 2.30 3h2xA1 GLU 13 HG3 -0.05 -0.05 0.02 -0.04 2.34 2.23 3h2xA1 ALA 14 H -0.16 0.31 -0.51 -0.55 8.40 7.49 3h2xA1 ALA 14 HA -0.09 0.06 0.65 -0.75 4.34 4.20 3h2xA1 ALA 14 HB3 -0.14 0.01 0.07 -0.04 1.41 1.31 3h2xA1 GLN 15 H -0.04 0.46 -0.07 -0.55 8.47 8.27 3h2xA1 GLN 15 HA -0.02 0.07 0.60 -0.75 4.36 4.26 3h2xA1 GLN 15 HB2 -0.01 0.16 0.16 -0.04 2.15 2.42 3h2xA1 GLN 15 HB3 -0.01 -0.02 0.14 -0.04 2.02 2.09 3h2xA1 GLN 15 HG2 -0.00 -0.03 0.05 -0.04 2.40 2.37 3h2xA1 GLN 15 HG3 -0.01 -0.03 0.10 -0.04 2.39 2.42 3h2xA1 GLN 15 HE21 0.00 -0.04 -0.02 -0.04 6.97 6.87 3h2xA1 GLN 15 HE22 0.00 -0.01 -0.00 -0.04 7.69 7.64 3h2xA1 SER 16 H -0.05 0.13 -1.15 -0.55 8.46 6.85 3h2xA1 SER 16 HA -0.03 0.06 0.53 -0.75 4.49 4.30 3h2xA1 SER 16 HB2 -0.02 0.02 -0.11 -0.04 3.95 3.80 3h2xA1 SER 16 HB3 -0.03 0.16 0.02 -0.04 3.93 4.04 3h2xA1 LYS 17 H -0.04 0.37 -0.14 -0.55 8.42 8.06 3h2xA1 LYS 17 HA -0.06 0.08 0.86 -0.75 4.32 4.44 3h2xA1 LYS 18 H -0.06 0.17 0.09 -0.55 8.42 8.06 3h2xA1 LYS 18 HA -0.05 0.09 0.31 -0.75 4.32 3.93 3h2xA1 LYS 18 HB2 -0.08 -0.11 0.12 -0.04 1.87 1.76 3h2xA1 LYS 18 HB3 -0.06 -0.05 -0.05 -0.04 1.79 1.60 3h2xA1 LYS 18 HG2 -0.04 0.06 0.05 -0.04 1.46 1.49 3h2xA1 LYS 18 HG3 -0.05 0.04 0.08 -0.04 1.46 1.50 3h2xA1 LYS 18 HD2 -0.04 -0.01 0.01 -0.04 1.69 1.61 3h2xA1 LYS 18 HD3 -0.03 0.05 0.02 -0.04 1.68 1.67 3h2xA1 LYS 18 HE2 -0.06 -0.11 0.01 -0.04 2.99 2.79 3h2xA1 LYS 18 HE3 -0.04 0.01 0.01 -0.04 2.99 2.93 3h2xA1 ILE 19 H -0.13 -0.00 -0.31 -0.55 8.25 7.25 3h2xA1 ILE 19 HA -0.30 -0.10 0.31 -0.75 4.18 3.34 3h2xA1 ILE 19 HB -0.09 0.18 0.05 -0.04 1.89 1.99 3h2xA1 ILE 19 HG12 -0.25 -0.10 0.00 -0.04 1.49 1.10 3h2xA1 ILE 19 HG13 -0.12 0.09 -0.20 -0.04 1.21 0.94 3h2xA1 ILE 19 HG23 -0.40 -0.03 -0.04 -0.04 0.93 0.42 3h2xA1 ILE 19 HD13 -0.03 0.02 0.05 -0.04 0.88 0.88 3h2xA1 THR 20 H -0.15 -0.02 0.03 -0.55 8.28 7.59 3h2xA1 THR 20 HA -0.02 0.34 0.74 -0.75 4.39 4.69 3h2xA1 THR 20 HB -0.02 -0.33 0.11 -0.04 4.32 4.03 3h2xA1 THR 20 HG23 -0.02 0.07 0.02 -0.04 1.22 1.25 3h2xA1 LYS 21 H 0.04 0.28 0.20 -0.55 8.42 8.39 3h2xA1 LYS 21 HA 0.26 0.12 0.43 -0.75 4.32 4.38 3h2xA1 LYS 21 HB2 0.06 0.09 0.16 -0.04 1.87 2.14 3h2xA1 LYS 21 HB3 0.05 0.04 0.03 -0.04 1.79 1.86 3h2xA1 LYS 21 HG2 0.07 -0.05 0.09 -0.04 1.46 1.52 3h2xA1 LYS 21 HG3 0.07 0.01 0.07 -0.04 1.46 1.58 3h2xA1 LYS 21 HD2 0.02 0.05 0.03 -0.04 1.69 1.75 3h2xA1 LYS 21 HD3 0.01 0.02 0.00 -0.04 1.68 1.67 3h2xA1 LYS 21 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 3h2xA1 LYS 21 HE3 -0.03 0.05 0.00 -0.04 2.99 2.97 3h2xA1 GLU 22 H 0.02 0.03 -0.38 -0.55 8.60 7.72 3h2xA1 GLU 22 HA 0.04 0.15 0.56 -0.75 4.29 4.29 3h2xA1 GLU 22 HB2 -0.01 -0.04 0.07 -0.04 2.09 2.07 3h2xA1 GLU 22 HB3 0.00 0.08 -0.05 -0.04 1.99 1.98 3h2xA1 GLU 22 HG2 0.00 0.09 0.01 -0.04 2.34 2.40 3h2xA1 GLU 22 HG3 0.02 0.04 0.02 -0.04 2.34 2.37 3h2xA1 GLU 23 H -0.05 0.09 -0.14 -0.55 8.60 7.95 3h2xA1 GLU 23 HA -0.05 0.10 0.41 -0.75 4.29 4.00 3h2xA1 GLU 23 HB2 -0.28 0.13 0.12 -0.04 2.09 2.02 3h2xA1 GLU 23 HB3 -0.19 0.08 0.04 -0.04 1.99 1.87 3h2xA1 GLU 23 HG2 -0.09 0.10 0.05 -0.04 2.34 2.36 3h2xA1 GLU 23 HG3 -0.09 -0.11 0.10 -0.04 2.34 2.20 3h2xA1 PHE 24 H 0.03 0.33 -0.35 -0.55 8.34 7.80 3h2xA1 PHE 24 HA 0.10 0.08 0.38 -0.75 4.62 4.42 3h2xA1 PHE 24 HB2 0.01 0.04 0.09 -0.04 3.15 3.24 3h2xA1 PHE 24 HB3 0.07 -0.02 -0.08 -0.04 3.06 2.99 3h2xA1 PHE 24 HD2 0.07 -0.02 -0.07 -0.04 7.28 7.21 3h2xA1 PHE 24 HE2 -0.35 0.04 -0.07 -0.04 7.38 6.96 3h2xA1 PHE 24 HZ -0.80 0.05 -0.04 -0.04 7.32 6.48 3h2xA1 ALA 25 H 0.17 0.34 -0.26 -0.55 8.40 8.11 3h2xA1 ALA 25 HA 0.17 -0.03 0.42 -0.75 4.34 4.14 3h2xA1 ALA 25 HB3 0.08 0.05 0.16 -0.04 1.41 1.65 3h2xA1 ASN 26 H 0.07 0.66 -0.06 -0.55 8.53 8.65 3h2xA1 ASN 26 HA 0.04 0.04 0.41 -0.75 4.76 4.49 3h2xA1 ASN 26 HB2 0.02 0.01 0.11 -0.04 2.88 2.98 3h2xA1 ASN 26 HB3 0.02 0.04 0.12 -0.04 2.79 2.92 3h2xA1 ASN 26 HD21 -0.01 0.02 -0.06 -0.04 7.03 6.93 3h2xA1 ASN 26 HD22 -0.01 0.01 -0.11 -0.04 7.74 7.59 3h2xA1 GLU 27 H 0.09 0.63 -0.17 -0.55 8.60 8.60 3h2xA1 GLU 27 HA 0.09 0.03 0.40 -0.75 4.29 4.05 3h2xA1 GLU 27 HB2 0.06 -0.00 0.12 -0.04 2.09 2.23 3h2xA1 GLU 27 HB3 0.23 0.04 0.20 -0.04 1.99 2.42 3h2xA1 GLU 27 HG2 0.46 -0.01 -0.21 -0.04 2.34 2.53 3h2xA1 GLU 27 HG3 0.32 -0.02 0.01 -0.04 2.34 2.60 3h2xA1 PHE 28 H 0.23 0.67 -0.16 -0.55 8.34 8.52 3h2xA1 PHE 28 HA -0.36 0.06 0.51 -0.75 4.62 4.07 3h2xA1 PHE 28 HB2 -0.16 -0.00 0.09 -0.04 3.15 3.03 3h2xA1 PHE 28 HB3 -0.04 0.04 0.11 -0.04 3.06 3.12 3h2xA1 PHE 28 HD2 -0.47 -0.01 -0.08 -0.04 7.28 6.67 3h2xA1 PHE 28 HE2 -0.09 0.12 -0.18 -0.04 7.38 7.19 3h2xA1 PHE 28 HZ -0.05 0.16 -0.49 -0.04 7.32 6.90 3h2xA1 LEU 29 H 0.06 0.59 -0.05 -0.55 8.37 8.42 3h2xA1 LEU 29 HA -0.19 0.02 0.44 -0.75 4.35 3.87 3h2xA1 LEU 29 HB2 0.01 0.11 0.19 -0.04 1.64 1.91 3h2xA1 LEU 29 HB3 -0.02 -0.02 0.02 -0.04 1.64 1.58 3h2xA1 LEU 29 HG 0.07 0.03 0.10 -0.04 1.64 1.79 3h2xA1 LEU 29 HD13 0.03 -0.02 -0.05 -0.04 0.93 0.85 3h2xA1 LEU 29 HD23 -0.01 -0.01 0.03 -0.04 0.89 0.86 3h2xA1 LYS 30 H 0.02 0.50 -0.26 -0.55 8.42 8.12 3h2xA1 LYS 30 HA 0.04 0.00 0.40 -0.75 4.32 4.00 3h2xA1 LYS 30 HB2 0.04 0.01 0.10 -0.04 1.87 1.98 3h2xA1 LYS 30 HB3 0.13 0.15 0.16 -0.04 1.79 2.19 3h2xA1 LYS 30 HG2 0.22 0.01 -0.23 -0.04 1.46 1.42 3h2xA1 LYS 30 HG3 0.07 -0.03 0.02 -0.04 1.46 1.47 3h2xA1 LYS 30 HD2 -0.03 -0.03 -0.03 -0.04 1.69 1.56 3h2xA1 LYS 30 HD3 -0.07 -0.01 -0.01 -0.04 1.68 1.55 3h2xA1 LYS 30 HE2 -0.22 0.01 -0.06 -0.04 2.99 2.68 3h2xA1 LYS 30 HE3 -0.06 0.01 -0.03 -0.04 2.99 2.87 3h2xA1 LEU 31 H -0.02 0.34 -0.28 -0.55 8.37 7.86 3h2xA1 LEU 31 HA -0.12 0.03 0.43 -0.75 4.35 3.94 3h2xA1 LEU 31 HB2 -0.19 0.07 0.16 -0.04 1.64 1.64 3h2xA1 LEU 31 HB3 -0.45 0.09 0.13 -0.04 1.64 1.37 3h2xA1 LEU 31 HG -1.08 -0.01 0.02 -0.04 1.64 0.54 3h2xA1 LEU 31 HD13 -0.34 -0.03 0.01 -0.04 0.93 0.53 3h2xA1 LEU 31 HD23 -0.28 0.00 -0.22 -0.04 0.89 0.36 3h2xA1 LYS 32 H -0.42 0.51 -0.10 -0.55 8.42 7.86 3h2xA1 LYS 32 HA -0.25 0.06 0.39 -0.75 4.32 3.77 3h2xA1 LYS 32 HB2 -0.32 0.08 0.17 -0.04 1.87 1.75 3h2xA1 LYS 32 HB3 -0.22 -0.03 0.00 -0.04 1.79 1.50 3h2xA1 LYS 32 HG2 -0.41 0.02 0.01 -0.04 1.46 1.04 3h2xA1 LYS 32 HG3 -1.11 0.05 0.02 -0.04 1.46 0.38 3h2xA1 LYS 32 HD2 -0.57 -0.03 -0.08 -0.04 1.69 0.97 3h2xA1 LYS 32 HD3 -0.58 -0.05 -0.08 -0.04 1.68 0.93 3h2xA1 LYS 32 HE2 -0.17 0.03 -0.00 -0.04 2.99 2.81 3h2xA1 LYS 32 HE3 -0.12 0.02 0.00 -0.04 2.99 2.86 3h2xA1 ARG 33 H -0.10 0.45 -0.26 -0.55 8.46 8.00 3h2xA1 ARG 33 HA -0.07 0.01 0.43 -0.75 4.34 3.95 3h2xA1 ARG 33 HB2 -0.02 0.01 0.10 -0.04 1.90 1.95 3h2xA1 ARG 33 HB3 0.04 0.09 0.19 -0.04 1.80 2.08 3h2xA1 ARG 33 HG2 0.21 0.03 -0.22 -0.04 1.67 1.65 3h2xA1 ARG 33 HG3 -0.03 -0.05 -0.01 -0.04 1.67 1.54 3h2xA1 ARG 33 HD2 0.12 -0.03 -0.03 -0.04 3.22 3.24 3h2xA1 ARG 33 HD3 0.03 -0.02 -0.02 -0.04 3.22 3.17 3h2xA1 GLN 34 H 0.08 0.58 0.00 -0.55 8.47 8.58 3h2xA1 GLN 34 HA 0.33 0.05 0.39 -0.75 4.36 4.38 3h2xA1 GLN 34 HB2 0.15 0.04 0.07 -0.04 2.15 2.37 3h2xA1 GLN 34 HB3 0.15 -0.02 0.06 -0.04 2.02 2.17 3h2xA1 GLN 34 HG2 0.18 -0.06 0.00 -0.04 2.40 2.48 3h2xA1 GLN 34 HG3 0.16 0.19 0.13 -0.04 2.39 2.83 3h2xA1 GLN 34 HE21 0.00 -0.04 -0.02 -0.04 6.97 6.87 3h2xA1 GLN 34 HE22 -0.00 -0.02 -0.01 -0.04 7.69 7.62 3h2xA1 SER 35 H -0.02 0.34 -0.38 -0.55 8.46 7.85 3h2xA1 SER 35 HA 0.04 0.10 0.62 -0.75 4.49 4.49 3h2xA1 SER 35 HB2 -0.03 -0.04 0.07 -0.04 3.95 3.91 3h2xA1 SER 35 HB3 -0.10 -0.00 0.08 -0.04 3.93 3.87 3h2xA1 THR 36 H -0.03 0.24 -0.17 -0.55 8.28 7.77 3h2xA1 THR 36 HA 0.03 0.20 0.93 -0.75 4.39 4.80 3h2xA1 THR 36 HB -0.02 -0.07 0.08 -0.04 4.32 4.26 3h2xA1 THR 36 HG23 -0.05 -0.00 -0.01 -0.04 1.22 1.12 3h2xA1 LYS 37 H -0.08 0.54 0.12 -0.55 8.42 8.45 3h2xA1 LYS 37 HA -0.17 0.13 0.88 -0.75 4.32 4.40 3h2xA1 LYS 37 HB2 -0.45 0.30 0.15 -0.04 1.87 1.82 3h2xA1 LYS 37 HB3 -1.13 -0.11 0.08 -0.04 1.79 0.59 3h2xA1 LYS 37 HG2 -0.29 -0.06 0.03 -0.04 1.46 1.09 3h2xA1 LYS 37 HG3 -0.26 -0.05 0.06 -0.04 1.46 1.17 3h2xA1 LYS 37 HD2 -0.12 0.06 -0.58 -0.04 1.69 1.00 3h2xA1 LYS 37 HD3 -0.13 0.03 -0.03 -0.04 1.68 1.51 3h2xA1 LYS 37 HE2 -0.10 -0.05 -0.02 -0.04 2.99 2.77 3h2xA1 LYS 37 HE3 -0.10 -0.00 -0.03 -0.04 2.99 2.82 3h2xA1 TYR 38 H -0.35 0.07 0.14 -0.55 8.29 7.60 3h2xA1 TYR 38 HA -0.00 -0.03 0.32 -0.75 4.56 4.10 3h2xA1 TYR 38 HB2 0.00 0.28 0.16 -0.04 3.06 3.47 3h2xA1 TYR 38 HB3 -0.00 -0.07 0.17 -0.04 2.98 3.04 3h2xA1 TYR 38 HD2 0.00 0.12 -0.10 -0.04 7.15 7.14 3h2xA1 TYR 38 HE2 0.00 -0.03 -0.12 -0.04 6.85 6.66 3h2xA1 LYS 39 H -0.01 0.03 -0.18 -0.55 8.42 7.71 3h2xA1 LYS 39 HA 0.01 0.17 0.74 -0.75 4.32 4.49 3h2xA1 LYS 39 HB2 0.00 0.05 -0.07 -0.04 1.87 1.81 3h2xA1 LYS 39 HB3 -0.03 -0.13 0.09 -0.04 1.79 1.68 3h2xA1 LYS 39 HG2 0.02 -0.00 -0.45 -0.04 1.46 0.99 3h2xA1 LYS 39 HG3 0.08 0.06 -0.13 -0.04 1.46 1.43 3h2xA1 LYS 39 HD2 0.01 -0.12 -0.11 -0.04 1.69 1.43 3h2xA1 LYS 39 HD3 0.05 0.01 -0.49 -0.04 1.68 1.22 3h2xA1 LYS 39 HE2 0.07 -0.03 -0.68 -0.04 2.99 2.31 3h2xA1 LYS 39 HE3 0.17 0.07 -0.13 -0.04 2.99 3.05 3h2xA1 ALA 40 H -0.05 0.09 0.14 -0.55 8.40 8.04 3h2xA1 ALA 40 HA -0.01 0.14 0.62 -0.75 4.34 4.33 3h2xA1 ALA 40 HB3 -0.04 -0.00 0.09 -0.04 1.41 1.41 3h2xA1 ASP 41 H -0.01 0.13 0.14 -0.55 8.40 8.10 3h2xA1 ASP 41 HA -0.01 0.13 0.34 -0.75 4.63 4.34 3h2xA1 ASP 41 HB2 -0.01 -0.06 0.10 -0.04 2.71 2.70 3h2xA1 ASP 41 HB3 -0.00 0.05 0.03 -0.04 2.70 2.73 3h2xA1 LYS 42 H -0.02 -0.02 -0.25 -0.55 8.42 7.58 3h2xA1 LYS 42 HA -0.00 0.25 0.67 -0.75 4.32 4.48 3h2xA1 LYS 42 HB2 -0.03 -0.03 0.00 -0.04 1.87 1.77 3h2xA1 LYS 42 HB3 -0.02 0.01 0.11 -0.04 1.79 1.85 3h2xA1 LYS 42 HG2 -0.01 0.06 -0.08 -0.04 1.46 1.39 3h2xA1 LYS 42 HG3 -0.01 -0.10 -0.06 -0.04 1.46 1.25 3h2xA1 LYS 42 HD2 -0.01 0.00 -0.02 -0.04 1.69 1.62 3h2xA1 LYS 42 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.61 3h2xA1 LYS 42 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 3h2xA1 LYS 42 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.96 3h2xA1 THR 43 H -0.05 0.36 -0.43 -0.55 8.28 7.61 3h2xA1 THR 43 HA -0.18 -0.05 0.37 -0.75 4.39 3.78 3h2xA1 THR 43 HB -0.07 0.15 0.05 -0.04 4.32 4.42 3h2xA1 THR 43 HG23 -0.48 0.03 -0.04 -0.04 1.22 0.69 3h2xA1 TYR 44 H -0.38 0.03 0.19 -0.55 8.29 7.58 3h2xA1 TYR 44 HA -0.15 -0.03 0.43 -0.75 4.56 4.07 3h2xA1 TYR 44 HB2 -0.09 0.15 -0.16 -0.04 3.06 2.91 3h2xA1 TYR 44 HB3 -0.17 -0.01 0.15 -0.04 2.98 2.90 3h2xA1 TYR 44 HD2 -0.35 -0.02 0.01 -0.04 7.15 6.75 3h2xA1 TYR 44 HE2 -0.20 0.10 0.06 -0.04 6.85 6.77 3h2xA1 PRO 45 HA 0.09 0.13 0.47 -0.51 4.44 4.61 3h2xA1 PRO 45 HB2 0.07 -0.15 0.08 -0.04 2.28 2.24 3h2xA1 PRO 45 HB3 0.04 0.13 0.12 -0.04 2.02 2.26 3h2xA1 PRO 45 HG2 0.11 -0.13 0.18 -0.04 2.03 2.15 3h2xA1 PRO 45 HG3 0.04 0.06 0.12 -0.04 2.03 2.21 3h2xA1 PRO 45 HD2 0.04 0.00 0.28 -0.04 3.68 3.96 3h2xA1 PRO 45 HD3 -0.01 0.32 0.16 -0.04 3.65 4.08 3h2xA1 THR 46 H 0.08 0.19 0.07 -0.55 8.28 8.08 3h2xA1 THR 46 HA 0.12 0.14 0.74 -0.75 4.39 4.63 3h2xA1 THR 46 HB 0.06 -0.00 0.03 -0.04 4.32 4.37 3h2xA1 THR 46 HG23 0.20 0.09 -0.34 -0.04 1.22 1.12 3h2xA1 THR 47 H 0.05 0.14 -0.03 -0.55 8.28 7.89 3h2xA1 THR 47 HA -0.00 0.15 0.39 -0.75 4.39 4.17 3h2xA1 THR 47 HB 0.00 0.05 0.00 -0.04 4.32 4.33 3h2xA1 THR 47 HG23 0.03 0.01 0.05 -0.04 1.22 1.26 3h2xA1 VAL 48 H 0.01 0.12 -0.09 -0.55 8.24 7.72 3h2xA1 VAL 48 HA -0.06 0.05 0.37 -0.75 4.13 3.74 3h2xA1 VAL 48 HB 0.04 0.07 0.01 -0.04 2.12 2.20 3h2xA1 VAL 48 HG13 0.02 0.01 -0.11 -0.04 0.97 0.85 3h2xA1 VAL 48 HG23 0.05 0.00 0.02 -0.04 0.95 0.98 3h2xA1 ALA 49 H -0.11 0.13 -0.32 -0.55 8.40 7.55 3h2xA1 ALA 49 HA -1.19 0.04 0.29 -0.75 4.34 2.73 3h2xA1 ALA 49 HB3 -0.00 0.05 0.01 -0.04 1.41 1.43 3h2xA1 GLU 50 H -0.11 0.19 -0.52 -0.55 8.60 7.62 3h2xA1 GLU 50 HA -0.08 0.13 0.59 -0.75 4.29 4.18 3h2xA1 GLU 50 HB2 -0.03 0.00 0.06 -0.04 2.09 2.07 3h2xA1 GLU 50 HB3 -0.03 -0.08 0.09 -0.04 1.99 1.94 3h2xA1 GLU 50 HG2 -0.02 0.00 -0.06 -0.04 2.34 2.23 3h2xA1 GLU 50 HG3 -0.02 0.31 0.03 -0.04 2.34 2.63 3h2xA1 LYS 51 H -0.15 0.33 -0.36 -0.55 8.42 7.70 3h2xA1 LYS 51 HA -0.05 0.07 0.42 -0.75 4.32 4.01 3h2xA1 LYS 51 HB2 -0.12 0.11 0.13 -0.04 1.87 1.94 3h2xA1 LYS 51 HB3 -0.05 -0.17 0.05 -0.04 1.79 1.58 3h2xA1 LYS 51 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.40 3h2xA1 LYS 51 HG3 -0.07 0.14 0.13 -0.04 1.46 1.61 3h2xA1 LYS 51 HD2 -0.05 0.02 0.06 -0.04 1.69 1.68 3h2xA1 LYS 51 HD3 -0.02 -0.06 0.02 -0.04 1.68 1.58 3h2xA1 LYS 51 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 3h2xA1 LYS 51 HE3 -0.01 -0.05 -0.04 -0.04 2.99 2.85 3h2xA1 PRO 52 HA -0.03 0.11 0.44 -0.51 4.44 4.45 3h2xA1 PRO 52 HB2 -0.01 -0.02 0.09 -0.04 2.28 2.30 3h2xA1 PRO 52 HB3 -0.01 0.04 0.11 -0.04 2.02 2.12 3h2xA1 PRO 52 HG2 -0.01 0.03 0.11 -0.04 2.03 2.11 3h2xA1 PRO 52 HG3 -0.02 0.09 0.13 -0.04 2.03 2.20 3h2xA1 PRO 52 HD2 -0.02 0.04 0.23 -0.04 3.68 3.89 3h2xA1 PRO 52 HD3 -0.03 0.19 0.26 -0.04 3.65 4.03 3h2xA1 LYS 53 H -0.03 0.09 -0.26 -0.55 8.42 7.67 3h2xA1 LYS 53 HA -0.01 0.10 0.42 -0.75 4.32 4.09 3h2xA1 LYS 53 HB2 0.01 0.04 0.06 -0.04 1.87 1.93 3h2xA1 LYS 53 HB3 -0.00 -0.01 0.06 -0.04 1.79 1.79 3h2xA1 LYS 53 HG2 -0.03 -0.09 -0.03 -0.04 1.46 1.27 3h2xA1 LYS 53 HG3 -0.02 0.07 -0.24 -0.04 1.46 1.23 3h2xA1 LYS 53 HD2 0.00 0.00 -0.01 -0.04 1.69 1.64 3h2xA1 LYS 53 HD3 0.00 -0.01 -0.03 -0.04 1.68 1.61 3h2xA1 LYS 53 HE2 0.03 -0.02 -0.07 -0.04 2.99 2.88 3h2xA1 LYS 53 HE3 0.02 0.03 -0.04 -0.04 2.99 2.95 3h2xA1 ASN 54 H -0.07 0.45 -0.40 -0.55 8.53 7.96 3h2xA1 ASN 54 HA 0.01 0.15 0.86 -0.75 4.76 5.02 3h2xA1 ASN 54 HB2 -0.32 0.20 -0.02 -0.04 2.88 2.70 3h2xA1 ASN 54 HB3 -0.50 -0.04 0.03 -0.04 2.79 2.23 3h2xA1 ASN 54 HD21 -0.03 -0.14 -0.04 -0.04 7.03 6.77 3h2xA1 ASN 54 HD22 -0.31 0.54 0.05 -0.04 7.74 7.98 3h2xA1 ILE 55 H -0.05 0.33 -0.14 -0.55 8.25 7.83 3h2xA1 ILE 55 HA -0.05 0.16 0.36 -0.75 4.18 3.90 3h2xA1 ILE 55 HB -0.02 0.02 0.10 -0.04 1.89 1.95 3h2xA1 ILE 55 HG12 -0.04 0.02 -0.04 -0.04 1.49 1.39 3h2xA1 ILE 55 HG13 -0.05 0.26 -0.14 -0.04 1.21 1.24 3h2xA1 ILE 55 HG23 -0.01 -0.02 -0.12 -0.04 0.93 0.73 3h2xA1 ILE 55 HD13 -0.02 -0.02 0.01 -0.04 0.88 0.81 3h2xA1 LYS 56 H -0.00 0.16 -0.30 -0.55 8.42 7.72 3h2xA1 LYS 56 HA -0.01 0.13 0.49 -0.75 4.32 4.17 3h2xA1 LYS 56 HB2 0.01 0.05 -0.05 -0.04 1.87 1.83 3h2xA1 LYS 56 HB3 -0.00 -0.04 0.10 -0.04 1.79 1.81 3h2xA1 LYS 56 HG2 -0.00 0.01 0.00 -0.04 1.46 1.43 3h2xA1 LYS 56 HG3 -0.00 -0.00 0.01 -0.04 1.46 1.42 3h2xA1 LYS 56 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.63 3h2xA1 LYS 56 HD3 -0.01 0.03 -0.08 -0.04 1.68 1.58 3h2xA1 LYS 56 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.95 3h2xA1 LYS 56 HE3 -0.00 -0.01 -0.00 -0.04 2.99 2.93 3h2xA1 LYS 57 H 0.04 0.62 -0.54 -0.55 8.42 7.98 3h2xA1 LYS 57 HA 0.02 0.03 0.64 -0.75 4.32 4.26 3h2xA1 LYS 57 HB2 0.26 0.21 0.06 -0.04 1.87 2.36 3h2xA1 LYS 57 HB3 0.12 -0.11 0.12 -0.04 1.79 1.87 3h2xA1 LYS 57 HG2 0.06 -0.04 -0.06 -0.04 1.46 1.38 3h2xA1 LYS 57 HG3 0.07 -0.04 -0.07 -0.04 1.46 1.37 3h2xA1 LYS 57 HD2 0.26 -0.02 0.02 -0.04 1.69 1.90 3h2xA1 LYS 57 HD3 0.15 0.04 0.02 -0.04 1.68 1.84 3h2xA1 LYS 57 HE2 0.06 -0.03 0.05 -0.04 2.99 3.04 3h2xA1 LYS 57 HE3 0.06 0.22 0.10 -0.04 2.99 3.33 3h2xA1 ASN 58 H 0.02 0.36 -0.34 -0.55 8.53 8.02 3h2xA1 ASN 58 HA 0.02 0.09 0.93 -0.75 4.76 5.05 3h2xA1 ASN 58 HB2 0.02 0.09 -0.00 -0.04 2.88 2.94 3h2xA1 ASN 58 HB3 0.04 0.03 -0.15 -0.04 2.79 2.66 3h2xA1 ASN 58 HD21 -0.06 0.14 -0.04 -0.04 7.03 7.03 3h2xA1 ASN 58 HD22 -0.01 0.02 0.03 -0.04 7.74 7.74 3h2xA1 ARG 59 H -0.08 0.18 0.15 -0.55 8.46 8.16 3h2xA1 ARG 59 HA -0.23 0.07 0.42 -0.75 4.34 3.84 3h2xA1 ARG 59 HB2 -0.19 0.08 0.14 -0.04 1.90 1.89 3h2xA1 ARG 59 HB3 -0.25 -0.03 0.16 -0.04 1.80 1.64 3h2xA1 ARG 59 HG2 -1.39 -0.07 -0.13 -0.04 1.67 0.03 3h2xA1 ARG 59 HG3 -0.41 -0.02 0.07 -0.04 1.67 1.27 3h2xA1 ARG 59 HD2 -0.07 0.03 -0.04 -0.04 3.22 3.09 3h2xA1 ARG 59 HD3 -0.19 -0.06 0.01 -0.04 3.22 2.94 3h2xA1 TYR 60 H -0.00 0.21 -0.07 -0.55 8.29 7.87 3h2xA1 TYR 60 HA -0.01 0.18 0.88 -0.75 4.56 4.86 3h2xA1 TYR 60 HB2 -0.03 0.04 0.15 -0.04 3.06 3.18 3h2xA1 TYR 60 HB3 -0.02 -0.06 0.03 -0.04 2.98 2.88 3h2xA1 TYR 60 HD2 -0.03 0.03 0.02 -0.04 7.15 7.14 3h2xA1 TYR 60 HE2 -0.03 -0.05 -0.13 -0.04 6.85 6.61 3h2xA1 LYS 61 H 0.06 0.21 0.04 -0.55 8.42 8.18 3h2xA1 LYS 61 HA 0.03 0.17 0.27 -0.75 4.32 4.03 3h2xA1 LYS 61 HB2 0.03 -0.05 0.03 -0.04 1.87 1.83 3h2xA1 LYS 61 HB3 0.01 0.04 0.06 -0.04 1.79 1.86 3h2xA1 LYS 61 HG2 0.00 0.13 0.02 -0.04 1.46 1.57 3h2xA1 LYS 61 HG3 0.01 -0.01 0.04 -0.04 1.46 1.46 3h2xA1 LYS 61 HD2 0.01 -0.04 0.01 -0.04 1.69 1.62 3h2xA1 LYS 61 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 3h2xA1 LYS 61 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 3h2xA1 LYS 61 HE3 -0.01 0.07 -0.02 -0.04 2.99 2.99 3h2xA1 ASP 62 H 0.08 -0.03 -0.50 -0.55 8.40 7.40 3h2xA1 ASP 62 HA 0.02 0.22 0.72 -0.75 4.63 4.84 3h2xA1 ASP 62 HB2 -0.00 0.03 0.08 -0.04 2.71 2.78 3h2xA1 ASP 62 HB3 0.02 -0.01 -0.01 -0.04 2.70 2.66 3h2xA1 ILE 63 H 0.07 0.49 -0.33 -0.55 8.25 7.93 3h2xA1 ILE 63 HA -0.03 0.18 0.81 -0.75 4.18 4.39 3h2xA1 ILE 63 HB 0.10 -0.02 0.21 -0.04 1.89 2.13 3h2xA1 ILE 63 HG12 -0.02 -0.15 -0.24 -0.04 1.49 1.05 3h2xA1 ILE 63 HG13 -0.11 -0.11 -0.05 -0.04 1.21 0.90 3h2xA1 ILE 63 HG23 -0.04 0.01 -0.15 -0.04 0.93 0.70 3h2xA1 ILE 63 HD13 -0.08 0.06 -0.17 -0.04 0.88 0.65 3h2xA1 LEU 64 H -0.03 0.24 -0.12 -0.55 8.37 7.92 3h2xA1 LEU 64 HA 0.03 0.19 0.87 -0.75 4.35 4.68 3h2xA1 LEU 64 HB2 0.02 -0.01 -0.04 -0.04 1.64 1.57 3h2xA1 LEU 64 HB3 0.03 -0.00 -0.06 -0.04 1.64 1.57 3h2xA1 LEU 64 HG 0.02 -0.05 -0.39 -0.04 1.64 1.17 3h2xA1 LEU 64 HD13 0.01 -0.00 -0.09 -0.04 0.93 0.81 3h2xA1 LEU 64 HD23 0.02 0.03 -0.20 -0.04 0.89 0.70 3h2xA1 PRO 65 HA -0.24 0.07 0.46 -0.51 4.44 4.21 3h2xA1 PRO 65 HB2 -0.05 0.18 0.01 -0.04 2.28 2.38 3h2xA1 PRO 65 HB3 -0.11 -0.02 0.02 -0.04 2.02 1.87 3h2xA1 PRO 65 HG2 0.23 -0.07 0.08 -0.04 2.03 2.23 3h2xA1 PRO 65 HG3 0.10 0.04 0.18 -0.04 2.03 2.30 3h2xA1 PRO 65 HD2 0.16 0.05 0.20 -0.04 3.68 4.05 3h2xA1 PRO 65 HD3 0.05 0.14 0.18 -0.04 3.65 3.98 3h2xA1 TYR 66 H -0.32 0.17 0.15 -0.55 8.29 7.74 3h2xA1 TYR 66 HA 0.09 0.18 0.43 -0.75 4.56 4.51 3h2xA1 TYR 66 HB2 0.02 -0.02 0.08 -0.04 3.06 3.09 3h2xA1 TYR 66 HB3 0.34 -0.09 0.08 -0.04 2.98 3.27 3h2xA1 TYR 66 HD2 0.03 0.08 -0.17 -0.04 7.15 7.04 3h2xA1 TYR 66 HE2 -0.24 0.02 -0.35 -0.04 6.85 6.23 3h2xA1 ASP 67 H 0.24 0.68 0.35 -0.55 8.40 9.13 3h2xA1 ASP 67 HA 0.12 0.04 0.41 -0.75 4.63 4.46 3h2xA1 ASP 67 HB2 0.16 0.05 0.17 -0.04 2.71 3.05 3h2xA1 ASP 67 HB3 0.12 0.04 -0.02 -0.04 2.70 2.80 3h2xA1 TYR 68 H 0.38 0.10 -0.01 -0.55 8.29 8.21 3h2xA1 TYR 68 HA 0.09 0.06 0.38 -0.75 4.56 4.33 3h2xA1 TYR 68 HB2 0.06 0.00 0.14 -0.04 3.06 3.22 3h2xA1 TYR 68 HB3 0.08 -0.07 0.16 -0.04 2.98 3.11 3h2xA1 TYR 68 HD2 0.12 -0.08 -0.00 -0.04 7.15 7.15 3h2xA1 TYR 68 HE2 0.12 0.09 0.06 -0.04 6.85 7.08 3h2xA1 SER 69 H -0.27 0.11 -0.36 -0.55 8.46 7.40 3h2xA1 SER 69 HA -0.21 0.22 1.07 -0.75 4.49 4.82 3h2xA1 SER 69 HB2 -0.21 0.04 0.31 -0.04 3.95 4.05 3h2xA1 SER 69 HB3 -1.02 -0.05 0.07 -0.04 3.93 2.88 3h2xA1 ARG 70 H -0.03 0.22 -0.07 -0.55 8.46 8.02 3h2xA1 ARG 70 HA -0.14 0.19 0.65 -0.75 4.34 4.29 3h2xA1 ARG 70 HB2 -0.02 -0.00 0.09 -0.04 1.90 1.93 3h2xA1 ARG 70 HB3 0.03 0.07 0.06 -0.04 1.80 1.92 3h2xA1 ARG 70 HG2 0.06 0.56 0.22 -0.04 1.67 2.46 3h2xA1 ARG 70 HG3 0.04 -0.08 -0.20 -0.04 1.67 1.38 3h2xA1 ARG 70 HD2 0.12 -0.11 -0.01 -0.04 3.22 3.18 3h2xA1 ARG 70 HD3 0.10 -0.08 0.01 -0.04 3.22 3.21 3h2xA1 VAL 71 H -0.31 0.41 0.20 -0.55 8.24 7.99 3h2xA1 VAL 71 HA -0.46 0.09 0.61 -0.75 4.13 3.62 3h2xA1 VAL 71 HB -0.44 -0.04 0.04 -0.04 2.12 1.63 3h2xA1 VAL 71 HG13 -0.64 -0.00 -0.22 -0.04 0.97 0.07 3h2xA1 VAL 71 HG23 -1.25 -0.00 -0.27 -0.04 0.95 -0.61 3h2xA1 GLU 72 H 0.11 0.17 0.13 -0.55 8.60 8.46 3h2xA1 GLU 72 HA 0.04 0.22 0.69 -0.75 4.29 4.50 3h2xA1 GLU 72 HB2 0.16 -0.03 0.07 -0.04 2.09 2.25 3h2xA1 GLU 72 HB3 0.10 -0.05 -0.04 -0.04 1.99 1.96 3h2xA1 GLU 72 HG2 0.08 -0.04 -0.11 -0.04 2.34 2.23 3h2xA1 GLU 72 HG3 0.09 0.19 -0.06 -0.04 2.34 2.52 3h2xA1 LEU 73 H 0.06 0.56 0.31 -0.55 8.37 8.76 3h2xA1 LEU 73 HA 0.13 0.09 0.82 -0.75 4.35 4.63 3h2xA1 LEU 73 HB2 0.03 0.07 0.01 -0.04 1.64 1.71 3h2xA1 LEU 73 HB3 0.05 0.03 -0.06 -0.04 1.64 1.61 3h2xA1 LEU 73 HG 0.03 -0.06 -0.17 -0.04 1.64 1.40 3h2xA1 LEU 73 HD13 0.02 0.06 -0.33 -0.04 0.93 0.64 3h2xA1 LEU 73 HD23 -0.05 0.01 -0.20 -0.04 0.89 0.61 3h2xA1 SER 74 H 0.06 0.18 0.11 -0.55 8.46 8.26 3h2xA1 SER 74 HA 0.05 0.20 0.81 -0.75 4.49 4.79 3h2xA1 SER 74 HB2 0.04 -0.02 0.07 -0.04 3.95 4.00 3h2xA1 SER 74 HB3 0.05 0.01 -0.09 -0.04 3.93 3.86 3h2xA1 LEU 75 H 0.05 0.04 -0.01 -0.55 8.37 7.90 3h2xA1 LEU 75 HA 0.07 0.08 0.56 -0.75 4.35 4.31 3h2xA1 LEU 75 HB2 0.06 0.01 0.11 -0.04 1.64 1.79 3h2xA1 LEU 75 HB3 0.07 -0.02 0.14 -0.04 1.64 1.78 3h2xA1 LEU 75 HG 0.08 0.02 -0.02 -0.04 1.64 1.69 3h2xA1 LEU 75 HD13 0.02 0.01 -0.01 -0.04 0.93 0.92 3h2xA1 LEU 75 HD23 -0.01 0.01 -0.38 -0.04 0.89 0.47 3h2xA1 ILE 76 H 0.07 0.19 0.18 -0.55 8.25 8.14 3h2xA1 ILE 76 HA 0.06 0.11 0.72 -0.75 4.18 4.32 3h2xA1 ILE 76 HB 0.05 -0.02 0.05 -0.04 1.89 1.93 3h2xA1 ILE 76 HG12 0.05 0.19 -0.01 -0.04 1.49 1.68 3h2xA1 ILE 76 HG13 0.04 -0.04 -0.03 -0.04 1.21 1.14 3h2xA1 ILE 76 HG23 0.04 -0.01 -0.10 -0.04 0.93 0.82 3h2xA1 ILE 76 HD13 0.05 0.02 -0.34 -0.04 0.88 0.56 3h2xA1 THR 77 H 0.07 0.05 0.17 -0.55 8.28 8.02 3h2xA1 THR 77 HA 0.06 0.23 0.95 -0.75 4.39 4.89 3h2xA1 THR 77 HB 0.06 -0.00 0.03 -0.04 4.32 4.37 3h2xA1 THR 77 HG23 0.12 0.04 -0.21 -0.04 1.22 1.14 3h2xA1 SER 78 H 0.06 0.03 0.20 -0.55 8.46 8.20 3h2xA1 SER 78 HA 0.02 0.26 0.82 -0.75 4.49 4.84 3h2xA1 SER 78 HB2 0.03 0.00 0.09 -0.04 3.95 4.03 3h2xA1 SER 78 HB3 0.04 0.05 0.02 -0.04 3.93 4.00 3h2xA1 ASP 79 H 0.02 0.20 0.06 -0.55 8.40 8.13 3h2xA1 ASP 79 HA 0.03 0.24 0.84 -0.75 4.63 4.98 3h2xA1 ASP 79 HB2 0.01 0.01 0.07 -0.04 2.71 2.77 3h2xA1 ASP 79 HB3 0.02 0.01 0.21 -0.04 2.70 2.89 3h2xA1 GLU 80 H 0.04 0.02 -0.39 -0.55 8.60 7.73 3h2xA1 GLU 80 HA 0.03 0.14 0.42 -0.75 4.29 4.12 3h2xA1 GLU 80 HB2 0.03 0.03 0.15 -0.04 2.09 2.25 3h2xA1 GLU 80 HB3 0.02 0.08 -0.16 -0.04 1.99 1.89 3h2xA1 GLU 80 HG2 0.04 -0.13 -0.18 -0.04 2.34 2.02 3h2xA1 GLU 80 HG3 0.04 0.04 -0.26 -0.04 2.34 2.12 3h2xA1 ASP 81 H 0.04 0.09 0.08 -0.55 8.40 8.07 3h2xA1 ASP 81 HA 0.05 0.14 0.81 -0.75 4.63 4.87 3h2xA1 ASP 81 HB2 0.05 0.04 0.21 -0.04 2.71 2.97 3h2xA1 ASP 81 HB3 0.06 0.20 0.05 -0.04 2.70 2.97 3h2xA1 SER 82 H 0.06 0.14 0.16 -0.55 8.46 8.28 3h2xA1 SER 82 HA 0.05 0.19 0.73 -0.75 4.49 4.71 3h2xA1 SER 82 HB2 0.07 -0.06 0.15 -0.04 3.95 4.07 3h2xA1 SER 82 HB3 0.06 0.06 0.00 -0.04 3.93 4.01 3h2xA1 SER 83 H 0.08 0.09 0.15 -0.55 8.46 8.23 3h2xA1 SER 83 HA 0.06 0.44 0.73 -0.75 4.49 4.97 3h2xA1 SER 83 HB2 0.07 -0.08 0.14 -0.04 3.95 4.04 3h2xA1 SER 83 HB3 0.07 0.03 0.10 -0.04 3.93 4.08 3h2xA1 TYR 84 H 0.16 -0.06 -0.30 -0.55 8.29 7.54 3h2xA1 TYR 84 HA -0.01 0.26 0.81 -0.75 4.56 4.85 3h2xA1 TYR 84 HB2 -0.00 -0.06 -0.05 -0.04 3.06 2.91 3h2xA1 TYR 84 HB3 -0.00 -0.04 -0.00 -0.04 2.98 2.90 3h2xA1 TYR 84 HD2 -0.02 -0.03 -0.16 -0.04 7.15 6.90 3h2xA1 TYR 84 HE2 -0.03 0.03 -0.13 -0.04 6.85 6.68 3h2xA1 ILE 85 H -0.84 0.42 0.24 -0.55 8.25 7.51 3h2xA1 ILE 85 HA -0.50 0.06 0.54 -0.75 4.18 3.52 3h2xA1 ILE 85 HB -0.22 0.05 -0.14 -0.04 1.89 1.53 3h2xA1 ILE 85 HG12 -0.27 0.05 -0.30 -0.04 1.49 0.92 3h2xA1 ILE 85 HG13 -0.22 -0.07 0.03 -0.04 1.21 0.92 3h2xA1 ILE 85 HG23 -0.28 0.03 -0.10 -0.04 0.93 0.53 3h2xA1 ILE 85 HD13 -0.20 -0.00 -0.23 -0.04 0.88 0.40 3h2xA1 ASN 86 H -0.36 0.17 0.11 -0.55 8.53 7.91 3h2xA1 ASN 86 HA -0.24 0.10 0.69 -0.75 4.76 4.55 3h2xA1 ASN 86 HB2 -0.02 0.06 0.18 -0.04 2.88 3.06 3h2xA1 ASN 86 HB3 -0.10 -0.09 0.32 -0.04 2.79 2.88 3h2xA1 ASN 86 HD21 0.02 0.50 0.22 -0.04 7.03 7.73 3h2xA1 ASN 86 HD22 0.06 -0.13 0.15 -0.04 7.74 7.77 3h2xA1 ALA 87 H -0.25 0.43 0.40 -0.55 8.40 8.44 3h2xA1 ALA 87 HA -0.19 0.24 0.78 -0.75 4.34 4.41 3h2xA1 ALA 87 HB3 -0.30 0.00 -0.16 -0.04 1.41 0.91 3h2xA1 ASN 88 H -0.22 0.62 0.39 -0.55 8.53 8.77 3h2xA1 ASN 88 HA -0.26 0.21 0.93 -0.75 4.76 4.89 3h2xA1 ASN 88 HB2 -0.16 -0.12 0.06 -0.04 2.88 2.63 3h2xA1 ASN 88 HB3 -0.13 0.27 0.09 -0.04 2.79 2.98 3h2xA1 ASN 88 HD21 -0.12 -0.23 0.04 -0.04 7.03 6.68 3h2xA1 ASN 88 HD22 -0.13 -0.00 -0.29 -0.04 7.74 7.27 3h2xA1 PHE 89 H -0.07 0.61 0.30 -0.55 8.34 8.63 3h2xA1 PHE 89 HA -0.10 0.17 0.84 -0.75 4.62 4.78 3h2xA1 PHE 89 HB2 -0.11 0.03 0.20 -0.04 3.15 3.22 3h2xA1 PHE 89 HB3 -0.07 0.10 0.10 -0.04 3.06 3.14 3h2xA1 PHE 89 HD2 -0.14 0.11 -0.02 -0.04 7.28 7.19 3h2xA1 PHE 89 HE2 -0.29 -0.01 -0.01 -0.04 7.38 7.03 3h2xA1 PHE 89 HZ -1.20 -0.01 -0.02 -0.04 7.32 6.05 3h2xA1 ILE 90 H 0.19 0.61 0.30 -0.55 8.25 8.80 3h2xA1 ILE 90 HA 0.07 0.16 0.90 -0.75 4.18 4.56 3h2xA1 ILE 90 HB 0.22 -0.11 0.02 -0.04 1.89 1.98 3h2xA1 ILE 90 HG12 0.00 0.11 -0.17 -0.04 1.49 1.39 3h2xA1 ILE 90 HG13 0.01 0.02 -0.42 -0.04 1.21 0.77 3h2xA1 ILE 90 HG23 0.02 0.04 -0.07 -0.04 0.93 0.87 3h2xA1 ILE 90 HD13 -0.06 -0.03 -0.11 -0.04 0.88 0.64 3h2xA1 LYS 91 H 0.06 0.13 0.12 -0.55 8.42 8.17 3h2xA1 LYS 91 HA 0.04 0.02 0.51 -0.75 4.32 4.13 3h2xA1 LYS 91 HB2 0.01 -0.04 0.09 -0.04 1.87 1.89 3h2xA1 LYS 91 HB3 0.04 0.11 -0.02 -0.04 1.79 1.88 3h2xA1 LYS 91 HG2 0.03 -0.06 0.11 -0.04 1.46 1.50 3h2xA1 LYS 91 HG3 0.05 0.03 0.09 -0.04 1.46 1.59 3h2xA1 LYS 91 HD2 0.06 -0.00 0.01 -0.04 1.69 1.72 3h2xA1 LYS 91 HD3 0.05 0.01 -0.03 -0.04 1.68 1.67 3h2xA1 LYS 91 HE2 0.07 -0.03 -0.00 -0.04 2.99 2.99 3h2xA1 LYS 91 HE3 0.05 -0.03 0.01 -0.04 2.99 2.98 3h2xA1 GLY 92 H 0.03 0.71 0.31 -0.55 8.43 8.93 3h2xA1 GLY 92 HA2 0.39 0.21 0.82 -0.51 4.01 4.92 3h2xA1 GLY 92 HA3 0.01 -0.09 0.39 -0.51 4.01 3.80 3h2xA1 VAL 93 H 0.02 0.12 0.13 -0.55 8.24 7.96 3h2xA1 VAL 93 HA 0.02 0.16 0.45 -0.75 4.13 4.01 3h2xA1 VAL 93 HB -0.67 -0.05 0.09 -0.04 2.12 1.45 3h2xA1 VAL 93 HG13 -0.64 0.03 -0.15 -0.04 0.97 0.16 3h2xA1 VAL 93 HG23 -0.43 -0.02 -0.08 -0.04 0.95 0.38 3h2xA1 TYR 94 H -0.10 -0.06 -0.02 -0.55 8.29 7.56 3h2xA1 TYR 94 HA 0.01 0.29 0.88 -0.75 4.56 4.99 3h2xA1 TYR 94 HB2 -0.04 -0.13 0.03 -0.04 3.06 2.89 3h2xA1 TYR 94 HB3 -0.02 0.05 0.04 -0.04 2.98 3.00 3h2xA1 TYR 94 HD2 -0.03 -0.02 0.00 -0.04 7.15 7.05 3h2xA1 TYR 94 HE2 -0.05 0.10 0.01 -0.04 6.85 6.88 3h2xA1 GLY 95 H 0.05 -0.03 -0.04 -0.55 8.43 7.85 3h2xA1 GLY 95 HA2 0.02 0.31 0.84 -0.51 4.01 4.67 3h2xA1 GLY 95 HA3 0.00 0.09 0.20 -0.51 4.01 3.79 3h2xA1 PRO 96 HA -0.01 0.05 0.55 -0.51 4.44 4.52 3h2xA1 PRO 96 HB2 -0.08 0.08 0.04 -0.04 2.28 2.27 3h2xA1 PRO 96 HB3 -0.02 0.03 0.08 -0.04 2.02 2.08 3h2xA1 PRO 96 HG2 -0.12 0.07 0.01 -0.04 2.03 1.95 3h2xA1 PRO 96 HG3 -0.05 0.05 0.05 -0.04 2.03 2.04 3h2xA1 PRO 96 HD2 -0.04 0.14 0.20 -0.04 3.68 3.93 3h2xA1 PRO 96 HD3 -0.01 0.18 0.14 -0.04 3.65 3.92 3h2xA1 LYS 97 H -0.11 0.11 -0.37 -0.55 8.42 7.49 3h2xA1 LYS 97 HA -0.12 0.23 0.79 -0.75 4.32 4.46 3h2xA1 LYS 97 HB2 -0.20 0.05 0.03 -0.04 1.87 1.70 3h2xA1 LYS 97 HB3 -0.35 0.03 0.08 -0.04 1.79 1.52 3h2xA1 LYS 97 HG2 -1.39 0.08 -0.14 -0.04 1.46 -0.03 3h2xA1 LYS 97 HG3 -0.41 -0.13 -0.29 -0.04 1.46 0.59 3h2xA1 LYS 97 HD2 -0.25 0.02 -0.03 -0.04 1.69 1.40 3h2xA1 LYS 97 HD3 -0.71 0.03 -0.02 -0.04 1.68 0.94 3h2xA1 LYS 97 HE2 -0.59 0.03 -0.03 -0.04 2.99 2.36 3h2xA1 LYS 97 HE3 -0.27 -0.04 -0.05 -0.04 2.99 2.59 3h2xA1 ALA 98 H -0.08 0.21 -0.20 -0.55 8.40 7.78 3h2xA1 ALA 98 HA -0.21 0.13 0.45 -0.75 4.34 3.95 3h2xA1 ALA 98 HB3 -0.48 -0.00 0.05 -0.04 1.41 0.94 3h2xA1 TYR 99 H 0.03 0.47 0.10 -0.55 8.29 8.33 3h2xA1 TYR 99 HA 0.01 0.26 1.10 -0.75 4.56 5.18 3h2xA1 TYR 99 HB2 0.00 -0.05 -0.05 -0.04 3.06 2.92 3h2xA1 TYR 99 HB3 -0.01 0.01 0.04 -0.04 2.98 2.98 3h2xA1 TYR 99 HD2 0.01 0.09 -0.15 -0.04 7.15 7.06 3h2xA1 TYR 99 HE2 0.07 0.05 -0.10 -0.04 6.85 6.83 3h2xA1 ILE 100 H 0.07 0.64 0.31 -0.55 8.25 8.72 3h2xA1 ILE 100 HA -0.12 0.30 0.95 -0.75 4.18 4.56 3h2xA1 ILE 100 HB -0.12 -0.07 0.02 -0.04 1.89 1.68 3h2xA1 ILE 100 HG12 -0.53 0.05 -0.12 -0.04 1.49 0.86 3h2xA1 ILE 100 HG13 -0.01 -0.02 -0.38 -0.04 1.21 0.76 3h2xA1 ILE 100 HG23 -0.30 -0.01 -0.30 -0.04 0.93 0.28 3h2xA1 ILE 100 HD13 -0.28 -0.00 -0.17 -0.04 0.88 0.39 3h2xA1 ALA 101 H -0.11 0.72 0.24 -0.55 8.40 8.71 3h2xA1 ALA 101 HA -0.05 0.16 0.93 -0.75 4.34 4.63 3h2xA1 ALA 101 HB3 -0.08 0.01 0.05 -0.04 1.41 1.35 3h2xA1 THR 102 H -0.03 0.48 0.34 -0.55 8.28 8.53 3h2xA1 THR 102 HA -0.12 0.22 0.97 -0.75 4.39 4.71 3h2xA1 THR 102 HB -0.18 -0.06 -0.25 -0.04 4.32 3.80 3h2xA1 THR 102 HG23 -0.05 0.03 -0.22 -0.04 1.22 0.95 3h2xA1 GLN 103 H -0.09 0.41 0.19 -0.55 8.47 8.44 3h2xA1 GLN 103 HA 0.01 -0.19 -0.05 -0.75 4.36 3.37 3h2xA1 GLN 103 HB2 -0.01 0.08 0.23 -0.04 2.15 2.41 3h2xA1 GLN 103 HB3 -0.02 0.06 0.14 -0.04 2.02 2.15 3h2xA1 GLN 103 HG2 -0.10 0.00 0.02 -0.04 2.40 2.28 3h2xA1 GLN 103 HG3 -0.10 0.18 -0.59 -0.04 2.39 1.84 3h2xA1 GLN 103 HE21 -0.05 0.25 0.15 -0.04 6.97 7.28 3h2xA1 GLN 103 HE22 -0.09 -0.13 0.02 -0.04 7.69 7.44 3h2xA1 GLY 104 H 0.01 0.62 0.21 -0.55 8.43 8.73 3h2xA1 GLY 104 HA2 -0.25 0.05 0.53 -0.51 4.01 3.83 3h2xA1 GLY 104 HA3 0.01 0.17 0.47 -0.51 4.01 4.15 3h2xA1 PRO 105 HA -0.18 0.02 0.38 -0.51 4.44 4.15 3h2xA1 PRO 105 HB2 -0.28 -0.00 -0.20 -0.04 2.28 1.76 3h2xA1 PRO 105 HB3 -0.38 0.07 0.00 -0.04 2.02 1.67 3h2xA1 PRO 105 HG2 -0.28 0.04 0.01 -0.04 2.03 1.76 3h2xA1 PRO 105 HG3 -1.19 0.03 -0.01 -0.04 2.03 0.83 3h2xA1 PRO 105 HD2 -0.51 0.04 0.20 -0.04 3.68 3.36 3h2xA1 PRO 105 HD3 -0.89 0.23 0.15 -0.04 3.65 3.09 3h2xA1 LEU 106 H -0.11 0.10 0.15 -0.55 8.37 7.97 3h2xA1 LEU 106 HA -0.08 0.19 0.68 -0.75 4.35 4.38 3h2xA1 LEU 106 HB2 -0.06 -0.06 0.06 -0.04 1.64 1.54 3h2xA1 LEU 106 HB3 -0.06 -0.03 0.13 -0.04 1.64 1.64 3h2xA1 LEU 106 HG -0.10 0.07 -0.04 -0.04 1.64 1.53 3h2xA1 LEU 106 HD13 -0.06 0.03 -0.31 -0.04 0.93 0.55 3h2xA1 LEU 106 HD23 -0.12 0.01 -0.00 -0.04 0.89 0.74 3h2xA1 SER 107 H -0.04 0.23 0.15 -0.55 8.46 8.26 3h2xA1 SER 107 HA -0.00 0.10 0.35 -0.75 4.49 4.19 3h2xA1 SER 107 HB2 0.02 0.05 0.10 -0.04 3.95 4.07 3h2xA1 SER 107 HB3 -0.01 0.03 0.13 -0.04 3.93 4.04 3h2xA1 THR 108 H -0.02 0.06 -0.37 -0.55 8.28 7.40 3h2xA1 THR 108 HA 0.03 0.18 0.66 -0.75 4.39 4.50 3h2xA1 THR 108 HB 0.01 0.04 0.09 -0.04 4.32 4.43 3h2xA1 THR 108 HG23 0.01 -0.00 -0.02 -0.04 1.22 1.16 3h2xA1 THR 109 H -0.03 0.48 -0.27 -0.55 8.28 7.90 3h2xA1 THR 109 HA -0.01 0.25 1.07 -0.75 4.39 4.95 3h2xA1 THR 109 HB -0.06 0.01 0.21 -0.04 4.32 4.44 3h2xA1 THR 109 HG23 -0.02 0.06 -0.07 -0.04 1.22 1.15 3h2xA1 LEU 110 H -0.02 0.29 -0.17 -0.55 8.37 7.92 3h2xA1 LEU 110 HA -0.23 0.09 0.38 -0.75 4.35 3.83 3h2xA1 LEU 110 HB2 0.06 0.02 0.06 -0.04 1.64 1.74 3h2xA1 LEU 110 HB3 -0.55 0.04 -0.06 -0.04 1.64 1.04 3h2xA1 LEU 110 HG -0.07 0.14 -0.12 -0.04 1.64 1.55 3h2xA1 LEU 110 HD13 0.18 0.02 -0.03 -0.04 0.93 1.06 3h2xA1 LEU 110 HD23 -0.20 -0.01 -0.31 -0.04 0.89 0.33 3h2xA1 LEU 111 H 0.07 0.15 -0.22 -0.55 8.37 7.82 3h2xA1 LEU 111 HA 0.23 0.13 0.34 -0.75 4.35 4.29 3h2xA1 LEU 111 HB2 0.23 -0.01 -0.03 -0.04 1.64 1.78 3h2xA1 LEU 111 HB3 0.12 0.02 0.01 -0.04 1.64 1.75 3h2xA1 LEU 111 HG 0.16 0.04 -0.30 -0.04 1.64 1.49 3h2xA1 LEU 111 HD13 0.37 0.01 -0.11 -0.04 0.93 1.16 3h2xA1 LEU 111 HD23 0.13 -0.02 -0.05 -0.04 0.89 0.92 3h2xA1 ASP 112 H 0.02 0.08 -0.30 -0.55 8.40 7.65 3h2xA1 ASP 112 HA 0.00 0.07 0.39 -0.75 4.63 4.35 3h2xA1 ASP 112 HB2 -0.05 0.07 0.14 -0.04 2.71 2.83 3h2xA1 ASP 112 HB3 -0.07 0.08 0.02 -0.04 2.70 2.69 3h2xA1 PHE 113 H -0.03 0.52 -0.23 -0.55 8.34 8.04 3h2xA1 PHE 113 HA -0.36 0.04 0.34 -0.75 4.62 3.89 3h2xA1 PHE 113 HB2 -0.43 0.01 0.10 -0.04 3.15 2.79 3h2xA1 PHE 113 HB3 -0.61 0.15 0.14 -0.04 3.06 2.70 3h2xA1 PHE 113 HD2 -1.17 0.04 -0.13 -0.04 7.28 5.97 3h2xA1 PHE 113 HE2 -1.20 0.02 -0.15 -0.04 7.38 6.01 3h2xA1 PHE 113 HZ -0.82 -0.02 -0.15 -0.04 7.32 6.28 3h2xA1 TRP 114 H -0.09 0.45 -0.20 -0.55 7.97 7.58 3h2xA1 TRP 114 HA -0.39 0.03 0.42 -0.75 4.62 3.92 3h2xA1 TRP 114 HB2 -0.45 0.09 0.10 -0.04 3.23 2.93 3h2xA1 TRP 114 HB3 -1.15 -0.03 -0.06 -0.04 3.23 1.94 3h2xA1 TRP 114 HD1 -0.74 0.02 -0.06 -0.04 7.22 6.41 3h2xA1 TRP 114 HE1 -0.02 0.19 0.04 -0.04 10.20 10.37 3h2xA1 TRP 114 HE3 -0.13 -0.05 -0.04 -0.04 7.59 7.33 3h2xA1 TRP 114 HZ2 0.47 0.12 -0.05 -0.04 7.44 7.94 3h2xA1 TRP 114 HZ3 0.09 0.03 -0.15 -0.04 7.13 7.05 3h2xA1 TRP 114 HH2 0.25 -0.04 -0.13 -0.04 7.19 7.23 3h2xA1 ARG 115 H -0.11 0.48 -0.24 -0.55 8.46 8.04 3h2xA1 ARG 115 HA 0.02 -0.01 0.37 -0.75 4.34 3.97 3h2xA1 ARG 115 HB2 -0.01 0.12 0.17 -0.04 1.90 2.14 3h2xA1 ARG 115 HB3 0.06 -0.02 -0.01 -0.04 1.80 1.78 3h2xA1 ARG 115 HG2 0.24 -0.05 -0.04 -0.04 1.67 1.79 3h2xA1 ARG 115 HG3 0.19 0.23 -0.01 -0.04 1.67 2.04 3h2xA1 ARG 115 HD2 0.13 -0.17 -0.09 -0.04 3.22 3.05 3h2xA1 ARG 115 HD3 0.07 -0.07 -0.11 -0.04 3.22 3.07 3h2xA1 MET 116 H -0.18 0.60 -0.27 -0.55 8.47 8.07 3h2xA1 MET 116 HA 0.07 -0.00 0.32 -0.75 4.52 4.15 3h2xA1 MET 116 HB2 -0.19 0.01 -0.00 -0.04 2.15 1.92 3h2xA1 MET 116 HB3 -0.42 0.16 0.11 -0.04 2.03 1.84 3h2xA1 MET 116 HG2 -0.27 -0.00 -0.37 -0.04 2.63 1.95 3h2xA1 MET 116 HG3 -0.17 -0.02 -0.12 -0.04 2.56 2.21 3h2xA1 MET 116 HE3 -0.48 -0.01 -0.13 -0.04 2.10 1.44 3h2xA1 ILE 117 H -0.42 0.52 -0.09 -0.55 8.25 7.71 3h2xA1 ILE 117 HA -0.20 0.00 0.27 -0.75 4.18 3.50 3h2xA1 ILE 117 HB -0.09 0.04 0.06 -0.04 1.89 1.86 3h2xA1 ILE 117 HG12 -1.28 0.24 0.01 -0.04 1.49 0.42 3h2xA1 ILE 117 HG13 -1.25 -0.07 -0.12 -0.04 1.21 -0.28 3h2xA1 ILE 117 HG23 0.07 -0.01 -0.24 -0.04 0.93 0.71 3h2xA1 ILE 117 HD13 -0.54 -0.02 -0.12 -0.04 0.88 0.16 3h2xA1 TRP 118 H 0.16 0.60 -0.29 -0.55 7.97 7.88 3h2xA1 TRP 118 HA 0.04 0.04 0.40 -0.75 4.62 4.34 3h2xA1 TRP 118 HB2 -0.01 0.02 0.03 -0.04 3.23 3.23 3h2xA1 TRP 118 HB3 -0.04 0.04 0.11 -0.04 3.23 3.29 3h2xA1 TRP 118 HD1 -0.06 0.03 -0.27 -0.04 7.22 6.87 3h2xA1 TRP 118 HE1 0.16 -0.02 -0.05 -0.04 10.20 10.24 3h2xA1 TRP 118 HE3 0.18 0.02 -0.14 -0.04 7.59 7.61 3h2xA1 TRP 118 HZ2 0.22 -0.04 -0.07 -0.04 7.44 7.51 3h2xA1 TRP 118 HZ3 0.14 0.16 -0.16 -0.04 7.13 7.24 3h2xA1 TRP 118 HH2 0.15 -0.03 -0.35 -0.04 7.19 6.92 3h2xA1 GLU 119 H 0.17 0.73 0.03 -0.55 8.60 8.99 3h2xA1 GLU 119 HA 0.05 -0.04 0.36 -0.75 4.29 3.91 3h2xA1 GLU 119 HB2 0.03 -0.04 0.17 -0.04 2.09 2.21 3h2xA1 GLU 119 HB3 -0.04 0.09 0.14 -0.04 1.99 2.13 3h2xA1 GLU 119 HG2 -0.71 0.08 -0.15 -0.04 2.34 1.51 3h2xA1 GLU 119 HG3 -0.14 -0.05 0.07 -0.04 2.34 2.18 3h2xA1 TYR 120 H 0.11 0.53 -0.29 -0.55 8.29 8.09 3h2xA1 TYR 120 HA 0.00 0.15 0.78 -0.75 4.56 4.73 3h2xA1 TYR 120 HB2 -0.02 0.08 0.03 -0.04 3.06 3.10 3h2xA1 TYR 120 HB3 0.05 -0.02 0.13 -0.04 2.98 3.10 3h2xA1 TYR 120 HD2 0.03 0.10 0.01 -0.04 7.15 7.25 3h2xA1 TYR 120 HE2 0.08 -0.00 -0.05 -0.04 6.85 6.84 3h2xA1 SER 121 H -0.12 0.47 -0.47 -0.55 8.46 7.79 3h2xA1 SER 121 HA -0.22 0.03 0.33 -0.75 4.49 3.87 3h2xA1 SER 121 HB2 -0.06 0.10 -0.08 -0.04 3.95 3.87 3h2xA1 SER 121 HB3 -0.11 -0.09 0.16 -0.04 3.93 3.85 3h2xA1 VAL 122 H -0.03 0.35 -0.17 -0.55 8.24 7.84 3h2xA1 VAL 122 HA -0.00 0.17 0.47 -0.75 4.13 4.02 3h2xA1 VAL 122 HB -0.06 -0.08 0.01 -0.04 2.12 1.95 3h2xA1 VAL 122 HG13 -0.03 0.00 -0.10 -0.04 0.97 0.80 3h2xA1 VAL 122 HG23 -0.04 0.02 -0.11 -0.04 0.95 0.79 3h2xA1 LEU 123 H 0.03 0.11 0.24 -0.55 8.37 8.20 3h2xA1 LEU 123 HA 0.05 0.24 0.94 -0.75 4.35 4.83 3h2xA1 LEU 123 HB2 0.06 0.08 0.05 -0.04 1.64 1.80 3h2xA1 LEU 123 HB3 0.08 -0.03 0.13 -0.04 1.64 1.79 3h2xA1 LEU 123 HG 0.31 -0.09 -0.24 -0.04 1.64 1.58 3h2xA1 LEU 123 HD13 0.21 0.02 0.10 -0.04 0.93 1.23 3h2xA1 LEU 123 HD23 0.18 -0.01 -0.04 -0.04 0.89 0.97 3h2xA1 ILE 124 H 0.06 0.12 0.24 -0.55 8.25 8.11 3h2xA1 ILE 124 HA 0.19 0.32 1.14 -0.75 4.18 5.08 3h2xA1 ILE 124 HB 0.02 -0.04 0.14 -0.04 1.89 1.97 3h2xA1 ILE 124 HG12 0.10 -0.07 -0.06 -0.04 1.49 1.42 3h2xA1 ILE 124 HG13 0.01 0.07 -0.00 -0.04 1.21 1.24 3h2xA1 ILE 124 HG23 -0.01 0.00 -0.10 -0.04 0.93 0.78 3h2xA1 ILE 124 HD13 0.24 0.03 -0.09 -0.04 0.88 1.02 3h2xA1 ILE 125 H 0.20 0.63 0.35 -0.55 8.25 8.88 3h2xA1 ILE 125 HA 0.07 0.28 1.03 -0.75 4.18 4.81 3h2xA1 ILE 125 HB 0.18 -0.09 0.05 -0.04 1.89 1.99 3h2xA1 ILE 125 HG12 -0.05 0.05 -0.13 -0.04 1.49 1.33 3h2xA1 ILE 125 HG13 0.06 -0.01 -0.47 -0.04 1.21 0.75 3h2xA1 ILE 125 HG23 0.24 -0.01 -0.25 -0.04 0.93 0.86 3h2xA1 ILE 125 HD13 -0.01 -0.01 -0.18 -0.04 0.88 0.64 3h2xA1 VAL 126 H 0.05 0.92 0.38 -0.55 8.24 9.05 3h2xA1 VAL 126 HA 0.09 0.25 1.18 -0.75 4.13 4.89 3h2xA1 VAL 126 HB -0.02 -0.03 0.15 -0.04 2.12 2.18 3h2xA1 VAL 126 HG13 -0.02 -0.03 -0.19 -0.04 0.97 0.68 3h2xA1 VAL 126 HG23 -0.11 0.00 -0.15 -0.04 0.95 0.66 3h2xA1 MET 127 H -0.04 0.85 0.36 -0.55 8.47 9.10 3h2xA1 MET 127 HA -0.65 0.24 0.91 -0.75 4.52 4.27 3h2xA1 MET 127 HB2 -0.28 0.01 -0.01 -0.04 2.15 1.83 3h2xA1 MET 127 HB3 -0.50 -0.05 0.25 -0.04 2.03 1.68 3h2xA1 MET 127 HG2 -0.31 0.00 -0.03 -0.04 2.63 2.25 3h2xA1 MET 127 HG3 -0.55 0.01 -0.02 -0.04 2.56 1.96 3h2xA1 MET 127 HE3 0.10 -0.05 -0.21 -0.04 2.10 1.90 3h2xA1 ALA 128 H -0.28 0.72 0.34 -0.55 8.40 8.64 3h2xA1 ALA 128 HA 0.08 0.10 0.61 -0.75 4.34 4.38 3h2xA1 ALA 128 HB3 -0.30 -0.04 0.03 -0.04 1.41 1.06 3h2xA1 CYS 129 H -0.00 0.27 -0.41 -0.55 8.50 7.81 3h2xA1 CYS 129 HA 0.13 0.08 0.53 -0.75 4.58 4.56 3h2xA1 CYS 129 HB2 -0.00 0.04 0.06 -0.04 2.97 3.03 3h2xA1 CYS 129 HB3 -0.14 0.02 -0.14 -0.04 2.97 2.66 3h2xA1 MET 130 H 0.11 0.05 0.10 -0.55 8.47 8.18 3h2xA1 MET 130 HA 0.15 0.10 0.49 -0.75 4.52 4.50 3h2xA1 MET 130 HB2 0.10 0.03 0.01 -0.04 2.15 2.25 3h2xA1 MET 130 HB3 0.10 -0.04 0.07 -0.04 2.03 2.12 3h2xA1 MET 130 HG2 -0.09 0.02 0.04 -0.04 2.63 2.56 3h2xA1 MET 130 HG3 0.04 -0.07 0.09 -0.04 2.56 2.59 3h2xA1 MET 130 HE3 0.06 -0.03 0.03 -0.04 2.10 2.12 3h2xA1 GLU 131 H 0.29 0.14 0.10 -0.55 8.60 8.58 3h2xA1 GLU 131 HA 0.16 0.06 0.32 -0.75 4.29 4.08 3h2xA1 GLU 131 HB2 0.58 0.03 0.07 -0.04 2.09 2.73 3h2xA1 GLU 131 HB3 0.31 -0.04 0.10 -0.04 1.99 2.31 3h2xA1 GLU 131 HG2 -0.55 -0.06 -0.21 -0.04 2.34 1.48 3h2xA1 GLU 131 HG3 -0.01 0.16 0.02 -0.04 2.34 2.47 3h2xA1 TYR 132 H 0.27 0.11 -0.14 -0.55 8.29 7.98 3h2xA1 TYR 132 HA 0.06 0.30 0.96 -0.75 4.56 5.12 3h2xA1 TYR 132 HB2 0.06 -0.04 0.09 -0.04 3.06 3.13 3h2xA1 TYR 132 HB3 0.04 -0.01 -0.09 -0.04 2.98 2.87 3h2xA1 TYR 132 HD2 0.06 -0.02 -0.13 -0.04 7.15 7.02 3h2xA1 TYR 132 HE2 0.03 0.01 -0.05 -0.04 6.85 6.80 3h2xA1 GLU 133 H 0.10 0.79 0.20 -0.55 8.60 9.15 3h2xA1 GLU 133 HA 0.09 0.08 0.80 -0.75 4.29 4.51 3h2xA1 GLU 133 HB2 0.08 0.06 -0.28 -0.04 2.09 1.91 3h2xA1 GLU 133 HB3 0.04 0.02 -0.01 -0.04 1.99 2.00 3h2xA1 GLU 133 HG2 0.04 0.02 -0.17 -0.04 2.34 2.19 3h2xA1 GLU 133 HG3 0.07 -0.01 0.08 -0.04 2.34 2.44 3h2xA1 MET 134 H 0.06 0.18 0.12 -0.55 8.47 8.28 3h2xA1 MET 134 HA 0.04 0.04 0.34 -0.75 4.52 4.18 3h2xA1 MET 134 HB2 0.02 0.11 -0.10 -0.04 2.15 2.14 3h2xA1 MET 134 HB3 0.02 0.02 0.20 -0.04 2.03 2.23 3h2xA1 MET 134 HG2 0.02 0.02 0.06 -0.04 2.63 2.69 3h2xA1 MET 134 HG3 0.04 -0.05 -0.05 -0.04 2.56 2.46 3h2xA1 MET 134 HE3 0.01 0.01 -0.05 -0.04 2.10 2.03 3h2xA1 GLY 135 H 0.07 0.04 -0.27 -0.55 8.43 7.73 3h2xA1 GLY 135 HA2 0.06 -0.01 0.23 -0.51 4.01 3.78 3h2xA1 GLY 135 HA3 0.05 0.12 0.45 -0.51 4.01 4.12 3h2xA1 LYS 136 H 0.07 0.44 -0.39 -0.55 8.42 7.99 3h2xA1 LYS 136 HA 0.07 0.19 0.97 -0.75 4.32 4.80 3h2xA1 LYS 136 HB2 0.03 0.02 -0.05 -0.04 1.87 1.83 3h2xA1 LYS 136 HB3 0.04 0.03 -0.03 -0.04 1.79 1.79 3h2xA1 LYS 136 HG2 0.04 0.04 -0.33 -0.04 1.46 1.16 3h2xA1 LYS 136 HG3 0.03 -0.04 -0.06 -0.04 1.46 1.35 3h2xA1 LYS 136 HD2 0.04 0.06 -0.02 -0.04 1.69 1.73 3h2xA1 LYS 136 HD3 0.04 -0.01 -0.07 -0.04 1.68 1.59 3h2xA1 LYS 136 HE2 0.05 0.03 -0.01 -0.04 2.99 3.02 3h2xA1 LYS 136 HE3 0.04 -0.00 0.00 -0.04 2.99 2.99 3h2xA1 LYS 137 H 0.03 0.19 0.13 -0.55 8.42 8.21 3h2xA1 LYS 137 HA -0.31 0.15 0.84 -0.75 4.32 4.24 3h2xA1 LYS 137 HB2 -0.03 -0.03 0.07 -0.04 1.87 1.83 3h2xA1 LYS 137 HB3 -0.07 -0.00 0.14 -0.04 1.79 1.82 3h2xA1 LYS 137 HG2 -0.26 0.07 -0.17 -0.04 1.46 1.05 3h2xA1 LYS 137 HG3 -0.94 -0.02 -0.01 -0.04 1.46 0.45 3h2xA1 LYS 137 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 3h2xA1 LYS 137 HD3 -0.08 -0.02 -0.07 -0.04 1.68 1.47 3h2xA1 LYS 137 HE2 -0.16 0.15 -0.09 -0.04 2.99 2.85 3h2xA1 LYS 137 HE3 -0.19 -0.03 -0.02 -0.04 2.99 2.71 3h2xA1 LYS 138 H -0.11 0.89 0.37 -0.55 8.42 9.01 3h2xA1 LYS 138 HA -0.00 -0.00 0.48 -0.75 4.32 4.04 3h2xA1 LYS 138 HB2 0.02 0.04 -0.01 -0.04 1.87 1.89 3h2xA1 LYS 138 HB3 0.01 -0.20 -0.14 -0.04 1.79 1.42 3h2xA1 LYS 138 HG2 0.01 0.24 -0.07 -0.04 1.46 1.60 3h2xA1 LYS 138 HG3 0.01 -0.07 -0.11 -0.04 1.46 1.25 3h2xA1 LYS 138 HD2 0.00 -0.05 -0.41 -0.04 1.69 1.19 3h2xA1 LYS 138 HD3 0.01 0.03 -0.07 -0.04 1.68 1.62 3h2xA1 LYS 138 HE2 -0.04 -0.07 -0.06 -0.04 2.99 2.78 3h2xA1 LYS 138 HE3 -0.00 -0.07 -0.04 -0.04 2.99 2.83 3h2xA1 CYS 139 H -0.06 0.24 0.10 -0.55 8.50 8.24 3h2xA1 CYS 139 HA -0.06 0.14 0.34 -0.75 4.58 4.24 3h2xA1 CYS 139 HB2 -0.05 0.04 0.03 -0.04 2.97 2.95 3h2xA1 CYS 139 HB3 0.04 0.17 -0.10 -0.04 2.97 3.03 3h2xA1 GLU 140 H -0.08 0.67 0.12 -0.55 8.60 8.76 3h2xA1 GLU 140 HA -0.12 0.05 0.59 -0.75 4.29 4.06 3h2xA1 GLU 140 HB2 -0.10 0.08 -0.28 -0.04 2.09 1.75 3h2xA1 GLU 140 HB3 -0.07 0.03 -0.11 -0.04 1.99 1.80 3h2xA1 GLU 140 HG2 -0.08 0.10 0.03 -0.04 2.34 2.35 3h2xA1 GLU 140 HG3 -0.05 -0.15 -0.23 -0.04 2.34 1.86 3h2xA1 ARG 141 H -0.23 0.11 0.11 -0.55 8.46 7.90 3h2xA1 ARG 141 HA -1.39 0.01 0.49 -0.75 4.34 2.69 3h2xA1 ARG 141 HB2 -0.52 -0.02 0.11 -0.04 1.90 1.43 3h2xA1 ARG 141 HB3 -0.34 0.00 0.18 -0.04 1.80 1.60 3h2xA1 ARG 141 HG2 -0.73 0.20 -0.10 -0.04 1.67 1.00 3h2xA1 ARG 141 HG3 -2.08 -0.10 -0.01 -0.04 1.67 -0.56 3h2xA1 ARG 141 HD2 -0.25 -0.02 0.02 -0.04 3.22 2.92 3h2xA1 ARG 141 HD3 -0.35 0.04 0.00 -0.04 3.22 2.87 3h2xA1 TYR 142 H -0.87 0.14 0.17 -0.55 8.29 7.17 3h2xA1 TYR 142 HA 0.05 0.18 0.76 -0.75 4.56 4.80 3h2xA1 TYR 142 HB2 -0.19 0.00 0.06 -0.04 3.06 2.90 3h2xA1 TYR 142 HB3 -0.45 0.01 -0.09 -0.04 2.98 2.41 3h2xA1 TYR 142 HD2 -0.02 0.07 -0.18 -0.04 7.15 6.98 3h2xA1 TYR 142 HE2 0.05 -0.00 -0.13 -0.04 6.85 6.73 3h2xA1 TRP 143 H -0.86 0.01 -0.04 -0.55 7.97 6.53 3h2xA1 TRP 143 HA 0.35 0.21 0.72 -0.75 4.62 5.15 3h2xA1 TRP 143 HB2 0.11 0.05 0.03 -0.04 3.23 3.38 3h2xA1 TRP 143 HB3 -0.07 0.01 -0.14 -0.04 3.23 2.99 3h2xA1 TRP 143 HD1 0.05 0.15 -0.48 -0.04 7.22 6.91 3h2xA1 TRP 143 HE1 0.06 -0.01 -0.17 -0.04 10.20 10.03 3h2xA1 TRP 143 HE3 -1.98 0.03 -0.07 -0.04 7.59 5.53 3h2xA1 TRP 143 HZ2 0.09 -0.04 -0.04 -0.04 7.44 7.41 3h2xA1 TRP 143 HZ3 -0.54 0.14 -0.06 -0.04 7.13 6.62 3h2xA1 TRP 143 HH2 -0.08 0.00 -0.09 -0.04 7.19 6.97 3h2xA1 ALA 144 H 0.38 0.23 0.02 -0.55 8.40 8.48 3h2xA1 ALA 144 HA 0.03 0.15 0.74 -0.75 4.34 4.50 3h2xA1 ALA 144 HB3 0.08 0.01 -0.11 -0.04 1.41 1.35 3h2xA1 GLU 145 H 0.12 0.13 0.09 -0.55 8.60 8.40 3h2xA1 GLU 145 HA 0.19 0.16 0.73 -0.75 4.29 4.61 3h2xA1 GLU 145 HB2 0.10 0.01 0.02 -0.04 2.09 2.18 3h2xA1 GLU 145 HB3 0.11 0.08 0.09 -0.04 1.99 2.23 3h2xA1 GLU 145 HG2 0.21 -0.07 -0.09 -0.04 2.34 2.35 3h2xA1 GLU 145 HG3 0.15 0.01 -0.03 -0.04 2.34 2.43 3h2xA1 PRO 146 HA 0.06 0.24 0.50 -0.51 4.44 4.74 3h2xA1 PRO 146 HB2 0.05 -0.02 0.01 -0.04 2.28 2.28 3h2xA1 PRO 146 HB3 0.05 0.13 0.04 -0.04 2.02 2.20 3h2xA1 PRO 146 HG2 0.05 0.00 -0.05 -0.04 2.03 1.99 3h2xA1 PRO 146 HG3 0.07 0.06 -0.26 -0.04 2.03 1.86 3h2xA1 PRO 146 HD2 0.07 0.08 0.14 -0.04 3.68 3.93 3h2xA1 PRO 146 HD3 0.10 0.11 0.12 -0.04 3.65 3.94 3h2xA1 GLY 147 H 0.04 0.19 0.20 -0.55 8.43 8.31 3h2xA1 GLY 147 HA2 0.02 -0.01 0.37 -0.51 4.01 3.89 3h2xA1 GLY 147 HA3 0.03 0.05 0.40 -0.51 4.01 3.98 3h2xA1 GLU 148 H 0.04 0.35 -0.61 -0.55 8.60 7.83 3h2xA1 GLU 148 HA 0.02 0.06 0.60 -0.75 4.29 4.21 3h2xA1 GLU 148 HB2 0.05 0.09 0.06 -0.04 2.09 2.24 3h2xA1 GLU 148 HB3 0.02 0.06 0.06 -0.04 1.99 2.08 3h2xA1 GLU 148 HG2 0.03 -0.00 0.01 -0.04 2.34 2.33 3h2xA1 GLU 148 HG3 0.05 0.10 -0.11 -0.04 2.34 2.34 3h2xA1 MET 149 H -0.00 0.05 0.14 -0.55 8.47 8.11 3h2xA1 MET 149 HA -0.01 0.02 0.44 -0.75 4.52 4.22 3h2xA1 MET 149 HB2 -0.01 -0.04 0.14 -0.04 2.15 2.20 3h2xA1 MET 149 HB3 -0.03 -0.01 0.07 -0.04 2.03 2.03 3h2xA1 MET 149 HG2 -0.04 0.23 -0.02 -0.04 2.63 2.75 3h2xA1 MET 149 HG3 -0.02 -0.05 0.07 -0.04 2.56 2.52 3h2xA1 MET 149 HE3 -0.02 -0.01 0.03 -0.04 2.10 2.06 3h2xA1 GLN 150 H -0.02 0.03 0.15 -0.55 8.47 8.08 3h2xA1 GLN 150 HA -0.01 0.14 0.48 -0.75 4.36 4.21 3h2xA1 GLN 150 HB2 -0.03 0.06 -0.08 -0.04 2.15 2.06 3h2xA1 GLN 150 HB3 -0.02 -0.05 0.07 -0.04 2.02 1.98 3h2xA1 GLN 150 HG2 -0.07 0.04 -0.39 -0.04 2.40 1.94 3h2xA1 GLN 150 HG3 -0.04 -0.00 -0.10 -0.04 2.39 2.20 3h2xA1 GLN 150 HE21 -0.03 -0.02 0.04 -0.04 6.97 6.92 3h2xA1 GLN 150 HE22 -0.02 0.04 0.03 -0.04 7.69 7.69 3h2xA1 LEU 151 H -0.06 0.63 0.35 -0.55 8.37 8.74 3h2xA1 LEU 151 HA -0.21 0.13 0.78 -0.75 4.35 4.30 3h2xA1 LEU 151 HB2 -0.09 -0.04 -0.02 -0.04 1.64 1.44 3h2xA1 LEU 151 HB3 -0.54 -0.01 -0.07 -0.04 1.64 0.98 3h2xA1 LEU 151 HG -0.01 -0.00 -0.16 -0.04 1.64 1.42 3h2xA1 LEU 151 HD13 0.10 0.01 -0.29 -0.04 0.93 0.71 3h2xA1 LEU 151 HD23 -0.09 0.01 -0.12 -0.04 0.89 0.64 3h2xA1 GLU 152 H -0.44 0.18 0.13 -0.55 8.60 7.92 3h2xA1 GLU 152 HA -0.26 0.44 1.16 -0.75 4.29 4.88 3h2xA1 GLU 152 HB2 -0.16 -0.08 0.09 -0.04 2.09 1.90 3h2xA1 GLU 152 HB3 -0.11 0.10 -0.06 -0.04 1.99 1.88 3h2xA1 GLU 152 HG2 -0.10 0.08 -0.15 -0.04 2.34 2.13 3h2xA1 GLU 152 HG3 -0.14 -0.07 -0.58 -0.04 2.34 1.52 3h2xA1 PHE 153 H 0.03 0.73 0.10 -0.55 8.34 8.65 3h2xA1 PHE 153 HA 0.10 0.09 0.82 -0.75 4.62 4.87 3h2xA1 PHE 153 HB2 0.24 0.01 0.07 -0.04 3.15 3.42 3h2xA1 PHE 153 HB3 0.21 -0.12 -0.10 -0.04 3.06 3.00 3h2xA1 PHE 153 HD2 -0.00 -0.01 -0.14 -0.04 7.28 7.09 3h2xA1 PHE 153 HE2 0.12 0.06 -0.12 -0.04 7.38 7.39 3h2xA1 PHE 153 HZ 0.14 0.05 -0.13 -0.04 7.32 7.33 3h2xA1 GLY 154 H 0.13 0.13 0.03 -0.55 8.43 8.18 3h2xA1 GLY 154 HA2 0.07 0.01 0.29 -0.51 4.01 3.88 3h2xA1 GLY 154 HA3 0.16 0.04 0.43 -0.51 4.01 4.13 3h2xA1 PRO 155 HA -0.12 0.10 0.46 -0.51 4.44 4.37 3h2xA1 PRO 155 HB2 -0.32 0.03 0.05 -0.04 2.28 2.00 3h2xA1 PRO 155 HB3 -0.15 -0.01 0.07 -0.04 2.02 1.88 3h2xA1 PRO 155 HG2 -0.65 0.08 -0.04 -0.04 2.03 1.37 3h2xA1 PRO 155 HG3 0.02 0.02 0.02 -0.04 2.03 2.06 3h2xA1 PRO 155 HD2 0.11 0.10 0.23 -0.04 3.68 4.08 3h2xA1 PRO 155 HD3 0.01 0.04 0.12 -0.04 3.65 3.78 3h2xA1 PHE 156 H 0.16 0.50 -0.32 -0.55 8.34 8.13 3h2xA1 PHE 156 HA -0.05 0.39 0.96 -0.75 4.62 5.16 3h2xA1 PHE 156 HB2 0.06 -0.01 0.08 -0.04 3.15 3.24 3h2xA1 PHE 156 HB3 -0.23 -0.01 -0.07 -0.04 3.06 2.70 3h2xA1 PHE 156 HD2 -0.09 0.09 -0.07 -0.04 7.28 7.16 3h2xA1 PHE 156 HE2 -0.65 -0.02 -0.11 -0.04 7.38 6.56 3h2xA1 PHE 156 HZ -0.65 -0.00 -0.11 -0.04 7.32 6.51 3h2xA1 SER 157 H 0.01 0.47 0.35 -0.55 8.46 8.73 3h2xA1 SER 157 HA -0.09 0.36 1.02 -0.75 4.49 5.02 3h2xA1 SER 157 HB2 -0.04 -0.06 0.16 -0.04 3.95 3.98 3h2xA1 SER 157 HB3 -0.05 -0.04 -0.03 -0.04 3.93 3.77 3h2xA1 VAL 158 H -0.10 0.73 0.32 -0.55 8.24 8.64 3h2xA1 VAL 158 HA -0.09 0.36 1.24 -0.75 4.13 4.88 3h2xA1 VAL 158 HB 0.12 -0.06 0.02 -0.04 2.12 2.16 3h2xA1 VAL 158 HG13 0.20 0.01 -0.09 -0.04 0.97 1.05 3h2xA1 VAL 158 HG23 -0.69 0.01 -0.21 -0.04 0.95 0.02 3h2xA1 SER 159 H 0.04 0.59 0.41 -0.55 8.46 8.94 3h2xA1 SER 159 HA 0.06 0.14 0.69 -0.75 4.49 4.63 3h2xA1 SER 159 HB2 0.04 0.02 0.04 -0.04 3.95 4.01 3h2xA1 SER 159 HB3 0.02 0.01 -0.13 -0.04 3.93 3.78 3h2xA1 CYS 160 H 0.08 0.26 -0.02 -0.55 8.50 8.28 3h2xA1 CYS 160 HA 0.11 0.20 1.04 -0.75 4.58 5.17 3h2xA1 CYS 160 HB2 0.18 0.18 -0.20 -0.04 2.97 3.09 3h2xA1 CYS 160 HB3 0.12 -0.10 -0.46 -0.04 2.97 2.48 3h2xA1 GLU 161 H 0.07 0.59 0.30 -0.55 8.60 9.01 3h2xA1 GLU 161 HA 0.05 0.06 0.58 -0.75 4.29 4.23 3h2xA1 GLU 161 HB2 0.05 -0.01 0.05 -0.04 2.09 2.14 3h2xA1 GLU 161 HB3 0.06 0.03 0.16 -0.04 1.99 2.20 3h2xA1 GLU 161 HG2 0.05 -0.01 -0.25 -0.04 2.34 2.09 3h2xA1 GLU 161 HG3 0.04 -0.02 0.02 -0.04 2.34 2.34 3h2xA1 ALA 162 H 0.07 0.26 0.26 -0.55 8.40 8.44 3h2xA1 ALA 162 HA 0.05 0.20 0.74 -0.75 4.34 4.57 3h2xA1 ALA 162 HB3 0.07 0.01 -0.02 -0.04 1.41 1.43 3h2xA1 GLU 163 H 0.04 0.27 0.13 -0.55 8.60 8.50 3h2xA1 GLU 163 HA 0.04 0.31 0.92 -0.75 4.29 4.80 3h2xA1 GLU 163 HB2 0.05 0.05 -0.15 -0.04 2.09 2.00 3h2xA1 GLU 163 HB3 0.04 -0.02 0.07 -0.04 1.99 2.03 3h2xA1 GLU 163 HG2 0.01 -0.03 -0.35 -0.04 2.34 1.92 3h2xA1 GLU 163 HG3 0.01 0.02 -0.14 -0.04 2.34 2.18 3h2xA1 LYS 164 H 0.01 0.70 0.33 -0.55 8.42 8.91 3h2xA1 LYS 164 HA 0.01 0.15 0.94 -0.75 4.32 4.67 3h2xA1 LYS 164 HB2 0.04 0.01 0.04 -0.04 1.87 1.91 3h2xA1 LYS 164 HB3 0.01 -0.04 0.16 -0.04 1.79 1.89 3h2xA1 LYS 164 HG2 0.04 0.00 -0.06 -0.04 1.46 1.41 3h2xA1 LYS 164 HG3 0.00 0.01 -0.30 -0.04 1.46 1.12 3h2xA1 LYS 164 HD2 0.01 -0.05 0.15 -0.04 1.69 1.76 3h2xA1 LYS 164 HD3 0.03 -0.01 0.03 -0.04 1.68 1.68 3h2xA1 LYS 164 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 3h2xA1 LYS 164 HE3 -0.00 0.10 -0.02 -0.04 2.99 3.03 3h2xA1 ARG 165 H -0.01 0.21 0.19 -0.55 8.46 8.29 3h2xA1 ARG 165 HA -0.05 0.05 0.81 -0.75 4.34 4.40 3h2xA1 ARG 165 HB2 -0.02 -0.01 0.04 -0.04 1.90 1.87 3h2xA1 ARG 165 HB3 -0.03 -0.02 0.18 -0.04 1.80 1.90 3h2xA1 ARG 165 HG2 -0.06 0.11 -0.27 -0.04 1.67 1.40 3h2xA1 ARG 165 HG3 -0.06 -0.00 -0.02 -0.04 1.67 1.55 3h2xA1 ARG 165 HD2 -0.02 -0.03 -0.01 -0.04 3.22 3.12 3h2xA1 ARG 165 HD3 -0.03 -0.03 -0.02 -0.04 3.22 3.11 3h2xA1 LYS 166 H -0.16 0.44 0.31 -0.55 8.42 8.46 3h2xA1 LYS 166 HA -0.12 0.21 0.91 -0.75 4.32 4.56 3h2xA1 LYS 166 HB2 -0.66 0.18 0.09 -0.04 1.87 1.44 3h2xA1 LYS 166 HB3 -0.37 -0.22 0.18 -0.04 1.79 1.34 3h2xA1 LYS 166 HG2 -0.07 0.08 -0.17 -0.04 1.46 1.27 3h2xA1 LYS 166 HG3 -0.09 0.01 -0.31 -0.04 1.46 1.03 3h2xA1 LYS 166 HD2 0.02 -0.01 -0.10 -0.04 1.69 1.55 3h2xA1 LYS 166 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.56 3h2xA1 LYS 166 HE2 0.07 0.01 -0.08 -0.04 2.99 2.95 3h2xA1 LYS 166 HE3 0.13 -0.01 -0.11 -0.04 2.99 2.95 3h2xA1 SER 167 H -0.21 0.11 0.14 -0.55 8.46 7.96 3h2xA1 SER 167 HA -0.11 0.13 0.38 -0.75 4.49 4.15 3h2xA1 SER 167 HB2 -0.08 0.02 0.14 -0.04 3.95 3.99 3h2xA1 SER 167 HB3 -0.10 -0.07 0.13 -0.04 3.93 3.86 3h2xA1 ASP 168 H -0.30 0.03 0.00 -0.55 8.40 7.58 3h2xA1 ASP 168 HA -0.18 0.32 0.94 -0.75 4.63 4.95 3h2xA1 ASP 168 HB2 -0.00 -0.00 -0.02 -0.04 2.71 2.64 3h2xA1 ASP 168 HB3 -0.37 -0.03 0.06 -0.04 2.70 2.32 3h2xA1 TYR 169 H -0.48 0.17 -0.11 -0.55 8.29 7.31 3h2xA1 TYR 169 HA -0.16 0.09 0.67 -0.75 4.56 4.40 3h2xA1 TYR 169 HB2 0.10 0.11 -0.23 -0.04 3.06 3.00 3h2xA1 TYR 169 HB3 -0.15 -0.03 -0.22 -0.04 2.98 2.54 3h2xA1 TYR 169 HD2 0.12 0.07 -0.37 -0.04 7.15 6.92 3h2xA1 TYR 169 HE2 0.23 0.04 -0.16 -0.04 6.85 6.92 3h2xA1 ILE 170 H 0.13 0.50 0.29 -0.55 8.25 8.62 3h2xA1 ILE 170 HA -0.02 0.20 1.10 -0.75 4.18 4.70 3h2xA1 ILE 170 HB -0.02 0.05 0.01 -0.04 1.89 1.89 3h2xA1 ILE 170 HG12 -0.09 0.06 0.09 -0.04 1.49 1.52 3h2xA1 ILE 170 HG13 -0.01 -0.02 -0.23 -0.04 1.21 0.90 3h2xA1 ILE 170 HG23 -0.07 -0.02 -0.11 -0.04 0.93 0.69 3h2xA1 ILE 170 HD13 -0.08 -0.00 -0.09 -0.04 0.88 0.66 3h2xA1 ILE 171 H -0.01 0.67 0.33 -0.55 8.25 8.68 3h2xA1 ILE 171 HA -0.21 0.29 1.11 -0.75 4.18 4.62 3h2xA1 ILE 171 HB -0.09 -0.10 0.14 -0.04 1.89 1.80 3h2xA1 ILE 171 HG12 -0.50 0.03 -0.18 -0.04 1.49 0.80 3h2xA1 ILE 171 HG13 0.07 -0.06 -0.31 -0.04 1.21 0.87 3h2xA1 ILE 171 HG23 -0.54 0.02 -0.24 -0.04 0.93 0.12 3h2xA1 ILE 171 HD13 0.03 0.01 -0.11 -0.04 0.88 0.76 3h2xA1 ARG 172 H -0.07 0.71 0.33 -0.55 8.46 8.87 3h2xA1 ARG 172 HA 0.04 0.20 1.11 -0.75 4.34 4.93 3h2xA1 ARG 172 HB2 0.02 -0.03 0.19 -0.04 1.90 2.05 3h2xA1 ARG 172 HB3 0.09 0.05 0.01 -0.04 1.80 1.91 3h2xA1 ARG 172 HG2 0.02 -0.00 -0.05 -0.04 1.67 1.60 3h2xA1 ARG 172 HG3 -0.06 -0.02 -0.07 -0.04 1.67 1.48 3h2xA1 ARG 172 HD2 -0.08 -0.05 -0.05 -0.04 3.22 2.99 3h2xA1 ARG 172 HD3 0.16 0.16 -0.00 -0.04 3.22 3.49 3h2xA1 THR 173 H 0.08 0.60 0.27 -0.55 8.28 8.68 3h2xA1 THR 173 HA 0.01 0.20 0.83 -0.75 4.39 4.68 3h2xA1 THR 173 HB 0.09 -0.25 0.31 -0.04 4.32 4.42 3h2xA1 THR 173 HG23 0.01 0.03 -0.07 -0.04 1.22 1.15 3h2xA1 LEU 174 H 0.02 0.73 0.35 -0.55 8.37 8.93 3h2xA1 LEU 174 HA 0.11 0.15 0.98 -0.75 4.35 4.84 3h2xA1 LEU 174 HB2 0.25 0.01 0.11 -0.04 1.64 1.96 3h2xA1 LEU 174 HB3 0.25 0.03 0.08 -0.04 1.64 1.95 3h2xA1 LEU 174 HG 0.19 0.00 -0.08 -0.04 1.64 1.71 3h2xA1 LEU 174 HD13 0.51 -0.00 -0.07 -0.04 0.93 1.33 3h2xA1 LEU 174 HD23 0.28 -0.02 -0.08 -0.04 0.89 1.02 3h2xA1 LYS 175 H 0.08 0.62 0.38 -0.55 8.42 8.95 3h2xA1 LYS 175 HA 0.05 0.36 1.04 -0.75 4.32 5.02 3h2xA1 LYS 175 HB2 0.04 -0.08 0.10 -0.04 1.87 1.89 3h2xA1 LYS 175 HB3 0.05 0.04 0.00 -0.04 1.79 1.84 3h2xA1 LYS 175 HG2 0.05 -0.09 -0.14 -0.04 1.46 1.23 3h2xA1 LYS 175 HG3 0.04 -0.01 -0.09 -0.04 1.46 1.36 3h2xA1 LYS 175 HD2 0.01 0.27 -0.34 -0.04 1.69 1.59 3h2xA1 LYS 175 HD3 0.03 -0.07 -0.20 -0.04 1.68 1.40 3h2xA1 LYS 175 HE2 0.02 -0.02 -0.10 -0.04 2.99 2.85 3h2xA1 LYS 175 HE3 0.04 -0.04 -0.09 -0.04 2.99 2.85 3h2xA1 VAL 176 H 0.12 0.62 0.27 -0.55 8.24 8.70 3h2xA1 VAL 176 HA -0.04 0.38 1.19 -0.75 4.13 4.90 3h2xA1 VAL 176 HB -0.31 -0.03 -0.09 -0.04 2.12 1.65 3h2xA1 VAL 176 HG13 0.36 0.00 -0.05 -0.04 0.97 1.24 3h2xA1 VAL 176 HG23 0.01 -0.00 -0.22 -0.04 0.95 0.70 3h2xA1 LYS 177 H 0.03 0.58 0.36 -0.55 8.42 8.84 3h2xA1 LYS 177 HA 0.18 0.35 1.15 -0.75 4.32 5.25 3h2xA1 LYS 177 HB2 0.04 -0.06 -0.06 -0.04 1.87 1.76 3h2xA1 LYS 177 HB3 -0.01 -0.02 0.14 -0.04 1.79 1.86 3h2xA1 LYS 177 HG2 -0.04 0.03 -0.22 -0.04 1.46 1.19 3h2xA1 LYS 177 HG3 0.05 0.06 -0.36 -0.04 1.46 1.18 3h2xA1 LYS 177 HD2 0.01 -0.03 -0.13 -0.04 1.69 1.51 3h2xA1 LYS 177 HD3 -0.02 -0.01 -0.08 -0.04 1.68 1.52 3h2xA1 LYS 177 HE2 -0.04 -0.05 -0.09 -0.04 2.99 2.77 3h2xA1 LYS 177 HE3 0.00 0.09 -0.22 -0.04 2.99 2.82 3h2xA1 PHE 178 H -0.02 0.57 0.18 -0.55 8.34 8.51 3h2xA1 PHE 178 HA -0.61 0.34 0.93 -0.75 4.62 4.52 3h2xA1 PHE 178 HB2 -1.89 0.03 -0.09 -0.04 3.15 1.16 3h2xA1 PHE 178 HB3 -1.30 -0.07 0.16 -0.04 3.06 1.81 3h2xA1 PHE 178 HD2 -0.97 0.06 -0.07 -0.04 7.28 6.26 3h2xA1 PHE 178 HE2 -0.47 -0.02 -0.04 -0.04 7.38 6.81 3h2xA1 PHE 178 HZ -0.26 0.06 -0.05 -0.04 7.32 7.02 3h2xA1 ASN 179 H -0.57 0.17 0.10 -0.55 8.53 7.69 3h2xA1 ASN 179 HA -0.51 0.24 0.81 -0.75 4.76 4.55 3h2xA1 ASN 179 HB2 -0.35 0.03 0.14 -0.04 2.88 2.66 3h2xA1 ASN 179 HB3 -0.97 0.03 0.10 -0.04 2.79 1.91 3h2xA1 ASN 179 HD21 0.04 0.02 0.06 -0.04 7.03 7.11 3h2xA1 ASN 179 HD22 -0.12 0.02 0.07 -0.04 7.74 7.66 3h2xA1 SER 180 H -0.17 0.46 -0.12 -0.55 8.46 8.08 3h2xA1 SER 180 HA -0.05 0.03 0.27 -0.75 4.49 3.98 3h2xA1 SER 180 HB2 -0.03 0.24 0.27 -0.04 3.95 4.39 3h2xA1 SER 180 HB3 -0.03 -0.04 0.13 -0.04 3.93 3.95 3h2xA1 GLU 181 H 0.02 -0.10 -0.98 -0.55 8.60 6.99 3h2xA1 GLU 181 HA 0.14 0.19 0.75 -0.75 4.29 4.62 3h2xA1 GLU 181 HB2 0.22 0.09 -0.04 -0.04 2.09 2.32 3h2xA1 GLU 181 HB3 0.53 -0.13 -0.02 -0.04 1.99 2.33 3h2xA1 GLU 181 HG2 0.36 0.05 -0.19 -0.04 2.34 2.52 3h2xA1 GLU 181 HG3 0.19 0.02 0.03 -0.04 2.34 2.53 3h2xA1 THR 182 H 0.17 0.23 0.16 -0.55 8.28 8.30 3h2xA1 THR 182 HA 0.29 0.34 1.10 -0.75 4.39 5.37 3h2xA1 THR 182 HB 0.09 -0.03 0.05 -0.04 4.32 4.40 3h2xA1 THR 182 HG23 0.09 -0.01 -0.24 -0.04 1.22 1.02 3h2xA1 ARG 183 H 0.28 0.66 0.35 -0.55 8.46 9.19 3h2xA1 ARG 183 HA 0.02 0.18 0.96 -0.75 4.34 4.74 3h2xA1 ARG 183 HB2 -0.00 -0.01 0.02 -0.04 1.90 1.87 3h2xA1 ARG 183 HB3 -0.10 0.11 0.02 -0.04 1.80 1.78 3h2xA1 ARG 183 HG2 -0.22 0.03 -0.03 -0.04 1.67 1.41 3h2xA1 ARG 183 HG3 -0.31 -0.11 -0.29 -0.04 1.67 0.93 3h2xA1 ARG 183 HD2 -1.48 -0.03 -0.07 -0.04 3.22 1.60 3h2xA1 ARG 183 HD3 -0.52 0.11 -0.04 -0.04 3.22 2.72 3h2xA1 THR 184 H -0.02 0.23 0.20 -0.55 8.28 8.13 3h2xA1 THR 184 HA -0.04 0.34 1.10 -0.75 4.39 5.04 3h2xA1 THR 184 HB -0.08 -0.01 0.14 -0.04 4.32 4.33 3h2xA1 THR 184 HG23 -0.38 0.00 -0.11 -0.04 1.22 0.68 3h2xA1 ILE 185 H -0.05 0.53 0.28 -0.55 8.25 8.46 3h2xA1 ILE 185 HA -0.03 0.34 0.99 -0.75 4.18 4.73 3h2xA1 ILE 185 HB 0.26 -0.11 -0.01 -0.04 1.89 1.98 3h2xA1 ILE 185 HG12 0.32 -0.07 -0.21 -0.04 1.49 1.49 3h2xA1 ILE 185 HG13 0.10 0.26 -0.11 -0.04 1.21 1.43 3h2xA1 ILE 185 HG23 0.19 -0.02 -0.38 -0.04 0.93 0.69 3h2xA1 ILE 185 HD13 0.13 -0.04 -0.56 -0.04 0.88 0.37 3h2xA1 TYR 186 H 0.12 0.76 0.34 -0.55 8.29 8.96 3h2xA1 TYR 186 HA 0.02 0.23 1.08 -0.75 4.56 5.13 3h2xA1 TYR 186 HB2 0.05 0.02 0.21 -0.04 3.06 3.29 3h2xA1 TYR 186 HB3 -0.26 -0.05 -0.01 -0.04 2.98 2.62 3h2xA1 TYR 186 HD2 0.10 0.03 -0.06 -0.04 7.15 7.18 3h2xA1 TYR 186 HE2 0.16 -0.01 -0.06 -0.04 6.85 6.90 3h2xA1 GLN 187 H 0.07 0.64 0.35 -0.55 8.47 8.99 3h2xA1 GLN 187 HA 0.18 0.26 1.04 -0.75 4.36 5.09 3h2xA1 GLN 187 HB2 0.20 0.02 -0.01 -0.04 2.15 2.32 3h2xA1 GLN 187 HB3 0.05 -0.08 0.21 -0.04 2.02 2.15 3h2xA1 GLN 187 HG2 -0.03 0.07 -0.39 -0.04 2.40 2.01 3h2xA1 GLN 187 HG3 0.16 0.01 -0.12 -0.04 2.39 2.39 3h2xA1 GLN 187 HE21 -1.62 -0.06 -0.11 -0.04 6.97 5.14 3h2xA1 GLN 187 HE22 -0.49 0.03 -0.14 -0.04 7.69 7.05 3h2xA1 PHE 188 H 0.38 0.77 0.46 -0.55 8.34 9.39 3h2xA1 PHE 188 HA 0.05 0.16 0.88 -0.75 4.62 4.95 3h2xA1 PHE 188 HB2 -0.06 -0.01 0.24 -0.04 3.15 3.28 3h2xA1 PHE 188 HB3 -0.13 -0.06 0.01 -0.04 3.06 2.84 3h2xA1 PHE 188 HD2 -0.18 0.05 -0.04 -0.04 7.28 7.07 3h2xA1 PHE 188 HE2 -0.24 0.01 -0.11 -0.04 7.38 7.01 3h2xA1 PHE 188 HZ -1.20 0.08 -0.15 -0.04 7.32 6.01 3h2xA1 HIS 189 H 0.18 0.69 0.30 -0.55 8.41 9.03 3h2xA1 HIS 189 HA -0.02 0.21 1.01 -0.75 4.63 5.07 3h2xA1 HIS 189 HB2 -0.23 0.02 -0.12 -0.04 3.26 2.89 3h2xA1 HIS 189 HB3 -0.11 -0.08 0.16 -0.04 3.20 3.12 3h2xA1 HIS 189 HD2 -0.05 0.15 -0.30 -0.04 6.97 6.72 3h2xA1 HIS 189 HE1 -0.43 -0.09 -0.01 -0.04 7.75 7.18 3h2xA1 TYR 190 H 0.33 0.65 0.21 -0.55 8.29 8.93 3h2xA1 TYR 190 HA 0.27 0.01 0.54 -0.75 4.56 4.63 3h2xA1 TYR 190 HB2 0.18 0.05 0.08 -0.04 3.06 3.32 3h2xA1 TYR 190 HB3 0.27 -0.05 0.00 -0.04 2.98 3.15 3h2xA1 TYR 190 HD2 0.29 -0.05 -0.17 -0.04 7.15 7.18 3h2xA1 TYR 190 HE2 0.12 0.06 -0.31 -0.04 6.85 6.68 3h2xA1 LYS 191 H -0.21 0.51 0.36 -0.55 8.42 8.52 3h2xA1 LYS 191 HA 0.05 0.10 0.94 -0.75 4.32 4.67 3h2xA1 LYS 191 HB2 -0.11 0.04 0.02 -0.04 1.87 1.78 3h2xA1 LYS 191 HB3 -0.07 -0.03 0.17 -0.04 1.79 1.82 3h2xA1 LYS 191 HG2 -0.27 -0.00 -0.32 -0.04 1.46 0.83 3h2xA1 LYS 191 HG3 -0.25 0.20 -0.31 -0.04 1.46 1.06 3h2xA1 LYS 191 HD2 -0.21 0.02 -0.05 -0.04 1.69 1.41 3h2xA1 LYS 191 HD3 -0.17 -0.02 -0.01 -0.04 1.68 1.44 3h2xA1 LYS 191 HE2 -0.82 -0.10 -0.03 -0.04 2.99 2.00 3h2xA1 LYS 191 HE3 -1.05 0.04 -0.07 -0.04 2.99 1.87 3h2xA1 ASN 192 H -0.06 0.09 -0.13 -0.55 8.53 7.88 3h2xA1 ASN 192 HA 0.05 0.13 0.50 -0.75 4.76 4.69 3h2xA1 ASN 192 HB2 -0.10 0.13 -0.13 -0.04 2.88 2.74 3h2xA1 ASN 192 HB3 -0.16 -0.05 0.13 -0.04 2.79 2.67 3h2xA1 ASN 192 HD21 -0.01 -0.03 0.02 -0.04 7.03 6.97 3h2xA1 ASN 192 HD22 -0.04 -0.03 0.05 -0.04 7.74 7.68 3h2xA1 TRP 193 H 0.44 0.10 -0.01 -0.55 7.97 7.94 3h2xA1 TRP 193 HA 0.29 0.09 0.51 -0.75 4.62 4.76 3h2xA1 TRP 193 HB2 0.21 0.02 0.11 -0.04 3.23 3.53 3h2xA1 TRP 193 HB3 0.09 -0.02 0.10 -0.04 3.23 3.36 3h2xA1 TRP 193 HD1 0.01 0.25 -0.12 -0.04 7.22 7.31 3h2xA1 TRP 193 HE1 -0.02 -0.10 -0.02 -0.04 10.20 10.02 3h2xA1 TRP 193 HE3 -0.15 0.01 0.00 -0.04 7.59 7.41 3h2xA1 TRP 193 HZ2 -0.07 -0.09 0.02 -0.04 7.44 7.26 3h2xA1 TRP 193 HZ3 -0.38 0.01 0.00 -0.04 7.13 6.72 3h2xA1 TRP 193 HH2 -0.15 0.00 0.02 -0.04 7.19 7.02 3h2xA1 PRO 194 HA 0.04 -0.00 0.33 -0.51 4.44 4.30 3h2xA1 PRO 194 HB2 -0.02 -0.05 -0.10 -0.04 2.28 2.06 3h2xA1 PRO 194 HB3 -0.06 0.03 0.05 -0.04 2.02 1.99 3h2xA1 PRO 194 HG2 -0.22 -0.06 -0.00 -0.04 2.03 1.71 3h2xA1 PRO 194 HG3 -0.29 0.02 0.09 -0.04 2.03 1.81 3h2xA1 PRO 194 HD2 -1.05 0.00 0.23 -0.04 3.68 2.82 3h2xA1 PRO 194 HD3 -0.24 0.22 0.26 -0.04 3.65 3.84 3h2xA1 ASP 195 H 0.05 0.09 0.07 -0.55 8.40 8.06 3h2xA1 ASP 195 HA 0.01 0.10 0.37 -0.75 4.63 4.36 3h2xA1 ASP 195 HB2 0.02 0.05 0.15 -0.04 2.71 2.89 3h2xA1 ASP 195 HB3 0.03 -0.20 0.20 -0.04 2.70 2.69 3h2xA1 HIS 196 H 0.08 0.16 -0.01 -0.55 8.41 8.09 3h2xA1 HIS 196 HA 0.05 0.21 0.90 -0.75 4.63 5.03 3h2xA1 HIS 196 HB2 0.03 0.00 0.15 -0.04 3.26 3.40 3h2xA1 HIS 196 HB3 0.02 -0.01 0.13 -0.04 3.20 3.30 3h2xA1 HIS 196 HD2 0.02 0.02 -0.01 -0.04 6.97 6.96 3h2xA1 HIS 196 HE1 0.03 -0.06 0.00 -0.04 7.75 7.67 3h2xA1 ASP 197 H 0.09 0.30 -0.37 -0.55 8.40 7.87 3h2xA1 ASP 197 HA 0.02 0.01 0.40 -0.75 4.63 4.32 3h2xA1 ASP 197 HB2 0.04 0.28 -0.10 -0.04 2.71 2.89 3h2xA1 ASP 197 HB3 0.01 -0.04 -0.11 -0.04 2.70 2.53 3h2xA1 VAL 198 H -0.02 0.16 0.09 -0.55 8.24 7.93 3h2xA1 VAL 198 HA -0.10 0.17 0.62 -0.75 4.13 4.07 3h2xA1 VAL 198 HB -0.08 0.02 0.03 -0.04 2.12 2.06 3h2xA1 VAL 198 HG13 -0.05 -0.00 0.03 -0.04 0.97 0.90 3h2xA1 VAL 198 HG23 -0.07 0.02 -0.25 -0.04 0.95 0.61 3h2xA1 PRO 199 HA -0.03 0.10 0.40 -0.51 4.44 4.40 3h2xA1 PRO 199 HB2 -0.02 0.01 0.05 -0.04 2.28 2.28 3h2xA1 PRO 199 HB3 -0.01 0.11 0.07 -0.04 2.02 2.15 3h2xA1 PRO 199 HG2 -0.00 0.09 0.08 -0.04 2.03 2.15 3h2xA1 PRO 199 HG3 -0.01 0.09 0.09 -0.04 2.03 2.16 3h2xA1 PRO 199 HD2 -0.02 0.05 0.09 -0.04 3.68 3.76 3h2xA1 PRO 199 HD3 -0.03 0.04 0.19 -0.04 3.65 3.81 3h2xA1 SER 200 H -0.03 0.08 -0.39 -0.55 8.46 7.57 3h2xA1 SER 200 HA -0.03 0.12 0.45 -0.75 4.49 4.27 3h2xA1 SER 200 HB2 -0.03 0.02 -0.05 -0.04 3.95 3.85 3h2xA1 SER 200 HB3 -0.02 0.05 0.06 -0.04 3.93 3.97 3h2xA1 SER 201 H -0.10 0.47 -0.38 -0.55 8.46 7.90 3h2xA1 SER 201 HA -0.10 0.22 0.97 -0.75 4.49 4.83 3h2xA1 SER 201 HB2 -0.45 -0.06 0.17 -0.04 3.95 3.57 3h2xA1 SER 201 HB3 -0.25 0.04 0.09 -0.04 3.93 3.77 3h2xA1 ILE 202 H -0.09 0.36 -0.09 -0.55 8.25 7.88 3h2xA1 ILE 202 HA -0.12 0.03 0.39 -0.75 4.18 3.73 3h2xA1 ILE 202 HB -0.06 0.04 0.15 -0.04 1.89 1.97 3h2xA1 ILE 202 HG12 -0.08 -0.03 -0.06 -0.04 1.49 1.28 3h2xA1 ILE 202 HG13 -0.08 0.17 0.02 -0.04 1.21 1.28 3h2xA1 ILE 202 HG23 -0.08 -0.00 -0.13 -0.04 0.93 0.67 3h2xA1 ILE 202 HD13 -0.04 0.02 -0.10 -0.04 0.88 0.72 3h2xA1 ASP 203 H -0.04 0.18 -0.07 -0.55 8.40 7.93 3h2xA1 ASP 203 HA -0.02 0.05 0.36 -0.75 4.63 4.27 3h2xA1 ASP 203 HB2 -0.01 0.07 0.07 -0.04 2.71 2.80 3h2xA1 ASP 203 HB3 -0.00 0.01 -0.05 -0.04 2.70 2.62 3h2xA1 PRO 204 HA 0.15 0.03 0.46 -0.51 4.44 4.57 3h2xA1 PRO 204 HB2 0.27 0.02 -0.02 -0.04 2.28 2.50 3h2xA1 PRO 204 HB3 0.09 0.02 0.07 -0.04 2.02 2.16 3h2xA1 PRO 204 HG2 -0.02 0.20 0.09 -0.04 2.03 2.26 3h2xA1 PRO 204 HG3 0.01 0.17 0.14 -0.04 2.03 2.31 3h2xA1 PRO 204 HD2 -0.03 -0.11 -0.47 -0.04 3.68 3.02 3h2xA1 PRO 204 HD3 0.00 0.15 0.04 -0.04 3.65 3.80 3h2xA1 ILE 205 H -0.04 0.55 -0.26 -0.55 8.25 7.95 3h2xA1 ILE 205 HA -0.05 -0.00 0.45 -0.75 4.18 3.82 3h2xA1 ILE 205 HB -0.16 0.18 0.15 -0.04 1.89 2.01 3h2xA1 ILE 205 HG12 -0.77 -0.08 0.00 -0.04 1.49 0.60 3h2xA1 ILE 205 HG13 -0.40 0.10 0.08 -0.04 1.21 0.95 3h2xA1 ILE 205 HG23 -0.11 -0.03 -0.10 -0.04 0.93 0.65 3h2xA1 ILE 205 HD13 -0.90 -0.03 -0.03 -0.04 0.88 -0.11 3h2xA1 LEU 206 H 0.04 0.52 -0.10 -0.55 8.37 8.28 3h2xA1 LEU 206 HA 0.25 0.03 0.46 -0.75 4.35 4.34 3h2xA1 LEU 206 HB2 0.03 0.08 0.11 -0.04 1.64 1.82 3h2xA1 LEU 206 HB3 0.00 -0.02 0.01 -0.04 1.64 1.60 3h2xA1 LEU 206 HG -0.08 0.22 0.03 -0.04 1.64 1.77 3h2xA1 LEU 206 HD13 -0.22 -0.01 -0.08 -0.04 0.93 0.57 3h2xA1 LEU 206 HD23 -0.24 -0.01 -0.05 -0.04 0.89 0.55 3h2xA1 GLU 207 H 0.18 0.49 -0.27 -0.55 8.60 8.46 3h2xA1 GLU 207 HA 0.29 0.03 0.38 -0.75 4.29 4.24 3h2xA1 GLU 207 HB2 0.16 0.06 0.10 -0.04 2.09 2.37 3h2xA1 GLU 207 HB3 0.31 0.20 0.18 -0.04 1.99 2.64 3h2xA1 GLU 207 HG2 0.21 -0.08 -0.02 -0.04 2.34 2.40 3h2xA1 GLU 207 HG3 0.39 -0.02 -0.17 -0.04 2.34 2.49 3h2xA1 LEU 208 H 0.26 0.46 -0.18 -0.55 8.37 8.36 3h2xA1 LEU 208 HA -0.14 -0.01 0.35 -0.75 4.35 3.79 3h2xA1 LEU 208 HB2 0.05 -0.03 0.05 -0.04 1.64 1.66 3h2xA1 LEU 208 HB3 0.03 0.19 0.16 -0.04 1.64 1.98 3h2xA1 LEU 208 HG -0.18 0.03 -0.37 -0.04 1.64 1.08 3h2xA1 LEU 208 HD13 -0.45 -0.02 -0.07 -0.04 0.93 0.35 3h2xA1 LEU 208 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.72 3h2xA1 ILE 209 H 0.16 0.48 -0.19 -0.55 8.25 8.16 3h2xA1 ILE 209 HA -0.05 0.01 0.38 -0.75 4.18 3.76 3h2xA1 ILE 209 HB 0.46 0.07 0.12 -0.04 1.89 2.51 3h2xA1 ILE 209 HG12 0.05 -0.03 0.00 -0.04 1.49 1.47 3h2xA1 ILE 209 HG13 0.08 0.11 0.08 -0.04 1.21 1.44 3h2xA1 ILE 209 HG23 0.18 -0.00 -0.11 -0.04 0.93 0.96 3h2xA1 ILE 209 HD13 0.15 -0.03 -0.07 -0.04 0.88 0.89 3h2xA1 TRP 210 H 0.43 0.64 -0.18 -0.55 7.97 8.32 3h2xA1 TRP 210 HA -0.47 0.03 0.36 -0.75 4.62 3.80 3h2xA1 TRP 210 HB2 0.11 -0.03 0.07 -0.04 3.23 3.34 3h2xA1 TRP 210 HB3 0.15 0.08 0.17 -0.04 3.23 3.59 3h2xA1 TRP 210 HD1 0.10 0.01 -0.21 -0.04 7.22 7.08 3h2xA1 TRP 210 HE1 0.04 -0.02 -0.09 -0.04 10.20 10.08 3h2xA1 TRP 210 HE3 -0.16 -0.01 -0.02 -0.04 7.59 7.36 3h2xA1 TRP 210 HZ2 0.00 -0.01 -0.04 -0.04 7.44 7.35 3h2xA1 TRP 210 HZ3 -0.00 0.01 -0.03 -0.04 7.13 7.06 3h2xA1 TRP 210 HH2 -0.00 0.00 -0.03 -0.04 7.19 7.12 3h2xA1 ASP 211 H 0.31 0.57 -0.21 -0.55 8.40 8.51 3h2xA1 ASP 211 HA 0.16 0.01 0.36 -0.75 4.63 4.40 3h2xA1 ASP 211 HB2 0.44 0.15 0.13 -0.04 2.71 3.39 3h2xA1 ASP 211 HB3 0.24 0.05 0.07 -0.04 2.70 3.03 3h2xA1 VAL 212 H -0.24 0.62 -0.06 -0.55 8.24 8.01 3h2xA1 VAL 212 HA -0.64 -0.02 0.40 -0.75 4.13 3.11 3h2xA1 VAL 212 HB -0.31 0.11 0.15 -0.04 2.12 2.02 3h2xA1 VAL 212 HG13 -0.27 -0.00 -0.14 -0.04 0.97 0.52 3h2xA1 VAL 212 HG23 -1.15 0.02 -0.01 -0.04 0.95 -0.23 3h2xA1 ARG 213 H -0.28 0.56 -0.22 -0.55 8.46 7.97 3h2xA1 ARG 213 HA -0.19 0.28 0.50 -0.75 4.34 4.18 3h2xA1 ARG 213 HB2 -0.52 0.07 0.10 -0.04 1.90 1.51 3h2xA1 ARG 213 HB3 -0.40 -0.05 0.08 -0.04 1.80 1.40 3h2xA1 ARG 213 HG2 -0.23 0.04 0.05 -0.04 1.67 1.49 3h2xA1 ARG 213 HG3 -0.34 -0.09 0.00 -0.04 1.67 1.20 3h2xA1 ARG 213 HD2 -0.15 0.04 0.12 -0.04 3.22 3.18 3h2xA1 ARG 213 HD3 -0.14 0.08 0.02 -0.04 3.22 3.15 3h2xA1 CYS 214 H -0.21 0.41 -0.59 -0.55 8.50 7.56 3h2xA1 CYS 214 HA -0.37 0.04 0.50 -0.75 4.58 4.00 3h2xA1 CYS 214 HB2 -0.07 0.23 0.13 -0.04 2.97 3.22 3h2xA1 CYS 214 HB3 -0.24 -0.10 0.03 -0.04 2.97 2.62 3h2xA1 TYR 215 H 0.17 0.37 -0.25 -0.55 8.29 8.03 3h2xA1 TYR 215 HA -0.10 0.07 0.64 -0.75 4.56 4.41 3h2xA1 TYR 215 HB2 -0.03 0.20 0.18 -0.04 3.06 3.36 3h2xA1 TYR 215 HB3 -0.01 -0.06 0.00 -0.04 2.98 2.86 3h2xA1 TYR 215 HD2 -0.28 0.16 0.04 -0.04 7.15 7.03 3h2xA1 TYR 215 HE2 -0.51 -0.04 -0.07 -0.04 6.85 6.18 3h2xA1 GLN 216 H -0.01 0.39 0.01 -0.55 8.47 8.32 3h2xA1 GLN 216 HA -0.02 0.07 0.83 -0.75 4.36 4.48 3h2xA1 GLN 216 HB2 0.04 -0.01 -0.12 -0.04 2.15 2.01 3h2xA1 GLN 216 HB3 -0.03 0.02 0.11 -0.04 2.02 2.08 3h2xA1 GLN 216 HG2 -0.04 0.11 -0.11 -0.04 2.40 2.31 3h2xA1 GLN 216 HG3 -0.02 -0.08 0.05 -0.04 2.39 2.29 3h2xA1 GLN 216 HE21 -0.04 0.40 0.04 -0.04 6.97 7.33 3h2xA1 GLN 216 HE22 -0.05 0.39 0.16 -0.04 7.69 8.14 3h2xA1 GLU 217 H -0.08 0.10 0.07 -0.55 8.60 8.14 3h2xA1 GLU 217 HA -0.13 0.24 0.72 -0.75 4.29 4.36 3h2xA1 GLU 217 HB2 -0.11 -0.03 0.06 -0.04 2.09 1.96 3h2xA1 GLU 217 HB3 -0.14 0.10 0.06 -0.04 1.99 1.97 3h2xA1 GLU 217 HG2 -0.10 0.06 0.04 -0.04 2.34 2.30 3h2xA1 GLU 217 HG3 -0.09 -0.11 0.06 -0.04 2.34 2.16 3h2xA1 ASP 218 H -0.06 0.02 -0.06 -0.55 8.40 7.76 3h2xA1 ASP 218 HA 0.08 0.26 0.91 -0.75 4.63 5.12 3h2xA1 ASP 218 HB2 -0.13 -0.17 0.18 -0.04 2.71 2.55 3h2xA1 ASP 218 HB3 -0.21 0.10 -0.08 -0.04 2.70 2.47 3h2xA1 ASP 219 H 0.05 0.13 0.07 -0.55 8.40 8.11 3h2xA1 ASP 219 HA -0.07 0.39 0.89 -0.75 4.63 5.09 3h2xA1 ASP 219 HB2 0.05 -0.03 -0.00 -0.04 2.71 2.69 3h2xA1 ASP 219 HB3 -0.07 0.06 0.05 -0.04 2.70 2.70 3h2xA1 SER 220 H -0.04 0.01 -0.24 -0.55 8.46 7.65 3h2xA1 SER 220 HA -0.03 0.02 0.31 -0.75 4.49 4.04 3h2xA1 SER 220 HB2 -0.03 0.06 0.01 -0.04 3.95 3.94 3h2xA1 SER 220 HB3 -0.05 -0.06 0.07 -0.04 3.93 3.85 3h2xA1 VAL 221 H -0.03 0.12 -0.24 -0.55 8.24 7.55 3h2xA1 VAL 221 HA 0.00 0.21 0.70 -0.75 4.13 4.30 3h2xA1 VAL 221 HB 0.00 0.24 0.03 -0.04 2.12 2.35 3h2xA1 VAL 221 HG13 -0.02 -0.03 -0.11 -0.04 0.97 0.77 3h2xA1 VAL 221 HG23 -0.00 -0.06 -0.07 -0.04 0.95 0.78 3h2xA1 PRO 222 HA -0.03 0.24 0.45 -0.51 4.44 4.59 3h2xA1 PRO 222 HB2 0.03 -0.10 -0.19 -0.04 2.28 1.97 3h2xA1 PRO 222 HB3 0.10 -0.02 -0.27 -0.04 2.02 1.79 3h2xA1 PRO 222 HG2 0.20 -0.04 0.01 -0.04 2.03 2.15 3h2xA1 PRO 222 HG3 0.09 0.11 0.03 -0.04 2.03 2.21 3h2xA1 PRO 222 HD2 0.07 0.17 0.09 -0.04 3.68 3.97 3h2xA1 PRO 222 HD3 0.07 0.13 0.21 -0.04 3.65 4.02 3h2xA1 ILE 223 H -0.03 0.59 0.35 -0.55 8.25 8.61 3h2xA1 ILE 223 HA 0.01 0.09 0.86 -0.75 4.18 4.39 3h2xA1 ILE 223 HB 0.10 0.01 0.24 -0.04 1.89 2.19 3h2xA1 ILE 223 HG12 -0.01 -0.07 0.05 -0.04 1.49 1.41 3h2xA1 ILE 223 HG13 -0.05 0.16 0.06 -0.04 1.21 1.34 3h2xA1 ILE 223 HG23 0.03 -0.04 -0.19 -0.04 0.93 0.70 3h2xA1 ILE 223 HD13 -0.02 -0.01 -0.01 -0.04 0.88 0.80 3h2xA1 CYS 224 H 0.00 0.62 0.32 -0.55 8.50 8.89 3h2xA1 CYS 224 HA -0.03 0.18 0.94 -0.75 4.58 4.92 3h2xA1 CYS 224 HB2 -0.15 0.04 -0.03 -0.04 2.97 2.79 3h2xA1 CYS 224 HB3 -0.07 -0.03 0.17 -0.04 2.97 3.00 3h2xA1 ILE 225 H 0.01 0.78 0.43 -0.55 8.25 8.93 3h2xA1 ILE 225 HA 0.01 0.27 1.16 -0.75 4.18 4.87 3h2xA1 ILE 225 HB -0.02 0.01 0.10 -0.04 1.89 1.94 3h2xA1 ILE 225 HG12 0.00 -0.02 -0.16 -0.04 1.49 1.28 3h2xA1 ILE 225 HG13 0.05 -0.01 -0.55 -0.04 1.21 0.67 3h2xA1 ILE 225 HG23 -0.06 -0.04 -0.03 -0.04 0.93 0.76 3h2xA1 ILE 225 HD13 0.02 -0.01 -0.12 -0.04 0.88 0.73 3h2xA1 HIS 226 H -0.17 0.66 0.43 -0.55 8.41 8.78 3h2xA1 HIS 226 HA -0.07 -0.03 0.53 -0.75 4.63 4.31 3h2xA1 HIS 226 HB2 -0.05 0.10 -0.13 -0.04 3.26 3.14 3h2xA1 HIS 226 HB3 -0.03 0.09 -0.43 -0.04 3.20 2.79 3h2xA1 HIS 226 HD2 0.02 0.02 -0.30 -0.04 6.97 6.67 3h2xA1 HIS 226 HE1 0.11 -0.02 -0.11 -0.04 7.75 7.69 3h2xA1 CYS 227 H 0.07 0.12 -0.15 -0.55 8.50 8.00 3h2xA1 CYS 227 HA -0.20 0.16 0.43 -0.75 4.58 4.22 3h2xA1 CYS 227 HB2 -0.23 0.05 -0.02 -0.04 2.97 2.74 3h2xA1 CYS 227 HB3 -0.15 -0.31 0.10 -0.04 2.97 2.57 3h2xA1 SER 228 H -0.02 -0.14 0.18 -0.55 8.46 7.93 3h2xA1 SER 228 HA 0.06 0.51 1.09 -0.75 4.49 5.40 3h2xA1 SER 228 HB2 0.02 -0.00 0.04 -0.04 3.95 3.98 3h2xA1 SER 228 HB3 0.06 -0.24 0.24 -0.04 3.93 3.95 3h2xA1 ALA 229 H 0.04 -0.04 0.24 -0.55 8.40 8.09 3h2xA1 ALA 229 HA 0.26 0.28 0.72 -0.75 4.34 4.85 3h2xA1 ALA 229 HB3 -0.12 -0.00 0.09 -0.04 1.41 1.33 3h2xA1 GLY 230 H -0.01 -0.26 -0.05 -0.55 8.43 7.57 3h2xA1 GLY 230 HA2 -0.02 -0.03 0.22 -0.51 4.01 3.67 3h2xA1 GLY 230 HA3 -0.03 0.30 0.08 -0.51 4.01 3.85 3h2xA1 CYS 231 H -0.07 -0.31 -0.07 -0.55 8.50 7.50 3h2xA1 CYS 231 HA -0.07 0.39 0.81 -0.75 4.58 4.96 3h2xA1 CYS 231 HB2 -0.09 -0.25 -0.04 -0.04 2.97 2.55 3h2xA1 CYS 231 HB3 -0.07 0.36 -0.29 -0.04 2.97 2.94 3h2xA1 GLY 232 H -0.10 0.07 0.14 -0.55 8.43 8.00 3h2xA1 GLY 232 HA2 -0.04 -0.07 0.55 -0.51 4.01 3.94 3h2xA1 GLY 232 HA3 -0.10 0.08 0.48 -0.51 4.01 3.95 3h2xA1 ARG 233 H -0.25 0.16 0.14 -0.55 8.46 7.96 3h2xA1 ARG 233 HA -0.17 0.09 0.44 -0.75 4.34 3.95 3h2xA1 ARG 233 HB2 -0.51 -0.05 0.04 -0.04 1.90 1.33 3h2xA1 ARG 233 HB3 -1.06 0.13 0.08 -0.04 1.80 0.91 3h2xA1 ARG 233 HG2 -1.12 0.02 0.08 -0.04 1.67 0.61 3h2xA1 ARG 233 HG3 -0.58 -0.14 0.13 -0.04 1.67 1.05 3h2xA1 ARG 233 HD2 -0.79 -0.00 0.04 -0.04 3.22 2.42 3h2xA1 ARG 233 HD3 -2.48 0.13 0.12 -0.04 3.22 0.95 3h2xA1 THR 234 H -0.15 -0.12 -0.57 -0.55 8.28 6.89 3h2xA1 THR 234 HA -0.10 0.12 0.20 -0.75 4.39 3.85 3h2xA1 THR 234 HB -0.08 -0.08 -0.54 -0.04 4.32 3.58 3h2xA1 THR 234 HG23 -0.06 0.07 -0.26 -0.04 1.22 0.93 3h2xA1 GLY 235 H -0.06 0.32 -0.43 -0.55 8.43 7.71 3h2xA1 GLY 235 HA2 -0.07 0.10 0.35 -0.51 4.01 3.88 3h2xA1 GLY 235 HA3 -0.03 0.08 0.28 -0.51 4.01 3.84 3h2xA1 VAL 236 H 0.00 0.30 -0.19 -0.55 8.24 7.81 3h2xA1 VAL 236 HA 0.05 0.03 0.37 -0.75 4.13 3.82 3h2xA1 VAL 236 HB 0.19 0.12 0.17 -0.04 2.12 2.56 3h2xA1 VAL 236 HG13 0.14 -0.01 -0.16 -0.04 0.97 0.91 3h2xA1 VAL 236 HG23 0.12 0.03 0.02 -0.04 0.95 1.08 3h2xA1 ILE 237 H 0.02 0.48 -0.20 -0.55 8.25 8.01 3h2xA1 ILE 237 HA 0.03 0.02 0.43 -0.75 4.18 3.92 3h2xA1 ILE 237 HB -0.03 0.11 0.08 -0.04 1.89 2.01 3h2xA1 ILE 237 HG12 0.07 -0.02 -0.02 -0.04 1.49 1.47 3h2xA1 ILE 237 HG13 0.14 0.03 0.04 -0.04 1.21 1.38 3h2xA1 ILE 237 HG23 -0.02 0.00 -0.12 -0.04 0.93 0.75 3h2xA1 ILE 237 HD13 0.04 -0.01 -0.08 -0.04 0.88 0.79 3h2xA1 CYS 238 H -0.11 0.49 -0.11 -0.55 8.50 8.22 3h2xA1 CYS 238 HA -0.51 0.04 0.34 -0.75 4.58 3.70 3h2xA1 CYS 238 HB2 -0.20 0.02 0.10 -0.04 2.97 2.84 3h2xA1 CYS 238 HB3 -0.53 0.03 -0.05 -0.04 2.97 2.38 3h2xA1 ALA 239 H -0.05 0.62 -0.18 -0.55 8.40 8.25 3h2xA1 ALA 239 HA 0.07 0.04 0.32 -0.75 4.34 4.02 3h2xA1 ALA 239 HB3 0.05 0.00 0.04 -0.04 1.41 1.45 3h2xA1 ILE 240 H 0.04 0.54 -0.17 -0.55 8.25 8.12 3h2xA1 ILE 240 HA 0.09 -0.00 0.43 -0.75 4.18 3.94 3h2xA1 ILE 240 HB 0.06 0.08 0.13 -0.04 1.89 2.13 3h2xA1 ILE 240 HG12 0.01 -0.06 0.03 -0.04 1.49 1.42 3h2xA1 ILE 240 HG13 0.03 0.19 0.12 -0.04 1.21 1.52 3h2xA1 ILE 240 HG23 0.06 -0.02 -0.16 -0.04 0.93 0.77 3h2xA1 ILE 240 HD13 -0.01 -0.04 -0.13 -0.04 0.88 0.66 3h2xA1 ASP 241 H 0.08 0.73 -0.06 -0.55 8.40 8.60 3h2xA1 ASP 241 HA 0.29 -0.00 0.39 -0.75 4.63 4.56 3h2xA1 ASP 241 HB2 0.12 -0.03 0.08 -0.04 2.71 2.84 3h2xA1 ASP 241 HB3 0.09 0.10 0.12 -0.04 2.70 2.96 3h2xA1 TYR 242 H 0.20 0.75 -0.12 -0.55 8.29 8.57 3h2xA1 TYR 242 HA 0.20 -0.04 0.37 -0.75 4.56 4.34 3h2xA1 TYR 242 HB2 0.08 0.08 0.08 -0.04 3.06 3.26 3h2xA1 TYR 242 HB3 0.08 0.07 0.12 -0.04 2.98 3.20 3h2xA1 TYR 242 HD2 0.18 -0.06 -0.07 -0.04 7.15 7.16 3h2xA1 TYR 242 HE2 0.11 0.01 -0.40 -0.04 6.85 6.52 3h2xA1 THR 243 H 0.22 0.55 -0.22 -0.55 8.28 8.28 3h2xA1 THR 243 HA -0.08 -0.01 0.38 -0.75 4.39 3.93 3h2xA1 THR 243 HB 0.11 0.13 0.15 -0.04 4.32 4.67 3h2xA1 THR 243 HG23 -0.06 -0.04 -0.08 -0.04 1.22 1.00 3h2xA1 TRP 244 H 0.24 0.59 -0.18 -0.55 7.97 8.07 3h2xA1 TRP 244 HA -0.07 -0.04 0.38 -0.75 4.62 4.14 3h2xA1 TRP 244 HB2 0.01 0.09 0.13 -0.04 3.23 3.42 3h2xA1 TRP 244 HB3 0.00 0.12 0.06 -0.04 3.23 3.38 3h2xA1 TRP 244 HD1 -0.03 -0.12 0.13 -0.04 7.22 7.17 3h2xA1 TRP 244 HE1 0.08 0.00 -0.03 -0.04 10.20 10.22 3h2xA1 TRP 244 HE3 0.06 -0.00 -0.07 -0.04 7.59 7.54 3h2xA1 TRP 244 HZ2 0.23 0.00 -0.04 -0.04 7.44 7.59 3h2xA1 TRP 244 HZ3 0.15 0.10 0.08 -0.04 7.13 7.41 3h2xA1 TRP 244 HH2 0.23 -0.01 -0.05 -0.04 7.19 7.33 3h2xA1 MET 245 H 0.09 0.59 -0.18 -0.55 8.47 8.42 3h2xA1 MET 245 HA -0.03 0.04 0.44 -0.75 4.52 4.21 3h2xA1 MET 245 HB2 -0.16 0.16 0.18 -0.04 2.15 2.30 3h2xA1 MET 245 HB3 -0.19 -0.09 0.04 -0.04 2.03 1.75 3h2xA1 MET 245 HG2 0.05 0.20 0.06 -0.04 2.63 2.89 3h2xA1 MET 245 HG3 0.05 -0.11 -0.01 -0.04 2.56 2.45 3h2xA1 MET 245 HE3 0.11 -0.01 -0.04 -0.04 2.10 2.12 3h2xA1 LEU 246 H -0.24 0.49 -0.19 -0.55 8.37 7.88 3h2xA1 LEU 246 HA -0.23 0.05 0.37 -0.75 4.35 3.78 3h2xA1 LEU 246 HB2 -0.31 0.17 0.13 -0.04 1.64 1.59 3h2xA1 LEU 246 HB3 -0.26 -0.10 -0.18 -0.04 1.64 1.06 3h2xA1 LEU 246 HG -0.79 0.16 -0.02 -0.04 1.64 0.95 3h2xA1 LEU 246 HD13 -0.06 -0.02 -0.06 -0.04 0.93 0.75 3h2xA1 LEU 246 HD23 -0.23 0.02 -0.08 -0.04 0.89 0.56 3h2xA1 LEU 247 H -0.12 0.53 -0.15 -0.55 8.37 8.09 3h2xA1 LEU 247 HA -0.22 -0.07 0.43 -0.75 4.35 3.74 3h2xA1 LEU 247 HB2 0.06 0.16 0.20 -0.04 1.64 2.02 3h2xA1 LEU 247 HB3 -0.09 -0.03 -0.01 -0.04 1.64 1.47 3h2xA1 LEU 247 HG -0.39 0.10 0.00 -0.04 1.64 1.31 3h2xA1 LEU 247 HD13 -0.32 0.01 -0.18 -0.04 0.93 0.40 3h2xA1 LEU 247 HD23 -0.82 -0.03 -0.02 -0.04 0.89 -0.02 3h2xA1 LYS 248 H 0.09 0.67 -0.02 -0.55 8.42 8.60 3h2xA1 LYS 248 HA 0.06 0.02 0.46 -0.75 4.32 4.11 3h2xA1 LYS 248 HB2 -0.00 0.07 0.15 -0.04 1.87 2.05 3h2xA1 LYS 248 HB3 -0.00 -0.02 0.04 -0.04 1.79 1.76 3h2xA1 LYS 248 HG2 0.11 -0.05 0.03 -0.04 1.46 1.51 3h2xA1 LYS 248 HG3 0.27 0.08 0.07 -0.04 1.46 1.84 3h2xA1 LYS 248 HD2 -0.22 0.01 -0.01 -0.04 1.69 1.44 3h2xA1 LYS 248 HD3 -0.57 -0.06 -0.03 -0.04 1.68 0.98 3h2xA1 LYS 248 HE2 -0.41 -0.07 -0.37 -0.04 2.99 2.10 3h2xA1 LYS 248 HE3 -0.14 0.02 -0.07 -0.04 2.99 2.75 3h2xA1 ASP 249 H -0.03 0.48 -0.26 -0.55 8.40 8.04 3h2xA1 ASP 249 HA 0.04 0.06 0.50 -0.75 4.63 4.48 3h2xA1 ASP 249 HB2 -0.00 0.06 0.11 -0.04 2.71 2.84 3h2xA1 ASP 249 HB3 -0.07 -0.03 0.04 -0.04 2.70 2.59 3h2xA1 GLY 250 H -0.05 0.25 -0.80 -0.55 8.43 7.29 3h2xA1 GLY 250 HA2 -0.07 -0.01 0.32 -0.51 4.01 3.73 3h2xA1 GLY 250 HA3 -0.03 0.02 0.38 -0.51 4.01 3.87 3h2xA1 ILE 251 H -0.10 0.69 -0.03 -0.55 8.25 8.26 3h2xA1 ILE 251 HA -0.05 0.21 0.90 -0.75 4.18 4.49 3h2xA1 ILE 251 HB -0.05 0.09 -0.24 -0.04 1.89 1.65 3h2xA1 ILE 251 HG12 -0.01 -0.03 -0.00 -0.04 1.49 1.41 3h2xA1 ILE 251 HG13 -0.01 -0.06 0.06 -0.04 1.21 1.15 3h2xA1 ILE 251 HG23 -0.10 -0.02 -0.04 -0.04 0.93 0.73 3h2xA1 ILE 251 HD13 -0.00 0.05 -0.03 -0.04 0.88 0.85 3h2xA1 ILE 252 H -0.16 0.08 -0.16 -0.55 8.25 7.46 3h2xA1 ILE 252 HA -0.19 0.05 0.34 -0.75 4.18 3.63 3h2xA1 ILE 252 HB -0.27 -0.06 0.02 -0.04 1.89 1.55 3h2xA1 ILE 252 HG12 -0.38 -0.02 -0.25 -0.04 1.49 0.80 3h2xA1 ILE 252 HG13 -0.77 -0.02 -0.06 -0.04 1.21 0.32 3h2xA1 ILE 252 HG23 -0.22 0.01 -0.21 -0.04 0.93 0.47 3h2xA1 ILE 252 HD13 -0.74 0.02 -0.04 -0.04 0.88 0.08 3h2xA1 PRO 253 HA 0.05 0.07 0.48 -0.51 4.44 4.53 3h2xA1 PRO 253 HB2 0.12 0.08 0.01 -0.04 2.28 2.44 3h2xA1 PRO 253 HB3 0.10 0.06 0.09 -0.04 2.02 2.23 3h2xA1 PRO 253 HG2 0.32 -0.05 -0.09 -0.04 2.03 2.18 3h2xA1 PRO 253 HG3 0.24 0.03 0.02 -0.04 2.03 2.28 3h2xA1 PRO 253 HD2 0.12 -0.04 0.18 -0.04 3.68 3.89 3h2xA1 PRO 253 HD3 0.08 0.26 0.22 -0.04 3.65 4.16 3h2xA1 GLU 254 H 0.08 0.10 0.11 -0.55 8.60 8.34 3h2xA1 GLU 254 HA 0.11 0.03 0.43 -0.75 4.29 4.10 3h2xA1 GLU 254 HB2 0.07 0.00 0.12 -0.04 2.09 2.24 3h2xA1 GLU 254 HB3 0.08 0.03 -0.06 -0.04 1.99 1.99 3h2xA1 GLU 254 HG2 0.07 -0.02 0.05 -0.04 2.34 2.40 3h2xA1 GLU 254 HG3 0.06 0.02 0.03 -0.04 2.34 2.41 3h2xA1 ASN 255 H 0.16 0.11 0.14 -0.55 8.53 8.39 3h2xA1 ASN 255 HA 0.18 0.02 0.31 -0.75 4.76 4.51 3h2xA1 ASN 255 HB2 0.10 0.19 -0.13 -0.04 2.88 3.00 3h2xA1 ASN 255 HB3 0.09 -0.03 0.12 -0.04 2.79 2.94 3h2xA1 ASN 255 HD21 0.06 -0.00 -0.09 -0.04 7.03 6.96 3h2xA1 ASN 255 HD22 0.07 0.07 -0.22 -0.04 7.74 7.61 3h2xA1 PHE 256 H 0.33 0.10 -0.23 -0.55 8.34 7.98 3h2xA1 PHE 256 HA 0.09 0.05 0.27 -0.75 4.62 4.28 3h2xA1 PHE 256 HB2 0.05 0.24 0.00 -0.04 3.15 3.40 3h2xA1 PHE 256 HB3 -0.10 -0.08 -0.01 -0.04 3.06 2.83 3h2xA1 PHE 256 HD2 -0.27 0.02 -0.12 -0.04 7.28 6.86 3h2xA1 PHE 256 HE2 0.01 0.00 -0.10 -0.04 7.38 7.25 3h2xA1 PHE 256 HZ 0.10 0.01 -0.07 -0.04 7.32 7.32 3h2xA1 SER 257 H -0.61 0.21 0.13 -0.55 8.46 7.64 3h2xA1 SER 257 HA 0.03 0.16 0.87 -0.75 4.49 4.80 3h2xA1 SER 257 HB2 0.06 0.24 -0.12 -0.04 3.95 4.10 3h2xA1 SER 257 HB3 -0.00 0.06 0.10 -0.04 3.93 4.04 3h2xA1 VAL 258 H 0.10 0.24 0.11 -0.55 8.24 8.13 3h2xA1 VAL 258 HA -0.07 0.14 0.43 -0.75 4.13 3.87 3h2xA1 VAL 258 HB 0.26 -0.02 0.09 -0.04 2.12 2.40 3h2xA1 VAL 258 HG13 -0.01 0.01 -0.16 -0.04 0.97 0.77 3h2xA1 VAL 258 HG23 0.09 0.03 -0.02 -0.04 0.95 1.01 3h2xA1 PHE 259 H 0.34 0.09 -0.09 -0.55 8.34 8.12 3h2xA1 PHE 259 HA 0.33 0.09 0.35 -0.75 4.62 4.65 3h2xA1 PHE 259 HB2 0.21 -0.01 0.07 -0.04 3.15 3.38 3h2xA1 PHE 259 HB3 0.10 -0.04 0.05 -0.04 3.06 3.13 3h2xA1 PHE 259 HD2 0.08 -0.02 -0.17 -0.04 7.28 7.13 3h2xA1 PHE 259 HE2 -0.00 0.08 -0.07 -0.04 7.38 7.35 3h2xA1 PHE 259 HZ -0.00 0.07 -0.14 -0.04 7.32 7.20 3h2xA1 SER 260 H 0.23 0.04 -0.30 -0.55 8.46 7.88 3h2xA1 SER 260 HA 0.11 0.10 0.40 -0.75 4.49 4.35 3h2xA1 SER 260 HB2 0.03 0.04 0.09 -0.04 3.95 4.07 3h2xA1 SER 260 HB3 0.06 0.06 -0.02 -0.04 3.93 4.00 3h2xA1 LEU 261 H -0.05 0.45 -0.16 -0.55 8.37 8.07 3h2xA1 LEU 261 HA 0.01 0.07 0.40 -0.75 4.35 4.08 3h2xA1 LEU 261 HB2 -0.09 0.02 0.09 -0.04 1.64 1.62 3h2xA1 LEU 261 HB3 0.00 0.01 0.16 -0.04 1.64 1.77 3h2xA1 LEU 261 HG 0.06 -0.02 -0.26 -0.04 1.64 1.39 3h2xA1 LEU 261 HD13 0.11 0.00 -0.00 -0.04 0.93 1.01 3h2xA1 LEU 261 HD23 0.32 -0.00 -0.02 -0.04 0.89 1.14 3h2xA1 ILE 262 H 0.05 0.54 -0.15 -0.55 8.25 8.14 3h2xA1 ILE 262 HA 0.02 0.01 0.38 -0.75 4.18 3.84 3h2xA1 ILE 262 HB 0.04 0.09 0.11 -0.04 1.89 2.09 3h2xA1 ILE 262 HG12 0.18 0.24 0.08 -0.04 1.49 1.95 3h2xA1 ILE 262 HG13 0.39 -0.10 -0.03 -0.04 1.21 1.43 3h2xA1 ILE 262 HG23 0.07 -0.01 -0.10 -0.04 0.93 0.84 3h2xA1 ILE 262 HD13 0.09 -0.02 -0.09 -0.04 0.88 0.82 3h2xA1 ARG 263 H -0.11 0.42 -0.18 -0.55 8.46 8.04 3h2xA1 ARG 263 HA -0.09 0.05 0.44 -0.75 4.34 3.99 3h2xA1 ARG 263 HB2 -0.09 0.02 0.15 -0.04 1.90 1.94 3h2xA1 ARG 263 HB3 -0.04 0.02 -0.02 -0.04 1.80 1.72 3h2xA1 ARG 263 HG2 -0.28 0.00 0.01 -0.04 1.67 1.36 3h2xA1 ARG 263 HG3 -0.69 0.01 0.00 -0.04 1.67 0.96 3h2xA1 ARG 263 HD2 -0.12 -0.03 -0.07 -0.04 3.22 2.96 3h2xA1 ARG 263 HD3 0.03 -0.05 -0.07 -0.04 3.22 3.09 3h2xA1 GLU 264 H -0.01 0.56 -0.23 -0.55 8.60 8.37 3h2xA1 GLU 264 HA 0.03 0.02 0.43 -0.75 4.29 4.01 3h2xA1 GLU 264 HB2 -0.01 0.14 0.21 -0.04 2.09 2.39 3h2xA1 GLU 264 HB3 -0.00 -0.04 0.01 -0.04 1.99 1.91 3h2xA1 GLU 264 HG2 0.04 -0.04 0.01 -0.04 2.34 2.31 3h2xA1 GLU 264 HG3 0.03 0.09 0.05 -0.04 2.34 2.47 3h2xA1 MET 265 H -0.02 0.46 -0.13 -0.55 8.47 8.23 3h2xA1 MET 265 HA -0.02 0.06 0.57 -0.75 4.52 4.38 3h2xA1 MET 265 HB2 -0.03 0.07 0.11 -0.04 2.15 2.26 3h2xA1 MET 265 HB3 -0.05 -0.07 0.06 -0.04 2.03 1.93 3h2xA1 MET 265 HG2 -0.13 0.01 -0.03 -0.04 2.63 2.44 3h2xA1 MET 265 HG3 -0.07 0.22 0.02 -0.04 2.56 2.69 3h2xA1 MET 265 HE3 -0.25 0.04 -0.18 -0.04 2.10 1.67 3h2xA1 ARG 266 H -0.01 0.47 -0.22 -0.55 8.46 8.15 3h2xA1 ARG 266 HA -0.01 0.21 0.54 -0.75 4.34 4.33 3h2xA1 ARG 266 HB2 -0.02 0.11 0.18 -0.04 1.90 2.13 3h2xA1 ARG 266 HB3 -0.01 -0.05 0.08 -0.04 1.80 1.78 3h2xA1 ARG 266 HG2 -0.03 -0.25 0.08 -0.04 1.67 1.44 3h2xA1 ARG 266 HG3 -0.02 0.18 0.06 -0.04 1.67 1.85 3h2xA1 ARG 266 HD2 -0.10 -0.04 -0.12 -0.04 3.22 2.92 3h2xA1 ARG 266 HD3 -0.07 -0.03 -0.02 -0.04 3.22 3.06 3h2xA1 THR 267 H 0.07 0.31 -0.58 -0.55 8.28 7.52 3h2xA1 THR 267 HA 0.01 0.09 0.52 -0.75 4.39 4.25 3h2xA1 THR 267 HB 0.22 -0.10 0.13 -0.04 4.32 4.52 3h2xA1 THR 267 HG23 0.11 0.06 0.05 -0.04 1.22 1.41 3h2xA1 GLN 268 H 0.13 0.35 -0.39 -0.55 8.47 8.00 3h2xA1 GLN 268 HA 0.27 0.11 0.92 -0.75 4.36 4.91 3h2xA1 GLN 268 HB2 0.05 0.04 0.15 -0.04 2.15 2.36 3h2xA1 GLN 268 HB3 0.04 0.16 0.19 -0.04 2.02 2.38 3h2xA1 GLN 268 HG2 0.20 -0.01 -0.04 -0.04 2.40 2.51 3h2xA1 GLN 268 HG3 0.14 0.02 -0.11 -0.04 2.39 2.39 3h2xA1 GLN 268 HE21 -0.02 -0.06 -0.01 -0.04 6.97 6.84 3h2xA1 GLN 268 HE22 0.03 0.35 0.03 -0.04 7.69 8.06 3h2xA1 ARG 269 H 0.03 0.38 0.06 -0.55 8.46 8.37 3h2xA1 ARG 269 HA -0.36 0.09 0.68 -0.75 4.34 3.99 3h2xA1 ARG 269 HB2 -0.12 0.04 -0.14 -0.04 1.90 1.65 3h2xA1 ARG 269 HB3 -0.09 -0.05 0.04 -0.04 1.80 1.65 3h2xA1 ARG 269 HG2 -0.11 -0.09 -0.07 -0.04 1.67 1.37 3h2xA1 ARG 269 HG3 -0.16 0.16 -0.27 -0.04 1.67 1.35 3h2xA1 ARG 269 HD2 -0.21 -0.02 -0.01 -0.04 3.22 2.93 3h2xA1 ARG 269 HD3 -0.15 -0.02 0.02 -0.04 3.22 3.03 3h2xA1 PRO 270 HA -0.11 0.14 0.54 -0.51 4.44 4.50 3h2xA1 PRO 270 HB2 -0.15 -0.01 -0.03 -0.04 2.28 2.05 3h2xA1 PRO 270 HB3 -0.28 0.09 0.09 -0.04 2.02 1.88 3h2xA1 PRO 270 HG2 -0.26 -0.07 -0.10 -0.04 2.03 1.56 3h2xA1 PRO 270 HG3 -0.39 0.37 -0.02 -0.04 2.03 1.95 3h2xA1 PRO 270 HD2 -0.56 0.05 0.13 -0.04 3.68 3.26 3h2xA1 PRO 270 HD3 -1.84 0.12 0.06 -0.04 3.65 1.95 3h2xA1 SER 271 H -0.06 0.20 0.13 -0.55 8.46 8.19 3h2xA1 SER 271 HA -0.05 0.08 0.21 -0.75 4.49 3.97 3h2xA1 SER 271 HB2 -0.08 0.12 -0.21 -0.04 3.95 3.74 3h2xA1 SER 271 HB3 -0.06 -0.13 0.03 -0.04 3.93 3.73 3h2xA1 LEU 272 H -0.05 0.26 -0.39 -0.55 8.37 7.65 3h2xA1 LEU 272 HA -0.04 0.00 0.37 -0.75 4.35 3.93 3h2xA1 LEU 272 HB2 -0.04 0.21 -0.02 -0.04 1.64 1.75 3h2xA1 LEU 272 HB3 -0.01 -0.06 -0.05 -0.04 1.64 1.48 3h2xA1 LEU 272 HG -0.05 -0.17 -0.01 -0.04 1.64 1.37 3h2xA1 LEU 272 HD13 -0.07 0.01 -0.06 -0.04 0.93 0.76 3h2xA1 LEU 272 HD23 -0.05 0.04 -0.09 -0.04 0.89 0.74 3h2xA1 VAL 273 H -0.01 0.40 0.16 -0.55 8.24 8.25 3h2xA1 VAL 273 HA 0.04 -0.15 0.40 -0.75 4.13 3.66 3h2xA1 VAL 273 HB 0.18 0.39 0.36 -0.04 2.12 3.00 3h2xA1 VAL 273 HG13 0.15 -0.05 -0.19 -0.04 0.97 0.83 3h2xA1 VAL 273 HG23 0.08 -0.03 -0.31 -0.04 0.95 0.65 3h2xA1 GLN 274 H 0.02 -0.15 0.13 -0.55 8.47 7.92 3h2xA1 GLN 274 HA 0.16 0.37 0.69 -0.75 4.36 4.83 3h2xA1 GLN 274 HB2 -0.02 -0.18 0.10 -0.04 2.15 2.01 3h2xA1 GLN 274 HB3 0.01 0.05 0.05 -0.04 2.02 2.09 3h2xA1 GLN 274 HG2 -0.03 0.24 -0.06 -0.04 2.40 2.51 3h2xA1 GLN 274 HG3 -0.03 -0.10 -0.13 -0.04 2.39 2.09 3h2xA1 GLN 274 HE21 -0.19 -0.02 -0.02 -0.04 6.97 6.69 3h2xA1 GLN 274 HE22 -0.10 0.14 -0.04 -0.04 7.69 7.65 3h2xA1 THR 275 H -0.04 -0.01 0.03 -0.55 8.28 7.71 3h2xA1 THR 275 HA 0.09 0.42 1.09 -0.75 4.39 5.23 3h2xA1 THR 275 HB -0.01 -0.01 0.14 -0.04 4.32 4.39 3h2xA1 THR 275 HG23 0.02 0.05 -0.13 -0.04 1.22 1.12 3h2xA1 GLN 276 H -0.14 0.26 0.15 -0.55 8.47 8.19 3h2xA1 GLN 276 HA -0.87 0.16 0.39 -0.75 4.36 3.29 3h2xA1 GLN 276 HB2 0.04 0.12 0.10 -0.04 2.15 2.36 3h2xA1 GLN 276 HB3 -0.05 -0.02 0.12 -0.04 2.02 2.03 3h2xA1 GLN 276 HG2 -0.08 -0.05 -0.30 -0.04 2.40 1.93 3h2xA1 GLN 276 HG3 0.05 0.06 -0.17 -0.04 2.39 2.29 3h2xA1 GLN 276 HE21 0.08 0.13 0.08 -0.04 6.97 7.22 3h2xA1 GLN 276 HE22 0.11 -0.08 -0.02 -0.04 7.69 7.66 3h2xA1 GLU 277 H -0.10 0.13 -0.11 -0.55 8.60 7.97 3h2xA1 GLU 277 HA -0.11 0.10 0.39 -0.75 4.29 3.91 3h2xA1 GLU 277 HB2 0.05 -0.01 0.03 -0.04 2.09 2.12 3h2xA1 GLU 277 HB3 0.05 0.04 -0.03 -0.04 1.99 2.00 3h2xA1 GLU 277 HG2 0.03 0.09 0.01 -0.04 2.34 2.43 3h2xA1 GLU 277 HG3 -0.06 0.02 0.01 -0.04 2.34 2.27 3h2xA1 GLN 278 H -0.08 0.05 -0.32 -0.55 8.47 7.58 3h2xA1 GLN 278 HA 0.07 0.10 0.41 -0.75 4.36 4.18 3h2xA1 GLN 278 HB2 -0.06 0.08 0.07 -0.04 2.15 2.20 3h2xA1 GLN 278 HB3 0.04 0.06 -0.02 -0.04 2.02 2.06 3h2xA1 GLN 278 HG2 0.14 0.10 -0.01 -0.04 2.40 2.59 3h2xA1 GLN 278 HG3 0.03 -0.04 0.02 -0.04 2.39 2.36 3h2xA1 GLN 278 HE21 -0.12 -0.13 0.07 -0.04 6.97 6.74 3h2xA1 GLN 278 HE22 -0.08 0.16 0.01 -0.04 7.69 7.74 3h2xA1 TYR 279 H -0.22 0.41 -0.28 -0.55 8.29 7.65 3h2xA1 TYR 279 HA -0.11 0.07 0.36 -0.75 4.56 4.13 3h2xA1 TYR 279 HB2 -0.76 0.10 0.04 -0.04 3.06 2.39 3h2xA1 TYR 279 HB3 -0.46 0.11 0.15 -0.04 2.98 2.75 3h2xA1 TYR 279 HD2 0.07 0.02 -0.06 -0.04 7.15 7.13 3h2xA1 TYR 279 HE2 0.27 0.03 -0.12 -0.04 6.85 6.99 3h2xA1 GLU 280 H -0.26 0.61 -0.09 -0.55 8.60 8.32 3h2xA1 GLU 280 HA -0.84 0.02 0.39 -0.75 4.29 3.10 3h2xA1 GLU 280 HB2 -0.29 0.10 0.14 -0.04 2.09 2.00 3h2xA1 GLU 280 HB3 -0.45 -0.04 0.01 -0.04 1.99 1.47 3h2xA1 GLU 280 HG2 -1.95 -0.03 0.01 -0.04 2.34 0.33 3h2xA1 GLU 280 HG3 -0.52 0.22 0.04 -0.04 2.34 2.04 3h2xA1 LEU 281 H -0.13 0.43 -0.38 -0.55 8.37 7.74 3h2xA1 LEU 281 HA -0.09 -0.03 0.38 -0.75 4.35 3.86 3h2xA1 LEU 281 HB2 -0.04 -0.00 0.11 -0.04 1.64 1.67 3h2xA1 LEU 281 HB3 -0.01 0.20 0.19 -0.04 1.64 1.98 3h2xA1 LEU 281 HG -0.06 0.03 -0.19 -0.04 1.64 1.39 3h2xA1 LEU 281 HD13 -0.14 -0.02 -0.03 -0.04 0.93 0.70 3h2xA1 LEU 281 HD23 -0.13 -0.01 -0.03 -0.04 0.89 0.68 3h2xA1 VAL 282 H -0.07 0.49 -0.12 -0.55 8.24 7.99 3h2xA1 VAL 282 HA -0.02 0.04 0.37 -0.75 4.13 3.76 3h2xA1 VAL 282 HB -0.10 0.12 0.15 -0.04 2.12 2.25 3h2xA1 VAL 282 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.79 3h2xA1 VAL 282 HG23 0.03 0.06 0.06 -0.04 0.95 1.06 3h2xA1 TYR 283 H -0.11 0.55 -0.15 -0.55 8.29 8.03 3h2xA1 TYR 283 HA -0.04 -0.01 0.36 -0.75 4.56 4.11 3h2xA1 TYR 283 HB2 -0.23 0.00 0.07 -0.04 3.06 2.86 3h2xA1 TYR 283 HB3 -0.17 0.07 0.15 -0.04 2.98 3.00 3h2xA1 TYR 283 HD2 0.13 -0.02 -0.12 -0.04 7.15 7.09 3h2xA1 TYR 283 HE2 0.03 0.02 -0.03 -0.04 6.85 6.83 3h2xA1 ASN 284 H 0.03 0.77 -0.05 -0.55 8.53 8.73 3h2xA1 ASN 284 HA 0.02 0.03 0.45 -0.75 4.76 4.50 3h2xA1 ASN 284 HB2 -0.03 0.06 0.11 -0.04 2.88 2.98 3h2xA1 ASN 284 HB3 -0.01 -0.05 0.01 -0.04 2.79 2.70 3h2xA1 ASN 284 HD21 0.23 -0.01 -0.01 -0.04 7.03 7.19 3h2xA1 ASN 284 HD22 0.22 0.01 -0.00 -0.04 7.74 7.93 3h2xA1 ALA 285 H -0.06 0.71 -0.13 -0.55 8.40 8.36 3h2xA1 ALA 285 HA -0.10 -0.02 0.43 -0.75 4.34 3.90 3h2xA1 ALA 285 HB3 -0.07 0.01 0.08 -0.04 1.41 1.39 3h2xA1 VAL 286 H -0.09 0.63 -0.14 -0.55 8.24 8.09 3h2xA1 VAL 286 HA -0.04 0.03 0.39 -0.75 4.13 3.76 3h2xA1 VAL 286 HB -0.15 0.13 0.16 -0.04 2.12 2.21 3h2xA1 VAL 286 HG13 -0.15 -0.02 -0.17 -0.04 0.97 0.59 3h2xA1 VAL 286 HG23 0.07 0.04 0.01 -0.04 0.95 1.03 3h2xA1 LEU 287 H -0.20 0.50 -0.13 -0.55 8.37 7.99 3h2xA1 LEU 287 HA -0.07 0.02 0.38 -0.75 4.35 3.93 3h2xA1 LEU 287 HB2 -0.28 0.04 0.12 -0.04 1.64 1.47 3h2xA1 LEU 287 HB3 -0.10 0.11 0.16 -0.04 1.64 1.77 3h2xA1 LEU 287 HG -0.02 -0.02 -0.17 -0.04 1.64 1.39 3h2xA1 LEU 287 HD13 -0.05 -0.01 0.02 -0.04 0.93 0.86 3h2xA1 LEU 287 HD23 0.01 -0.00 -0.02 -0.04 0.89 0.83 3h2xA1 GLU 288 H -0.08 0.52 -0.18 -0.55 8.60 8.31 3h2xA1 GLU 288 HA -0.04 0.01 0.43 -0.75 4.29 3.93 3h2xA1 GLU 288 HB2 -0.07 0.00 0.12 -0.04 2.09 2.10 3h2xA1 GLU 288 HB3 -0.11 0.16 0.17 -0.04 1.99 2.17 3h2xA1 GLU 288 HG2 -0.10 -0.06 -0.04 -0.04 2.34 2.10 3h2xA1 GLU 288 HG3 -0.15 0.01 -0.20 -0.04 2.34 1.97 3h2xA1 LEU 289 H -0.12 0.52 -0.21 -0.55 8.37 8.01 3h2xA1 LEU 289 HA -0.34 0.00 0.45 -0.75 4.35 3.70 3h2xA1 LEU 289 HB2 -0.14 0.14 0.16 -0.04 1.64 1.76 3h2xA1 LEU 289 HB3 -0.43 -0.04 -0.01 -0.04 1.64 1.11 3h2xA1 LEU 289 HG -0.43 0.13 0.03 -0.04 1.64 1.34 3h2xA1 LEU 289 HD13 -0.34 -0.03 -0.06 -0.04 0.93 0.47 3h2xA1 LEU 289 HD23 -1.69 -0.02 -0.01 -0.04 0.89 -0.86 3h2xA1 PHE 290 H 0.23 0.56 -0.16 -0.55 8.34 8.41 3h2xA1 PHE 290 HA -0.14 0.01 0.45 -0.75 4.62 4.19 3h2xA1 PHE 290 HB2 0.00 0.14 0.18 -0.04 3.15 3.43 3h2xA1 PHE 290 HB3 0.02 -0.03 -0.02 -0.04 3.06 2.99 3h2xA1 PHE 290 HD2 -0.12 0.12 0.02 -0.04 7.28 7.27 3h2xA1 PHE 290 HE2 -0.55 -0.01 -0.07 -0.04 7.38 6.71 3h2xA1 PHE 290 HZ -1.10 -0.02 -0.08 -0.04 7.32 6.08 3h2xA1 LYS 291 H 0.07 0.47 -0.23 -0.55 8.42 8.17 3h2xA1 LYS 291 HA 0.04 0.02 0.45 -0.75 4.32 4.08 3h2xA1 LYS 291 HB2 -0.01 0.16 0.19 -0.04 1.87 2.17 3h2xA1 LYS 291 HB3 -0.00 -0.05 0.02 -0.04 1.79 1.72 3h2xA1 LYS 291 HG2 0.04 -0.05 0.02 -0.04 1.46 1.43 3h2xA1 LYS 291 HG3 0.05 0.24 0.08 -0.04 1.46 1.79 3h2xA1 LYS 291 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 3h2xA1 LYS 291 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 3h2xA1 LYS 291 HE2 0.01 0.00 -0.02 -0.04 2.99 2.94 3h2xA1 LYS 291 HE3 0.01 0.00 -0.08 -0.04 2.99 2.88 3h2xA1 ARG 292 H -0.07 0.55 -0.07 -0.55 8.46 8.32 3h2xA1 ARG 292 HA -0.03 0.02 0.44 -0.75 4.34 4.02 3h2xA1 ARG 292 HB2 -0.14 0.09 0.14 -0.04 1.90 1.94 3h2xA1 ARG 292 HB3 -0.03 -0.03 0.03 -0.04 1.80 1.73 3h2xA1 ARG 292 HG2 -0.07 -0.06 0.02 -0.04 1.67 1.52 3h2xA1 ARG 292 HG3 -0.11 0.37 0.09 -0.04 1.67 1.97 3h2xA1 ARG 292 HD2 -0.27 -0.00 -0.06 -0.04 3.22 2.84 3h2xA1 ARG 292 HD3 -0.08 -0.01 -0.03 -0.04 3.22 3.07 3h2xA1 GLN 293 H -0.09 0.58 -0.20 -0.55 8.47 8.22 3h2xA1 GLN 293 HA 0.00 0.05 0.45 -0.75 4.36 4.10 3h2xA1 GLN 293 HB2 -0.15 0.10 0.12 -0.04 2.15 2.18 3h2xA1 GLN 293 HB3 -0.18 0.06 0.08 -0.04 2.02 1.94 3h2xA1 GLN 293 HG2 -0.16 -0.00 0.00 -0.04 2.40 2.20 3h2xA1 GLN 293 HG3 -0.08 -0.07 -0.06 -0.04 2.39 2.13 3h2xA1 GLN 293 HE21 0.04 0.03 -0.00 -0.04 6.97 7.00 3h2xA1 GLN 293 HE22 -0.01 -0.05 0.01 -0.04 7.69 7.60 3h2xA1 MET 294 H -0.03 0.43 -0.30 -0.55 8.47 8.02 3h2xA1 MET 294 HA -0.01 -0.02 0.43 -0.75 4.52 4.16 3h2xA1 MET 294 HB2 0.01 0.14 0.15 -0.04 2.15 2.41 3h2xA1 MET 294 HB3 0.01 0.18 0.13 -0.04 2.03 2.30 3h2xA1 MET 294 HG2 0.02 -0.01 -0.00 -0.04 2.63 2.59 3h2xA1 MET 294 HG3 0.01 -0.03 -0.03 -0.04 2.56 2.46 3h2xA1 MET 294 HE3 0.01 -0.01 0.03 -0.04 2.10 2.08 3h2xA1 ASP 295 H -0.01 0.38 -0.30 -0.55 8.40 7.93 3h2xA1 ASP 295 HA 0.00 0.01 0.44 -0.75 4.63 4.33 3h2xA1 ASP 295 HB2 -0.00 0.21 0.17 -0.04 2.71 3.05 3h2xA1 ASP 295 HB3 -0.00 -0.05 0.01 -0.04 2.70 2.62 3h2xA1 VAL 296 H 0.01 0.39 -0.22 -0.55 8.24 7.87 3h2xA1 VAL 296 HA 0.03 0.01 0.43 -0.75 4.13 3.85 3h2xA1 VAL 296 HB 0.03 0.16 0.22 -0.04 2.12 2.49 3h2xA1 VAL 296 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.86 3h2xA1 VAL 296 HG23 0.07 0.05 0.05 -0.04 0.95 1.08 3h2xA1 ILE 297 H 0.01 0.62 -0.05 -0.55 8.25 8.28 3h2xA1 ILE 297 HA 0.03 0.02 0.38 -0.75 4.18 3.85 3h2xA1 ILE 297 HB 0.01 0.09 0.19 -0.04 1.89 2.14 3h2xA1 ILE 297 HG12 -0.00 -0.02 0.03 -0.04 1.49 1.45 3h2xA1 ILE 297 HG13 -0.01 0.26 0.08 -0.04 1.21 1.49 3h2xA1 ILE 297 HG23 0.04 -0.03 -0.10 -0.04 0.93 0.79 3h2xA1 ILE 297 HD13 -0.03 -0.05 -0.11 -0.04 0.88 0.65 3h2xA1 ARG 298 H 0.02 0.53 -0.15 -0.55 8.46 8.31 3h2xA1 ARG 298 HA 0.03 -0.00 0.45 -0.75 4.34 4.06 3h2xA1 ARG 298 HB2 0.00 0.09 0.16 -0.04 1.90 2.11 3h2xA1 ARG 298 HB3 -0.01 -0.04 0.03 -0.04 1.80 1.74 3h2xA1 ARG 298 HG2 -0.03 -0.06 0.04 -0.04 1.67 1.58 3h2xA1 ARG 298 HG3 0.00 -0.01 0.09 -0.04 1.67 1.71 3h2xA1 ARG 298 HD2 -0.01 -0.08 -0.02 -0.04 3.22 3.07 3h2xA1 ARG 298 HD3 -0.00 0.09 -0.13 -0.04 3.22 3.14 3h2xA1 ASP 299 H 0.03 0.53 -0.15 -0.55 8.40 8.25 3h2xA1 ASP 299 HA 0.03 0.01 0.42 -0.75 4.63 4.33 3h2xA1 ASP 299 HB2 0.02 0.09 0.19 -0.04 2.71 2.97 3h2xA1 ASP 299 HB3 0.02 -0.06 -0.02 -0.04 2.70 2.60 3h2xA1 LYS 300 H 0.04 0.48 -0.17 -0.55 8.42 8.22 3h2xA1 LYS 300 HA 0.03 0.03 0.48 -0.75 4.32 4.11 3h2xA1 LYS 300 HB2 0.03 0.10 0.11 -0.04 1.87 2.06 3h2xA1 LYS 300 HB3 0.01 -0.10 0.03 -0.04 1.79 1.69 3h2xA1 LYS 300 HG2 0.02 -0.06 0.01 -0.04 1.46 1.39 3h2xA1 LYS 300 HG3 0.03 0.09 0.05 -0.04 1.46 1.60 3h2xA1 LYS 300 HD2 0.02 0.01 -0.05 -0.04 1.69 1.63 3h2xA1 LYS 300 HD3 0.01 -0.04 -0.00 -0.04 1.68 1.61 3h2xA1 LYS 300 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.94 3h2xA1 LYS 300 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 3h2xA1 HIS 301 H 0.13 0.33 -0.28 -0.55 8.41 8.04 3h2xA1 HIS 301 HA 0.00 -0.15 0.35 -0.75 4.63 4.08 3h2xA1 HIS 301 HB2 0.00 0.06 0.16 -0.04 3.26 3.45 3h2xA1 HIS 301 HB3 0.00 0.17 0.17 -0.04 3.20 3.50 3h2xA1 HIS 301 HD2 0.00 -0.03 0.00 -0.04 6.97 6.90 3h2xA1 HIS 301 HE1 0.00 -0.00 -0.06 -0.04 7.75 7.64 3h2xA1 SER 302 H -0.24 0.02 0.16 -0.55 8.46 7.86 3h2xA1 SER 302 HA 0.02 0.23 0.62 -0.75 4.49 4.61 3h2xA1 SER 302 HB2 -0.09 -0.05 0.14 -0.04 3.95 3.90 3h2xA1 SER 302 HB3 -0.03 -0.05 0.10 -0.04 3.93 3.91