============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 6 1.040 29.795 -29.826 130.379 -99.200 -91.000 TRP6 6 1.020 30.895 -27.930 129.524 -99.200 -91.000 TYR 12 0.840 15.499 -25.899 131.023 -99.200 -91.000 TYR 28 0.840 20.118 -27.786 134.096 -99.200 -91.000 PHE 31 1.000 14.572 -27.030 135.643 -99.200 -91.000 TYR 33 0.840 15.965 -24.116 145.569 -99.200 -91.000 PHE 35 1.000 8.586 -33.590 140.410 -99.200 -91.000 HIS 49 0.900 10.452 -25.003 138.012 -99.200 -91.000 TYR 50 0.840 4.301 -26.571 134.351 -99.200 -91.000 TYR 52 0.840 11.145 -28.512 129.731 -99.200 -91.000 HIS 53 0.900 12.613 -29.071 140.014 -99.200 -91.000 HIS 56 0.900 16.719 -31.406 131.966 -99.200 -91.000 TYR 57 0.840 15.571 -33.235 142.662 -99.200 -91.000 PHE 63 1.000 24.630 -25.712 135.941 -99.200 -91.000 PHE 101 1.000 1.576 -18.559 111.869 -99.200 -91.000 PHE 112 1.000 -6.682 -17.884 124.766 -99.200 -91.000 TRP 123 1.040 -6.191 -13.015 124.767 -99.200 -91.000 TRP6 123 1.020 -4.121 -12.391 123.829 -99.200 -91.000 TRP 129 1.040 -9.621 -1.745 119.170 -99.200 -91.000 TRP6 129 1.020 -7.376 -1.405 118.505 -99.200 -91.000 HIS 131 0.900 -12.031 -8.246 110.300 -99.200 -91.000 TYR 142 0.840 -2.567 -15.990 103.196 -99.200 -91.000 PHE 144 1.000 4.092 -8.313 107.337 -99.200 -91.000 TYR 150 0.840 4.843 -16.001 97.261 -99.200 -91.000 TYR 157 0.840 12.067 -3.936 104.577 -99.200 -91.000 TRP 158 1.040 3.734 -5.214 103.254 -99.200 -91.000 TRP6 158 1.020 1.449 -5.591 103.688 -99.200 -91.000 PHE 160 1.000 2.130 -1.703 108.670 -99.200 -91.000 PHE 195 1.000 29.199 -3.222 117.541 -99.200 -91.000 PHE 204 1.000 9.374 -15.221 108.595 -99.200 -91.000 PHE 208 1.000 14.987 -1.365 109.626 -99.200 -91.000 TYR 236 0.840 22.642 -3.409 105.274 -99.200 -91.000 HIS 249 0.900 33.954 -4.110 118.866 -99.200 -91.000 PHE 257 1.000 18.281 -5.822 107.479 -99.200 -91.000 TYR 267 0.840 9.241 12.740 110.265 -99.200 -91.000 PHE 277 1.000 9.543 1.843 102.645 -99.200 -91.000 PHE 283 1.000 -1.677 1.494 109.983 -99.200 -91.000 TYR 288 0.840 -14.291 4.237 114.221 -99.200 -91.000 HIS 291 0.900 -14.615 8.321 121.860 -99.200 -91.000 PHE 298 1.000 -11.250 -6.331 127.639 -99.200 -91.000 TRP 317 1.040 -13.878 -15.372 113.886 -99.200 -91.000 TRP6 317 1.020 -14.952 -17.045 115.134 -99.200 -91.000 TYR 318 0.840 -12.534 -12.564 110.014 -99.200 -91.000 PHE 324 1.000 -4.430 -20.948 108.570 -99.200 -91.000 TRP 335 1.040 -6.080 -23.973 118.425 -99.200 -91.000 TRP6 335 1.020 -6.655 -22.774 120.386 -99.200 -91.000 PHE 343 1.000 -15.743 -16.472 121.728 -99.200 -91.000 TYR 348 0.840 -15.561 -11.015 115.136 -99.200 -91.000 PHE 353 1.000 -24.464 -2.483 116.662 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2h1lC1 THR 265 HA 0.02 -0.01 0.15 -0.75 4.39 3.80 2h1lC1 THR 265 HB 0.02 -0.07 -0.12 -0.04 4.32 4.12 2h1lC1 THR 265 HG23 0.02 0.01 -0.01 -0.04 1.22 1.20 2h1lC1 LYS 266 H 0.02 0.14 0.06 -0.55 8.42 8.09 2h1lC1 LYS 266 HA 0.03 -0.08 0.41 -0.75 4.32 3.92 2h1lC1 LYS 266 HB2 0.02 0.13 -0.20 -0.04 1.87 1.77 2h1lC1 LYS 266 HB3 0.02 0.01 0.11 -0.04 1.79 1.89 2h1lC1 LYS 266 HG2 0.02 -0.02 0.03 -0.04 1.46 1.44 2h1lC1 LYS 266 HG3 0.02 -0.01 -0.02 -0.04 1.46 1.40 2h1lC1 LYS 266 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 2h1lC1 LYS 266 HD3 0.01 0.01 -0.06 -0.04 1.68 1.60 2h1lC1 LYS 266 HE2 0.01 0.05 -0.01 -0.04 2.99 3.00 2h1lC1 LYS 266 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 2h1lC1 GLN 267 H 0.05 0.01 0.06 -0.55 8.47 8.05 2h1lC1 GLN 267 HA 0.07 0.24 0.71 -0.75 4.36 4.63 2h1lC1 GLN 267 HB2 0.13 -0.10 0.16 -0.04 2.15 2.30 2h1lC1 GLN 267 HB3 0.07 0.04 -0.00 -0.04 2.02 2.09 2h1lC1 GLN 267 HG2 0.06 -0.07 0.05 -0.04 2.40 2.40 2h1lC1 GLN 267 HG3 0.09 0.05 -0.14 -0.04 2.39 2.35 2h1lC1 GLN 267 HE21 0.03 0.01 -0.01 -0.04 6.97 6.95 2h1lC1 GLN 267 HE22 0.04 -0.01 -0.01 -0.04 7.69 7.67 2h1lC1 VAL 268 H 0.17 0.09 0.12 -0.55 8.24 8.07 2h1lC1 VAL 268 HA 0.15 0.23 0.73 -0.75 4.13 4.48 2h1lC1 VAL 268 HB 0.14 0.15 -0.13 -0.04 2.12 2.24 2h1lC1 VAL 268 HG13 0.20 -0.04 -0.08 -0.04 0.97 1.02 2h1lC1 VAL 268 HG23 0.25 0.01 -0.11 -0.04 0.95 1.06 2h1lC1 SER 269 H 0.18 0.22 0.08 -0.55 8.46 8.40 2h1lC1 SER 269 HA 0.24 0.20 0.90 -0.75 4.49 5.07 2h1lC1 SER 269 HB2 0.13 0.14 0.04 -0.04 3.95 4.22 2h1lC1 SER 269 HB3 0.15 0.05 0.20 -0.04 3.93 4.29 2h1lC1 TRP 270 H 0.68 0.32 0.06 -0.55 7.97 8.47 2h1lC1 TRP 270 HA -0.00 0.07 0.34 -0.75 4.62 4.27 2h1lC1 TRP 270 HB2 0.02 -0.00 0.12 -0.04 3.23 3.33 2h1lC1 TRP 270 HB3 0.00 0.06 0.01 -0.04 3.23 3.26 2h1lC1 TRP 270 HD1 0.05 0.06 -0.05 -0.04 7.22 7.24 2h1lC1 TRP 270 HE1 0.05 0.03 -0.01 -0.04 10.20 10.23 2h1lC1 TRP 270 HE3 0.01 0.02 -0.01 -0.04 7.59 7.58 2h1lC1 TRP 270 HZ2 0.03 0.02 -0.02 -0.04 7.44 7.43 2h1lC1 TRP 270 HZ3 0.02 0.05 -0.13 -0.04 7.13 7.03 2h1lC1 TRP 270 HH2 0.02 0.01 -0.07 -0.04 7.19 7.12 2h1lC1 LYS 271 H 0.22 0.11 -0.14 -0.55 8.42 8.06 2h1lC1 LYS 271 HA 0.10 0.09 0.31 -0.75 4.32 4.07 2h1lC1 LYS 271 HB2 0.08 0.03 0.09 -0.04 1.87 2.02 2h1lC1 LYS 271 HB3 0.10 -0.02 0.02 -0.04 1.79 1.85 2h1lC1 LYS 271 HG2 0.07 0.02 -0.18 -0.04 1.46 1.33 2h1lC1 LYS 271 HG3 0.06 0.02 0.02 -0.04 1.46 1.52 2h1lC1 LYS 271 HD2 0.04 0.01 -0.01 -0.04 1.69 1.69 2h1lC1 LYS 271 HD3 0.05 -0.01 -0.03 -0.04 1.68 1.65 2h1lC1 LYS 271 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 2h1lC1 LYS 271 HE3 0.03 0.02 -0.02 -0.04 2.99 2.98 2h1lC1 LEU 272 H 0.12 0.12 -0.35 -0.55 8.37 7.72 2h1lC1 LEU 272 HA 0.18 0.08 0.40 -0.75 4.35 4.26 2h1lC1 LEU 272 HB2 0.17 0.11 0.15 -0.04 1.64 2.02 2h1lC1 LEU 272 HB3 0.33 0.03 -0.03 -0.04 1.64 1.93 2h1lC1 LEU 272 HG 0.13 -0.05 0.02 -0.04 1.64 1.70 2h1lC1 LEU 272 HD13 0.14 -0.01 0.06 -0.04 0.93 1.08 2h1lC1 LEU 272 HD23 0.19 0.02 0.03 -0.04 0.89 1.09 2h1lC1 VAL 273 H -0.08 0.38 -0.19 -0.55 8.24 7.80 2h1lC1 VAL 273 HA -0.82 0.07 0.45 -0.75 4.13 3.08 2h1lC1 VAL 273 HB -0.30 0.10 0.12 -0.04 2.12 2.00 2h1lC1 VAL 273 HG13 -0.72 -0.01 -0.14 -0.04 0.97 0.06 2h1lC1 VAL 273 HG23 -0.68 0.03 -0.02 -0.04 0.95 0.25 2h1lC1 THR 274 H -0.05 0.56 0.01 -0.55 8.28 8.25 2h1lC1 THR 274 HA -0.07 0.02 0.39 -0.75 4.39 3.98 2h1lC1 THR 274 HB 0.03 0.14 0.13 -0.04 4.32 4.57 2h1lC1 THR 274 HG23 0.01 0.01 -0.01 -0.04 1.22 1.19 2h1lC1 GLU 275 H 0.02 0.44 -0.39 -0.55 8.60 8.12 2h1lC1 GLU 275 HA 0.03 -0.00 0.36 -0.75 4.29 3.93 2h1lC1 GLU 275 HB2 0.09 0.02 0.11 -0.04 2.09 2.27 2h1lC1 GLU 275 HB3 0.18 0.21 0.14 -0.04 1.99 2.48 2h1lC1 GLU 275 HG2 0.21 0.02 -0.10 -0.04 2.34 2.42 2h1lC1 GLU 275 HG3 0.10 -0.04 0.07 -0.04 2.34 2.43 2h1lC1 TYR 276 H -0.05 0.38 -0.25 -0.55 8.29 7.82 2h1lC1 TYR 276 HA -0.15 0.04 0.44 -0.75 4.56 4.13 2h1lC1 TYR 276 HB2 -0.57 0.00 0.13 -0.04 3.06 2.58 2h1lC1 TYR 276 HB3 -0.44 0.09 0.21 -0.04 2.98 2.80 2h1lC1 TYR 276 HD2 -0.34 -0.02 -0.04 -0.04 7.15 6.71 2h1lC1 TYR 276 HE2 -0.23 0.01 -0.06 -0.04 6.85 6.53 2h1lC1 ALA 277 H -0.16 0.56 -0.04 -0.55 8.40 8.22 2h1lC1 ALA 277 HA -0.34 -0.05 0.31 -0.75 4.34 3.50 2h1lC1 ALA 277 HB3 -0.14 0.06 0.07 -0.04 1.41 1.37 2h1lC1 MET 278 H -0.10 0.40 -0.39 -0.55 8.47 7.83 2h1lC1 MET 278 HA -0.07 0.06 0.60 -0.75 4.52 4.36 2h1lC1 MET 278 HB2 -0.02 0.10 0.21 -0.04 2.15 2.41 2h1lC1 MET 278 HB3 -0.01 -0.02 0.03 -0.04 2.03 1.99 2h1lC1 MET 278 HG2 -0.04 0.13 0.05 -0.04 2.63 2.73 2h1lC1 MET 278 HG3 -0.01 -0.07 -0.05 -0.04 2.56 2.39 2h1lC1 MET 278 HE3 0.00 -0.01 -0.07 -0.04 2.10 1.98 2h1lC1 GLU 279 H -0.06 0.67 0.12 -0.55 8.60 8.79 2h1lC1 GLU 279 HA 0.02 0.01 0.29 -0.75 4.29 3.85 2h1lC1 GLU 279 HB2 -0.03 0.06 0.14 -0.04 2.09 2.23 2h1lC1 GLU 279 HB3 0.28 -0.05 0.17 -0.04 1.99 2.34 2h1lC1 GLU 279 HG2 0.11 -0.04 0.07 -0.04 2.34 2.43 2h1lC1 GLU 279 HG3 0.10 0.13 0.14 -0.04 2.34 2.68 2h1lC1 THR 280 H -0.22 -0.03 -1.25 -0.55 8.28 6.23 2h1lC1 THR 280 HA -0.11 0.13 0.83 -0.75 4.39 4.48 2h1lC1 THR 280 HB -0.27 -0.10 0.04 -0.04 4.32 3.96 2h1lC1 THR 280 HG23 -0.55 -0.02 -0.17 -0.04 1.22 0.44 2h1lC1 LYS 281 H -0.13 0.31 0.08 -0.55 8.42 8.13 2h1lC1 LYS 281 HA -0.08 0.02 0.47 -0.75 4.32 3.98 2h1lC1 LYS 281 HB2 -0.05 0.09 0.04 -0.04 1.87 1.90 2h1lC1 LYS 281 HB3 -0.04 -0.03 0.20 -0.04 1.79 1.87 2h1lC1 LYS 281 HG2 -0.03 0.00 0.08 -0.04 1.46 1.47 2h1lC1 LYS 281 HG3 -0.04 0.01 -0.15 -0.04 1.46 1.25 2h1lC1 LYS 281 HD2 -0.02 -0.01 -0.05 -0.04 1.69 1.57 2h1lC1 LYS 281 HD3 -0.02 0.01 0.01 -0.04 1.68 1.64 2h1lC1 LYS 281 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.88 2h1lC1 LYS 281 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.90 2h1lC1 CYS 282 H -0.17 0.60 0.09 -0.55 8.50 8.47 2h1lC1 CYS 282 HA -0.09 0.05 0.64 -0.75 4.58 4.42 2h1lC1 CYS 282 HB2 -0.23 0.06 -0.04 -0.04 2.97 2.72 2h1lC1 CYS 282 HB3 -0.19 -0.04 0.12 -0.04 2.97 2.82 2h1lC1 ASP 283 H -0.05 0.17 0.20 -0.55 8.40 8.16 2h1lC1 ASP 283 HA -0.04 0.20 0.71 -0.75 4.63 4.74 2h1lC1 ASP 283 HB2 -0.02 -0.02 0.05 -0.04 2.71 2.67 2h1lC1 ASP 283 HB3 -0.03 0.12 -0.06 -0.04 2.70 2.69 2h1lC1 ASP 284 H -0.04 0.07 -0.04 -0.55 8.40 7.83 2h1lC1 ASP 284 HA -0.02 0.18 0.76 -0.75 4.63 4.79 2h1lC1 ASP 284 HB2 -0.02 0.13 0.08 -0.04 2.71 2.85 2h1lC1 ASP 284 HB3 -0.03 -0.06 0.13 -0.04 2.70 2.70 2h1lC1 VAL 285 H -0.01 0.27 0.12 -0.55 8.24 8.07 2h1lC1 VAL 285 HA -0.03 0.18 0.26 -0.75 4.13 3.79 2h1lC1 VAL 285 HB -0.01 -0.09 0.10 -0.04 2.12 2.09 2h1lC1 VAL 285 HG13 -0.01 0.00 -0.23 -0.04 0.97 0.68 2h1lC1 VAL 285 HG23 -0.01 0.05 0.05 -0.04 0.95 1.01 2h1lC1 LEU 286 H -0.01 0.15 -0.07 -0.55 8.37 7.89 2h1lC1 LEU 286 HA -0.00 0.08 0.40 -0.75 4.35 4.06 2h1lC1 LEU 286 HB2 -0.01 -0.02 0.05 -0.04 1.64 1.63 2h1lC1 LEU 286 HB3 -0.01 0.06 -0.05 -0.04 1.64 1.61 2h1lC1 LEU 286 HG -0.00 -0.04 0.04 -0.04 1.64 1.59 2h1lC1 LEU 286 HD13 -0.00 0.02 -0.01 -0.04 0.93 0.90 2h1lC1 LEU 286 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.84 2h1lC1 LEU 287 H -0.02 0.06 -0.30 -0.55 8.37 7.56 2h1lC1 LEU 287 HA -0.02 0.05 0.32 -0.75 4.35 3.94 2h1lC1 LEU 287 HB2 -0.02 0.01 0.07 -0.04 1.64 1.66 2h1lC1 LEU 287 HB3 -0.03 0.02 0.08 -0.04 1.64 1.66 2h1lC1 LEU 287 HG -0.04 0.04 -0.28 -0.04 1.64 1.32 2h1lC1 LEU 287 HD13 -0.02 -0.01 0.05 -0.04 0.93 0.91 2h1lC1 LEU 287 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.82 2h1lC1 LEU 288 H -0.03 0.44 -0.51 -0.55 8.37 7.72 2h1lC1 LEU 288 HA -0.03 0.06 0.46 -0.75 4.35 4.08 2h1lC1 LEU 288 HB2 -0.08 0.04 -0.01 -0.04 1.64 1.55 2h1lC1 LEU 288 HB3 -0.05 0.20 0.16 -0.04 1.64 1.91 2h1lC1 LEU 288 HG -0.14 -0.07 -0.28 -0.04 1.64 1.11 2h1lC1 LEU 288 HD13 -0.09 -0.01 -0.03 -0.04 0.93 0.76 2h1lC1 LEU 288 HD23 -0.14 -0.00 -0.04 -0.04 0.89 0.67 2h1lC1 LEU 289 H -0.01 0.51 0.01 -0.55 8.37 8.34 2h1lC1 LEU 289 HA 0.10 -0.02 0.32 -0.75 4.35 4.00 2h1lC1 LEU 289 HB2 0.04 -0.00 0.08 -0.04 1.64 1.71 2h1lC1 LEU 289 HB3 0.02 0.11 0.09 -0.04 1.64 1.82 2h1lC1 LEU 289 HG 0.06 0.03 -0.10 -0.04 1.64 1.59 2h1lC1 LEU 289 HD13 0.23 -0.01 -0.05 -0.04 0.93 1.07 2h1lC1 LEU 289 HD23 0.00 -0.02 -0.08 -0.04 0.89 0.75 2h1lC1 GLY 290 H -0.01 0.39 -0.51 -0.55 8.43 7.75 2h1lC1 GLY 290 HA2 -0.03 0.07 0.50 -0.51 4.01 4.03 2h1lC1 GLY 290 HA3 -0.03 0.04 0.23 -0.51 4.01 3.74 2h1lC1 MET 291 H -0.04 0.47 -0.06 -0.55 8.47 8.30 2h1lC1 MET 291 HA -0.19 0.03 0.45 -0.75 4.52 4.06 2h1lC1 MET 291 HB2 0.12 0.07 0.19 -0.04 2.15 2.49 2h1lC1 MET 291 HB3 0.12 0.01 -0.01 -0.04 2.03 2.11 2h1lC1 MET 291 HG2 -0.01 0.23 0.11 -0.04 2.63 2.92 2h1lC1 MET 291 HG3 0.03 -0.00 -0.01 -0.04 2.56 2.53 2h1lC1 MET 291 HE3 0.11 -0.01 -0.14 -0.04 2.10 2.03 2h1lC1 TYR 292 H -0.03 0.62 -0.10 -0.55 8.29 8.23 2h1lC1 TYR 292 HA -0.80 0.07 0.37 -0.75 4.56 3.44 2h1lC1 TYR 292 HB2 -0.26 0.10 0.06 -0.04 3.06 2.91 2h1lC1 TYR 292 HB3 -0.36 0.03 -0.07 -0.04 2.98 2.54 2h1lC1 TYR 292 HD2 -1.02 0.02 -0.07 -0.04 7.15 6.05 2h1lC1 TYR 292 HE2 -0.59 -0.00 -0.08 -0.04 6.85 6.13 2h1lC1 LEU 293 H -0.11 0.28 -0.56 -0.55 8.37 7.44 2h1lC1 LEU 293 HA -0.06 0.07 0.43 -0.75 4.35 4.03 2h1lC1 LEU 293 HB2 -0.08 0.15 0.14 -0.04 1.64 1.81 2h1lC1 LEU 293 HB3 -0.13 -0.06 -0.01 -0.04 1.64 1.40 2h1lC1 LEU 293 HG 0.11 0.24 0.10 -0.04 1.64 2.04 2h1lC1 LEU 293 HD13 -0.03 -0.03 -0.01 -0.04 0.93 0.82 2h1lC1 LEU 293 HD23 0.04 -0.02 -0.02 -0.04 0.89 0.86 2h1lC1 GLU 294 H -0.37 0.38 -0.37 -0.55 8.60 7.70 2h1lC1 GLU 294 HA -0.29 0.03 0.48 -0.75 4.29 3.76 2h1lC1 GLU 294 HB2 -0.44 0.19 0.08 -0.04 2.09 1.88 2h1lC1 GLU 294 HB3 -0.27 -0.11 0.08 -0.04 1.99 1.65 2h1lC1 GLU 294 HG2 -0.15 -0.07 0.03 -0.04 2.34 2.12 2h1lC1 GLU 294 HG3 -0.22 0.36 0.14 -0.04 2.34 2.58 2h1lC1 PHE 295 H -0.48 0.31 -0.56 -0.55 8.34 7.05 2h1lC1 PHE 295 HA -1.14 0.05 0.47 -0.75 4.62 3.24 2h1lC1 PHE 295 HB2 -0.57 0.18 0.01 -0.04 3.15 2.73 2h1lC1 PHE 295 HB3 -0.33 -0.04 -0.03 -0.04 3.06 2.62 2h1lC1 PHE 295 HD2 -0.51 -0.02 -0.14 -0.04 7.28 6.57 2h1lC1 PHE 295 HE2 -0.63 -0.03 -0.02 -0.04 7.38 6.65 2h1lC1 PHE 295 HZ 0.06 0.19 0.08 -0.04 7.32 7.61 2h1lC1 GLN 296 H -0.22 0.23 -0.90 -0.55 8.47 7.03 2h1lC1 GLN 296 HA 0.05 0.02 0.42 -0.75 4.36 4.09 2h1lC1 GLN 296 HB2 -0.10 -0.06 0.01 -0.04 2.15 1.96 2h1lC1 GLN 296 HB3 -0.34 0.51 0.18 -0.04 2.02 2.32 2h1lC1 GLN 296 HG2 -0.19 -0.05 -0.39 -0.04 2.40 1.73 2h1lC1 GLN 296 HG3 0.01 -0.04 -0.07 -0.04 2.39 2.25 2h1lC1 GLN 296 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.87 2h1lC1 GLN 296 HE22 -0.26 -0.05 -0.05 -0.04 7.69 7.29 2h1lC1 TYR 297 H -0.04 0.17 -0.14 -0.55 8.29 7.73 2h1lC1 TYR 297 HA 0.19 0.07 0.47 -0.75 4.56 4.54 2h1lC1 TYR 297 HB2 0.22 0.08 0.04 -0.04 3.06 3.36 2h1lC1 TYR 297 HB3 0.12 -0.10 0.11 -0.04 2.98 3.06 2h1lC1 TYR 297 HD2 0.08 0.01 -0.02 -0.04 7.15 7.19 2h1lC1 TYR 297 HE2 0.02 -0.01 -0.01 -0.04 6.85 6.82 2h1lC1 SER 298 H 0.22 0.07 0.11 -0.55 8.46 8.31 2h1lC1 SER 298 HA -0.19 0.12 0.41 -0.75 4.49 4.07 2h1lC1 SER 298 HB2 0.09 0.10 0.12 -0.04 3.95 4.22 2h1lC1 SER 298 HB3 0.01 -0.02 0.07 -0.04 3.93 3.95 2h1lC1 PHE 299 H -0.61 0.16 0.18 -0.55 8.34 7.51 2h1lC1 PHE 299 HA -0.80 0.16 0.54 -0.75 4.62 3.76 2h1lC1 PHE 299 HB2 -0.72 0.10 0.07 -0.04 3.15 2.56 2h1lC1 PHE 299 HB3 -0.42 -0.04 0.19 -0.04 3.06 2.75 2h1lC1 PHE 299 HD2 -0.33 -0.01 0.00 -0.04 7.28 6.89 2h1lC1 PHE 299 HE2 -0.11 0.04 -0.00 -0.04 7.38 7.26 2h1lC1 PHE 299 HZ -0.10 0.05 -0.02 -0.04 7.32 7.21 2h1lC1 GLU 300 H -0.14 0.10 0.07 -0.55 8.60 8.09 2h1lC1 GLU 300 HA -0.50 0.11 0.33 -0.75 4.29 3.47 2h1lC1 GLU 300 HB2 -0.08 -0.01 -0.01 -0.04 2.09 1.94 2h1lC1 GLU 300 HB3 -0.11 0.06 0.08 -0.04 1.99 1.97 2h1lC1 GLU 300 HG2 0.01 0.06 0.04 -0.04 2.34 2.40 2h1lC1 GLU 300 HG3 0.02 0.03 0.06 -0.04 2.34 2.41 2h1lC1 MET 301 H -0.17 -0.07 -0.83 -0.55 8.47 6.85 2h1lC1 MET 301 HA -0.11 0.24 0.78 -0.75 4.52 4.68 2h1lC1 MET 301 HB2 -0.05 -0.07 -0.06 -0.04 2.15 1.92 2h1lC1 MET 301 HB3 -0.05 -0.01 -0.05 -0.04 2.03 1.88 2h1lC1 MET 301 HG2 -0.03 0.00 -0.03 -0.04 2.63 2.53 2h1lC1 MET 301 HG3 -0.05 0.07 -0.04 -0.04 2.56 2.49 2h1lC1 MET 301 HE3 0.01 0.00 -0.02 -0.04 2.10 2.05 2h1lC1 CYS 302 H -0.18 0.31 -0.17 -0.55 8.50 7.91 2h1lC1 CYS 302 HA 0.08 -0.06 0.38 -0.75 4.58 4.22 2h1lC1 CYS 302 HB2 0.11 0.17 0.14 -0.04 2.97 3.35 2h1lC1 CYS 302 HB3 -0.15 0.16 0.21 -0.04 2.97 3.15 2h1lC1 LEU 303 H 0.04 0.14 0.27 -0.55 8.37 8.28 2h1lC1 LEU 303 HA -0.01 0.17 0.62 -0.75 4.35 4.38 2h1lC1 LEU 303 HB2 0.01 0.02 0.10 -0.04 1.64 1.73 2h1lC1 LEU 303 HB3 -0.01 0.11 0.16 -0.04 1.64 1.86 2h1lC1 LEU 303 HG 0.05 -0.03 -0.08 -0.04 1.64 1.54 2h1lC1 LEU 303 HD13 0.01 0.01 -0.01 -0.04 0.93 0.90 2h1lC1 LEU 303 HD23 0.02 -0.02 0.11 -0.04 0.89 0.96 2h1lC1 LYS 304 H 0.14 0.09 -0.06 -0.55 8.42 8.04 2h1lC1 LYS 304 HA 0.13 0.15 0.36 -0.75 4.32 4.20 2h1lC1 LYS 304 HB2 0.28 0.04 0.01 -0.04 1.87 2.16 2h1lC1 LYS 304 HB3 0.17 0.01 0.14 -0.04 1.79 2.06 2h1lC1 LYS 304 HG2 0.06 0.06 0.01 -0.04 1.46 1.55 2h1lC1 LYS 304 HG3 0.08 -0.11 0.05 -0.04 1.46 1.44 2h1lC1 LYS 304 HD2 0.05 0.03 0.03 -0.04 1.69 1.76 2h1lC1 LYS 304 HD3 0.06 0.01 0.03 -0.04 1.68 1.74 2h1lC1 LYS 304 HE2 -0.14 0.04 0.01 -0.04 2.99 2.86 2h1lC1 LYS 304 HE3 -0.20 -0.03 0.01 -0.04 2.99 2.73 2h1lC1 CYS 305 H 0.09 0.18 -0.94 -0.55 8.50 7.29 2h1lC1 CYS 305 HA 0.20 0.12 0.86 -0.75 4.58 5.00 2h1lC1 CYS 305 HB2 -0.08 0.21 0.08 -0.04 2.97 3.14 2h1lC1 CYS 305 HB3 -0.02 0.05 0.02 -0.04 2.97 2.97 2h1lC1 ILE 306 H -0.05 0.34 0.06 -0.55 8.25 8.05 2h1lC1 ILE 306 HA -0.10 0.07 0.38 -0.75 4.18 3.78 2h1lC1 ILE 306 HB -0.11 0.04 0.11 -0.04 1.89 1.89 2h1lC1 ILE 306 HG12 -0.05 0.03 -0.08 -0.04 1.49 1.35 2h1lC1 ILE 306 HG13 -0.07 -0.01 0.10 -0.04 1.21 1.18 2h1lC1 ILE 306 HG23 -0.04 0.02 0.08 -0.04 0.93 0.96 2h1lC1 ILE 306 HD13 -0.06 -0.01 0.01 -0.04 0.88 0.78 2h1lC1 LYS 307 H 0.02 0.04 -0.52 -0.55 8.42 7.41 2h1lC1 LYS 307 HA -0.00 0.13 0.56 -0.75 4.32 4.26 2h1lC1 LYS 307 HB2 0.03 0.23 0.08 -0.04 1.87 2.17 2h1lC1 LYS 307 HB3 0.06 -0.09 -0.20 -0.04 1.79 1.52 2h1lC1 LYS 307 HG2 0.03 -0.05 -0.07 -0.04 1.46 1.32 2h1lC1 LYS 307 HG3 0.02 0.06 0.02 -0.04 1.46 1.52 2h1lC1 LYS 307 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.60 2h1lC1 LYS 307 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.59 2h1lC1 LYS 307 HE2 -0.01 -0.01 -0.21 -0.04 2.99 2.72 2h1lC1 LYS 307 HE3 -0.01 -0.05 -0.05 -0.04 2.99 2.85 2h1lC1 LYS 308 H 0.05 -0.05 -0.51 -0.55 8.42 7.35 2h1lC1 LYS 308 HA 0.15 -0.09 0.34 -0.75 4.32 3.97 2h1lC1 LYS 308 HB2 -0.01 0.18 0.10 -0.04 1.87 2.10 2h1lC1 LYS 308 HB3 -0.07 -0.05 0.03 -0.04 1.79 1.66 2h1lC1 LYS 308 HG2 -0.13 0.05 -0.49 -0.04 1.46 0.85 2h1lC1 LYS 308 HG3 -0.13 -0.04 -0.16 -0.04 1.46 1.09 2h1lC1 LYS 308 HD2 -0.61 -0.09 -0.03 -0.04 1.69 0.93 2h1lC1 LYS 308 HD3 -0.74 -0.01 0.06 -0.04 1.68 0.95 2h1lC1 LYS 308 HE2 -0.21 0.06 -0.05 -0.04 2.99 2.75 2h1lC1 LYS 308 HE3 -0.20 -0.04 -0.04 -0.04 2.99 2.66 2h1lC1 GLU 309 H 0.29 -0.08 0.14 -0.55 8.60 8.41 2h1lC1 GLU 309 HA 0.12 0.31 0.89 -0.75 4.29 4.86 2h1lC1 GLU 309 HB2 0.12 -0.08 -0.00 -0.04 2.09 2.09 2h1lC1 GLU 309 HB3 0.08 -0.01 0.01 -0.04 1.99 2.03 2h1lC1 GLU 309 HG2 0.06 0.08 -0.11 -0.04 2.34 2.34 2h1lC1 GLU 309 HG3 0.08 0.01 -0.67 -0.04 2.34 1.73 2h1lC1 GLN 310 H 0.27 -0.01 0.18 -0.55 8.47 8.36 2h1lC1 GLN 310 HA 0.06 0.34 0.96 -0.75 4.36 4.96 2h1lC1 GLN 310 HB2 0.17 -0.03 0.17 -0.04 2.15 2.42 2h1lC1 GLN 310 HB3 0.10 -0.06 0.03 -0.04 2.02 2.04 2h1lC1 GLN 310 HG2 0.08 -0.02 -0.33 -0.04 2.40 2.08 2h1lC1 GLN 310 HG3 0.06 -0.01 -0.03 -0.04 2.39 2.37 2h1lC1 GLN 310 HE21 0.03 0.01 0.04 -0.04 6.97 7.02 2h1lC1 GLN 310 HE22 0.04 -0.03 -0.04 -0.04 7.69 7.63 2h1lC1 PRO 311 HA -1.33 0.06 0.44 -0.51 4.44 3.10 2h1lC1 PRO 311 HB2 -0.03 0.04 0.08 -0.04 2.28 2.33 2h1lC1 PRO 311 HB3 -0.06 0.07 0.06 -0.04 2.02 2.04 2h1lC1 PRO 311 HG2 0.03 0.10 0.04 -0.04 2.03 2.15 2h1lC1 PRO 311 HG3 0.08 0.09 -0.01 -0.04 2.03 2.14 2h1lC1 PRO 311 HD2 -0.00 0.10 0.21 -0.04 3.68 3.94 2h1lC1 PRO 311 HD3 0.04 0.33 0.01 -0.04 3.65 3.99 2h1lC1 SER 312 H 0.01 0.18 -0.10 -0.55 8.46 8.01 2h1lC1 SER 312 HA 0.34 0.13 0.27 -0.75 4.49 4.48 2h1lC1 SER 312 HB2 0.13 0.02 0.00 -0.04 3.95 4.06 2h1lC1 SER 312 HB3 0.05 0.09 0.09 -0.04 3.93 4.12 2h1lC1 HIS 313 H 0.10 0.25 -0.84 -0.55 8.41 7.39 2h1lC1 HIS 313 HA 0.56 0.23 0.91 -0.75 4.63 5.57 2h1lC1 HIS 313 HB2 0.17 -0.00 -0.01 -0.04 3.26 3.37 2h1lC1 HIS 313 HB3 0.16 0.11 0.17 -0.04 3.20 3.59 2h1lC1 HIS 313 HD2 0.26 0.11 -0.14 -0.04 6.97 7.16 2h1lC1 HIS 313 HE1 0.50 0.12 -0.20 -0.04 7.75 8.13 2h1lC1 TYR 314 H -0.06 0.42 0.21 -0.55 8.29 8.31 2h1lC1 TYR 314 HA -0.19 -0.01 0.48 -0.75 4.56 4.09 2h1lC1 TYR 314 HB2 0.01 0.00 0.15 -0.04 3.06 3.18 2h1lC1 TYR 314 HB3 0.03 -0.00 0.20 -0.04 2.98 3.17 2h1lC1 TYR 314 HD2 0.05 -0.02 -0.21 -0.04 7.15 6.94 2h1lC1 TYR 314 HE2 0.04 -0.01 -0.16 -0.04 6.85 6.68 2h1lC1 LYS 315 H -0.10 0.45 -0.25 -0.55 8.42 7.95 2h1lC1 LYS 315 HA -0.02 0.11 0.58 -0.75 4.32 4.24 2h1lC1 LYS 315 HB2 -0.21 0.04 0.10 -0.04 1.87 1.77 2h1lC1 LYS 315 HB3 -0.92 0.07 -0.05 -0.04 1.79 0.84 2h1lC1 LYS 315 HG2 -0.48 -0.02 0.11 -0.04 1.46 1.04 2h1lC1 LYS 315 HG3 -0.09 -0.03 0.06 -0.04 1.46 1.36 2h1lC1 LYS 315 HD2 -0.26 0.06 -0.03 -0.04 1.69 1.42 2h1lC1 LYS 315 HD3 -0.09 -0.02 0.01 -0.04 1.68 1.53 2h1lC1 LYS 315 HE2 0.05 -0.03 -0.01 -0.04 2.99 2.96 2h1lC1 LYS 315 HE3 -0.06 0.02 -0.04 -0.04 2.99 2.87 2h1lC1 TYR 316 H 0.06 0.23 -0.32 -0.55 8.29 7.71 2h1lC1 TYR 316 HA -0.09 0.17 0.87 -0.75 4.56 4.76 2h1lC1 TYR 316 HB2 -0.10 0.07 -0.07 -0.04 3.06 2.93 2h1lC1 TYR 316 HB3 0.26 -0.06 0.08 -0.04 2.98 3.22 2h1lC1 TYR 316 HD2 0.28 0.03 -0.15 -0.04 7.15 7.26 2h1lC1 TYR 316 HE2 0.12 -0.03 -0.08 -0.04 6.85 6.82 2h1lC1 HIS 317 H -0.20 0.25 0.07 -0.55 8.41 7.99 2h1lC1 HIS 317 HA -1.27 0.08 0.33 -0.75 4.63 3.02 2h1lC1 HIS 317 HB2 -0.26 0.15 0.07 -0.04 3.26 3.18 2h1lC1 HIS 317 HB3 -0.05 -0.11 0.14 -0.04 3.20 3.14 2h1lC1 HIS 317 HD2 0.01 -0.11 -0.34 -0.04 6.97 6.49 2h1lC1 HIS 317 HE1 0.28 -0.03 -0.17 -0.04 7.75 7.78 2h1lC1 GLU 318 H -0.27 0.19 -0.06 -0.55 8.60 7.92 2h1lC1 GLU 318 HA -0.65 0.01 0.34 -0.75 4.29 3.24 2h1lC1 GLU 318 HB2 -1.84 0.03 0.09 -0.04 2.09 0.33 2h1lC1 GLU 318 HB3 -0.56 0.01 0.01 -0.04 1.99 1.41 2h1lC1 GLU 318 HG2 -0.52 0.02 -0.09 -0.04 2.34 1.71 2h1lC1 GLU 318 HG3 -1.60 -0.05 0.02 -0.04 2.34 0.68 2h1lC1 LYS 319 H -0.25 0.06 -0.48 -0.55 8.42 7.20 2h1lC1 LYS 319 HA -0.18 0.03 0.40 -0.75 4.32 3.81 2h1lC1 LYS 319 HB2 -0.19 -0.01 0.08 -0.04 1.87 1.71 2h1lC1 LYS 319 HB3 -0.26 0.13 0.15 -0.04 1.79 1.77 2h1lC1 LYS 319 HG2 -0.51 -0.02 -0.17 -0.04 1.46 0.72 2h1lC1 LYS 319 HG3 -0.19 -0.04 0.04 -0.04 1.46 1.22 2h1lC1 LYS 319 HD2 -0.10 0.01 0.03 -0.04 1.69 1.59 2h1lC1 LYS 319 HD3 -0.11 0.04 0.03 -0.04 1.68 1.60 2h1lC1 LYS 319 HE2 -0.15 -0.04 -0.02 -0.04 2.99 2.74 2h1lC1 LYS 319 HE3 -0.06 -0.02 0.00 -0.04 2.99 2.87 2h1lC1 HIS 320 H -0.22 0.88 0.09 -0.55 8.41 8.61 2h1lC1 HIS 320 HA -0.01 -0.02 0.65 -0.75 4.63 4.49 2h1lC1 HIS 320 HB2 -0.44 0.14 0.06 -0.04 3.26 2.99 2h1lC1 HIS 320 HB3 -0.08 -0.13 0.12 -0.04 3.20 3.07 2h1lC1 HIS 320 HD2 0.17 -0.14 -0.01 -0.04 6.97 6.95 2h1lC1 HIS 320 HE1 0.21 0.01 -0.05 -0.04 7.75 7.88 2h1lC1 TYR 321 H 0.08 0.57 -0.28 -0.55 8.29 8.11 2h1lC1 TYR 321 HA 0.06 0.29 0.45 -0.75 4.56 4.60 2h1lC1 TYR 321 HB2 0.23 -0.03 -0.04 -0.04 3.06 3.18 2h1lC1 TYR 321 HB3 -0.02 0.09 0.12 -0.04 2.98 3.13 2h1lC1 TYR 321 HD2 0.14 0.19 0.02 -0.04 7.15 7.45 2h1lC1 TYR 321 HE2 0.14 0.07 -0.19 -0.04 6.85 6.83 2h1lC1 ALA 322 H -0.01 0.24 -0.29 -0.55 8.40 7.80 2h1lC1 ALA 322 HA -0.23 0.08 0.45 -0.75 4.34 3.88 2h1lC1 ALA 322 HB3 -0.04 0.00 0.09 -0.04 1.41 1.42 2h1lC1 ASN 323 H 0.04 0.16 -0.03 -0.55 8.53 8.14 2h1lC1 ASN 323 HA 0.07 0.04 0.42 -0.75 4.76 4.54 2h1lC1 ASN 323 HB2 0.15 0.01 0.15 -0.04 2.88 3.16 2h1lC1 ASN 323 HB3 0.22 0.11 0.08 -0.04 2.79 3.17 2h1lC1 ASN 323 HD21 0.16 0.02 0.08 -0.04 7.03 7.25 2h1lC1 ASN 323 HD22 0.33 0.07 -0.05 -0.04 7.74 8.05 2h1lC1 ALA 324 H -0.09 0.71 -0.13 -0.55 8.40 8.35 2h1lC1 ALA 324 HA -0.23 -0.08 0.28 -0.75 4.34 3.55 2h1lC1 ALA 324 HB3 -0.16 0.06 -0.18 -0.04 1.41 1.09 2h1lC1 ALA 325 H -0.06 0.46 -0.18 -0.55 8.40 8.07 2h1lC1 ALA 325 HA 0.00 0.02 0.39 -0.75 4.34 4.00 2h1lC1 ALA 325 HB3 -0.08 0.05 0.11 -0.04 1.41 1.45 2h1lC1 ILE 326 H 0.02 0.28 -0.27 -0.55 8.25 7.73 2h1lC1 ILE 326 HA 0.03 0.08 0.34 -0.75 4.18 3.87 2h1lC1 ILE 326 HB 0.10 -0.12 -0.05 -0.04 1.89 1.79 2h1lC1 ILE 326 HG12 0.03 0.13 0.20 -0.04 1.49 1.81 2h1lC1 ILE 326 HG13 0.05 -0.06 0.01 -0.04 1.21 1.16 2h1lC1 ILE 326 HG23 0.06 0.08 -0.28 -0.04 0.93 0.74 2h1lC1 ILE 326 HD13 -0.00 -0.03 -0.05 -0.04 0.88 0.77 2h1lC1 PHE 327 H 0.19 0.60 -0.13 -0.55 8.34 8.45 2h1lC1 PHE 327 HA -0.01 -0.12 0.39 -0.75 4.62 4.13 2h1lC1 PHE 327 HB2 0.12 -0.07 0.01 -0.04 3.15 3.17 2h1lC1 PHE 327 HB3 -0.02 0.24 0.16 -0.04 3.06 3.40 2h1lC1 PHE 327 HD2 -0.03 0.03 -0.11 -0.04 7.28 7.13 2h1lC1 PHE 327 HE2 -0.11 -0.00 -0.02 -0.04 7.38 7.21 2h1lC1 PHE 327 HZ -0.08 -0.00 -0.01 -0.04 7.32 7.18 2h1lC1 ALA 328 H 0.07 0.79 -0.06 -0.55 8.40 8.65 2h1lC1 ALA 328 HA -0.18 -0.05 0.37 -0.75 4.34 3.73 2h1lC1 ALA 328 HB3 -0.02 0.02 0.11 -0.04 1.41 1.48 2h1lC1 ASP 329 H -0.08 0.29 -1.08 -0.55 8.40 6.98 2h1lC1 ASP 329 HA -0.06 0.14 0.91 -0.75 4.63 4.87 2h1lC1 ASP 329 HB2 -0.01 0.18 0.04 -0.04 2.71 2.88 2h1lC1 ASP 329 HB3 -0.02 -0.10 0.19 -0.04 2.70 2.73 2h1lC1 SER 330 H -0.22 0.55 0.13 -0.55 8.46 8.37 2h1lC1 SER 330 HA -0.05 0.17 0.89 -0.75 4.49 4.75 2h1lC1 SER 330 HB2 -0.10 0.13 0.14 -0.04 3.95 4.09 2h1lC1 SER 330 HB3 -0.28 -0.10 0.07 -0.04 3.93 3.59 2h1lC1 LYS 331 H -0.03 0.18 0.15 -0.55 8.42 8.16 2h1lC1 LYS 331 HA -0.07 0.21 0.60 -0.75 4.32 4.31 2h1lC1 LYS 331 HB2 -0.00 -0.02 0.08 -0.04 1.87 1.89 2h1lC1 LYS 331 HB3 -0.02 0.02 0.18 -0.04 1.79 1.93 2h1lC1 LYS 331 HG2 -0.02 0.07 -0.03 -0.04 1.46 1.44 2h1lC1 LYS 331 HG3 -0.01 0.01 0.10 -0.04 1.46 1.52 2h1lC1 LYS 331 HD2 0.01 -0.03 0.04 -0.04 1.69 1.67 2h1lC1 LYS 331 HD3 -0.00 -0.00 0.04 -0.04 1.68 1.67 2h1lC1 LYS 331 HE2 0.01 0.01 0.04 -0.04 2.99 3.01 2h1lC1 LYS 331 HE3 0.00 -0.01 0.02 -0.04 2.99 2.96 2h1lC1 ASN 332 H -0.11 0.10 -0.46 -0.55 8.53 7.51 2h1lC1 ASN 332 HA -0.06 0.17 0.64 -0.75 4.76 4.75 2h1lC1 ASN 332 HB2 -0.00 -0.14 0.20 -0.04 2.88 2.90 2h1lC1 ASN 332 HB3 0.02 0.18 -0.03 -0.04 2.79 2.92 2h1lC1 ASN 332 HD21 0.19 0.04 -0.03 -0.04 7.03 7.19 2h1lC1 ASN 332 HD22 0.13 0.06 -0.03 -0.04 7.74 7.85 2h1lC1 GLN 333 H -0.21 0.37 -0.05 -0.55 8.47 8.04 2h1lC1 GLN 333 HA -0.29 0.06 0.35 -0.75 4.36 3.72 2h1lC1 GLN 333 HB2 -0.19 -0.02 0.04 -0.04 2.15 1.94 2h1lC1 GLN 333 HB3 -0.27 0.02 0.01 -0.04 2.02 1.74 2h1lC1 GLN 333 HG2 -1.20 0.12 0.06 -0.04 2.40 1.35 2h1lC1 GLN 333 HG3 -0.40 0.09 0.09 -0.04 2.39 2.13 2h1lC1 GLN 333 HE21 -0.19 0.00 0.00 -0.04 6.97 6.74 2h1lC1 GLN 333 HE22 -0.37 0.11 0.02 -0.04 7.69 7.41 2h1lC1 LYS 334 H -0.08 0.11 -0.35 -0.55 8.42 7.54 2h1lC1 LYS 334 HA -0.02 0.07 0.27 -0.75 4.32 3.89 2h1lC1 LYS 334 HB2 -0.03 0.03 0.04 -0.04 1.87 1.87 2h1lC1 LYS 334 HB3 -0.02 0.01 -0.00 -0.04 1.79 1.74 2h1lC1 LYS 334 HG2 -0.00 0.00 -0.11 -0.04 1.46 1.31 2h1lC1 LYS 334 HG3 -0.01 -0.02 -0.03 -0.04 1.46 1.36 2h1lC1 LYS 334 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 2h1lC1 LYS 334 HD3 -0.00 0.03 -0.04 -0.04 1.68 1.63 2h1lC1 LYS 334 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2h1lC1 LYS 334 HE3 -0.00 -0.04 -0.04 -0.04 2.99 2.87 2h1lC1 THR 335 H -0.06 0.14 -0.16 -0.55 8.28 7.66 2h1lC1 THR 335 HA 0.02 0.05 0.34 -0.75 4.39 4.05 2h1lC1 THR 335 HB -0.09 0.04 0.11 -0.04 4.32 4.34 2h1lC1 THR 335 HG23 0.33 0.00 -0.02 -0.04 1.22 1.49 2h1lC1 ILE 336 H -0.47 0.37 -0.18 -0.55 8.25 7.42 2h1lC1 ILE 336 HA -1.06 -0.01 0.36 -0.75 4.18 2.72 2h1lC1 ILE 336 HB -0.22 0.17 0.14 -0.04 1.89 1.93 2h1lC1 ILE 336 HG12 -3.41 -0.06 0.00 -0.04 1.49 -2.02 2h1lC1 ILE 336 HG13 -1.33 0.04 0.03 -0.04 1.21 -0.08 2h1lC1 ILE 336 HG23 -0.44 -0.02 -0.12 -0.04 0.93 0.31 2h1lC1 ILE 336 HD13 -0.33 -0.01 -0.08 -0.04 0.88 0.43 2h1lC1 CYS 337 H -0.10 0.63 -0.05 -0.55 8.50 8.44 2h1lC1 CYS 337 HA -0.15 -0.01 0.30 -0.75 4.58 3.97 2h1lC1 CYS 337 HB2 -0.01 0.09 0.11 -0.04 2.97 3.11 2h1lC1 CYS 337 HB3 -0.04 -0.02 0.00 -0.04 2.97 2.87 2h1lC1 GLN 338 H -0.04 0.51 -0.46 -0.55 8.47 7.93 2h1lC1 GLN 338 HA -0.00 -0.01 0.51 -0.75 4.36 4.10 2h1lC1 GLN 338 HB2 0.02 0.16 0.24 -0.04 2.15 2.52 2h1lC1 GLN 338 HB3 0.05 -0.03 0.00 -0.04 2.02 2.00 2h1lC1 GLN 338 HG2 0.00 -0.04 -0.02 -0.04 2.40 2.30 2h1lC1 GLN 338 HG3 0.02 -0.03 -0.04 -0.04 2.39 2.29 2h1lC1 GLN 338 HE21 0.02 0.03 0.00 -0.04 6.97 6.98 2h1lC1 GLN 338 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 2h1lC1 GLN 339 H 0.09 0.67 0.16 -0.55 8.47 8.84 2h1lC1 GLN 339 HA 0.10 0.04 0.51 -0.75 4.36 4.26 2h1lC1 GLN 339 HB2 0.32 -0.01 0.11 -0.04 2.15 2.53 2h1lC1 GLN 339 HB3 0.39 0.07 0.14 -0.04 2.02 2.58 2h1lC1 GLN 339 HG2 0.21 -0.02 -0.20 -0.04 2.40 2.36 2h1lC1 GLN 339 HG3 0.12 -0.00 0.06 -0.04 2.39 2.53 2h1lC1 GLN 339 HE21 -0.14 -0.01 -0.03 -0.04 6.97 6.76 2h1lC1 GLN 339 HE22 0.26 -0.04 -0.07 -0.04 7.69 7.79 2h1lC1 ALA 340 H -0.00 0.51 -0.32 -0.55 8.40 8.05 2h1lC1 ALA 340 HA 0.00 0.00 0.49 -0.75 4.34 4.08 2h1lC1 ALA 340 HB3 -0.11 0.02 -0.05 -0.04 1.41 1.24 2h1lC1 VAL 341 H -0.02 0.29 -0.35 -0.55 8.24 7.62 2h1lC1 VAL 341 HA -0.04 0.20 0.73 -0.75 4.13 4.26 2h1lC1 VAL 341 HB -0.02 0.03 0.19 -0.04 2.12 2.29 2h1lC1 VAL 341 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.79 2h1lC1 VAL 341 HG23 -0.05 0.04 -0.23 -0.04 0.95 0.67 2h1lC1 ASP 342 H 0.01 0.77 0.13 -0.55 8.40 8.76 2h1lC1 ASP 342 HA 0.01 0.05 0.40 -0.75 4.63 4.33 2h1lC1 ASP 342 HB2 0.04 0.03 0.18 -0.04 2.71 2.92 2h1lC1 ASP 342 HB3 0.03 -0.03 0.05 -0.04 2.70 2.71 2h1lC1 THR 343 H 0.01 0.17 -0.92 -0.55 8.28 6.98 2h1lC1 THR 343 HA 0.01 0.06 0.53 -0.75 4.39 4.24 2h1lC1 THR 343 HB -0.00 0.16 0.11 -0.04 4.32 4.55 2h1lC1 THR 343 HG23 0.00 -0.01 -0.15 -0.04 1.22 1.02 2h1lC1 VAL 344 H -0.02 0.36 -0.01 -0.55 8.24 8.02 2h1lC1 VAL 344 HA -0.02 -0.01 0.28 -0.75 4.13 3.62 2h1lC1 VAL 344 HB -0.04 0.10 -0.01 -0.04 2.12 2.13 2h1lC1 VAL 344 HG13 -0.04 -0.02 -0.18 -0.04 0.97 0.69 2h1lC1 VAL 344 HG23 -0.06 0.08 0.01 -0.04 0.95 0.94 2h1lC1 LEU 345 H -0.01 0.31 -0.79 -0.55 8.37 7.33 2h1lC1 LEU 345 HA -0.01 0.12 0.48 -0.75 4.35 4.18 2h1lC1 LEU 345 HB2 0.00 0.07 0.06 -0.04 1.64 1.73 2h1lC1 LEU 345 HB3 -0.00 -0.03 -0.05 -0.04 1.64 1.52 2h1lC1 LEU 345 HG -0.01 0.13 -0.06 -0.04 1.64 1.66 2h1lC1 LEU 345 HD13 0.00 -0.03 -0.04 -0.04 0.93 0.82 2h1lC1 LEU 345 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 2h1lC1 ALA 346 H 0.00 0.43 -0.02 -0.55 8.40 8.26 2h1lC1 ALA 346 HA 0.00 0.01 0.53 -0.75 4.34 4.13 2h1lC1 ALA 346 HB3 0.00 0.03 0.20 -0.04 1.41 1.60 2h1lC1 LYS 347 H -0.00 0.70 -0.14 -0.55 8.42 8.41 2h1lC1 LYS 347 HA 0.00 -0.03 0.37 -0.75 4.32 3.90 2h1lC1 LYS 347 HB2 -0.00 -0.04 0.02 -0.04 1.87 1.81 2h1lC1 LYS 347 HB3 -0.01 0.14 -0.00 -0.04 1.79 1.88 2h1lC1 LYS 347 HG2 -0.00 -0.02 0.03 -0.04 1.46 1.43 2h1lC1 LYS 347 HG3 -0.00 0.03 0.15 -0.04 1.46 1.59 2h1lC1 LYS 347 HD2 0.00 -0.03 0.07 -0.04 1.69 1.69 2h1lC1 LYS 347 HD3 0.00 -0.02 0.01 -0.04 1.68 1.63 2h1lC1 LYS 347 HE2 0.00 0.01 0.04 -0.04 2.99 3.00 2h1lC1 LYS 347 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 2h1lC1 LYS 348 H -0.00 0.18 -1.32 -0.55 8.42 6.72 2h1lC1 LYS 348 HA -0.00 0.13 0.91 -0.75 4.32 4.60 2h1lC1 LYS 348 HB2 -0.00 0.32 0.24 -0.04 1.87 2.38 2h1lC1 LYS 348 HB3 -0.00 0.01 0.02 -0.04 1.79 1.78 2h1lC1 LYS 348 HG2 -0.01 0.14 -0.10 -0.04 1.46 1.45 2h1lC1 LYS 348 HG3 -0.01 -0.07 0.02 -0.04 1.46 1.36 2h1lC1 LYS 348 HD2 -0.00 0.06 0.05 -0.04 1.69 1.75 2h1lC1 LYS 348 HD3 -0.00 -0.05 0.08 -0.04 1.68 1.67 2h1lC1 LYS 348 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 2h1lC1 LYS 348 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.90 2h1lC1 ARG 349 H -0.00 0.35 0.22 -0.55 8.46 8.48 2h1lC1 ARG 349 HA -0.00 0.09 0.41 -0.75 4.34 4.08 2h1lC1 ARG 349 HB2 -0.00 0.03 0.13 -0.04 1.90 2.02 2h1lC1 ARG 349 HB3 -0.00 -0.00 0.21 -0.04 1.80 1.97 2h1lC1 ARG 349 HG2 -0.00 -0.04 -0.00 -0.04 1.67 1.59 2h1lC1 ARG 349 HG3 -0.00 0.01 -0.13 -0.04 1.67 1.50 2h1lC1 ARG 349 HD2 -0.00 0.01 0.03 -0.04 3.22 3.22 2h1lC1 ARG 349 HD3 -0.00 -0.01 0.03 -0.04 3.22 3.20 2h1lC1 VAL 350 H 0.00 0.48 -0.09 -0.55 8.24 8.09 2h1lC1 VAL 350 HA 0.00 0.09 0.35 -0.75 4.13 3.82 2h1lC1 VAL 350 HB 0.00 -0.04 0.06 -0.04 2.12 2.10 2h1lC1 VAL 350 HG13 0.00 -0.01 -0.20 -0.04 0.97 0.73 2h1lC1 VAL 350 HG23 0.00 0.04 0.01 -0.04 0.95 0.96 2h1lC1 ASP 351 H 0.00 0.22 -0.26 -0.55 8.40 7.82 2h1lC1 ASP 351 HA 0.01 -0.07 0.41 -0.75 4.63 4.22 2h1lC1 ASP 351 HB2 0.00 0.21 0.11 -0.04 2.71 2.99 2h1lC1 ASP 351 HB3 0.01 -0.02 0.01 -0.04 2.70 2.66 2h1lC1 SER 352 H 0.01 0.51 -0.49 -0.55 8.46 7.93 2h1lC1 SER 352 HA 0.02 0.06 0.52 -0.75 4.49 4.33 2h1lC1 SER 352 HB2 0.00 -0.02 0.14 -0.04 3.95 4.04 2h1lC1 SER 352 HB3 0.01 0.08 0.10 -0.04 3.93 4.08 2h1lC1 LEU 353 H 0.00 0.28 -0.74 -0.55 8.37 7.37 2h1lC1 LEU 353 HA -0.00 0.13 0.81 -0.75 4.35 4.53 2h1lC1 LEU 353 HB2 -0.00 0.39 0.00 -0.04 1.64 2.00 2h1lC1 LEU 353 HB3 -0.00 -0.11 0.08 -0.04 1.64 1.57 2h1lC1 LEU 353 HG -0.01 0.06 0.10 -0.04 1.64 1.75 2h1lC1 LEU 353 HD13 -0.00 -0.03 0.00 -0.04 0.93 0.86 2h1lC1 LEU 353 HD23 -0.01 -0.03 0.13 -0.04 0.89 0.94 2h1lC1 GLN 354 H 0.01 0.01 0.17 -0.55 8.47 8.11 2h1lC1 GLN 354 HA 0.00 0.18 0.88 -0.75 4.36 4.67 2h1lC1 GLN 354 HB2 0.00 -0.07 -0.05 -0.04 2.15 1.99 2h1lC1 GLN 354 HB3 0.00 -0.08 0.08 -0.04 2.02 1.97 2h1lC1 GLN 354 HG2 0.00 0.20 -0.20 -0.04 2.40 2.36 2h1lC1 GLN 354 HG3 0.00 0.15 -0.25 -0.04 2.39 2.25 2h1lC1 GLN 354 HE21 0.00 -0.07 -0.02 -0.04 6.97 6.84 2h1lC1 GLN 354 HE22 0.00 0.07 -0.03 -0.04 7.69 7.69 2h1lC1 LEU 355 H 0.01 0.33 0.31 -0.55 8.37 8.48 2h1lC1 LEU 355 HA 0.01 0.07 0.76 -0.75 4.35 4.44 2h1lC1 LEU 355 HB2 0.01 0.22 0.14 -0.04 1.64 1.98 2h1lC1 LEU 355 HB3 0.01 -0.12 0.12 -0.04 1.64 1.61 2h1lC1 LEU 355 HG 0.01 -0.05 0.09 -0.04 1.64 1.64 2h1lC1 LEU 355 HD13 0.01 0.00 0.02 -0.04 0.93 0.91 2h1lC1 LEU 355 HD23 0.01 0.00 -0.01 -0.04 0.89 0.85 2h1lC1 THR 356 H 0.01 0.01 0.23 -0.55 8.28 7.98 2h1lC1 THR 356 HA 0.02 0.28 0.61 -0.75 4.39 4.53 2h1lC1 THR 356 HB 0.02 0.06 0.15 -0.04 4.32 4.51 2h1lC1 THR 356 HG23 0.01 0.04 0.08 -0.04 1.22 1.32 2h1lC1 ARG 357 H 0.02 0.31 0.21 -0.55 8.46 8.45 2h1lC1 ARG 357 HA 0.13 0.09 0.38 -0.75 4.34 4.19 2h1lC1 ARG 357 HB2 0.02 0.12 0.21 -0.04 1.90 2.21 2h1lC1 ARG 357 HB3 0.07 0.01 0.19 -0.04 1.80 2.02 2h1lC1 ARG 357 HG2 -0.03 -0.00 0.12 -0.04 1.67 1.72 2h1lC1 ARG 357 HG3 -0.01 -0.08 0.16 -0.04 1.67 1.70 2h1lC1 ARG 357 HD2 -0.10 -0.02 0.06 -0.04 3.22 3.12 2h1lC1 ARG 357 HD3 -0.06 0.32 0.04 -0.04 3.22 3.47 2h1lC1 GLU 358 H 0.02 -0.00 -0.48 -0.55 8.60 7.58 2h1lC1 GLU 358 HA -0.05 0.15 0.46 -0.75 4.29 4.09 2h1lC1 GLU 358 HB2 -0.02 0.08 0.05 -0.04 2.09 2.16 2h1lC1 GLU 358 HB3 -0.00 -0.08 0.07 -0.04 1.99 1.94 2h1lC1 GLU 358 HG2 -0.05 -0.03 -0.15 -0.04 2.34 2.07 2h1lC1 GLU 358 HG3 -0.03 0.06 -0.01 -0.04 2.34 2.31 2h1lC1 GLN 359 H -0.00 0.13 -0.04 -0.55 8.47 8.01 2h1lC1 GLN 359 HA -0.03 -0.01 0.44 -0.75 4.36 4.02 2h1lC1 GLN 359 HB2 0.00 0.11 0.20 -0.04 2.15 2.42 2h1lC1 GLN 359 HB3 -0.00 0.02 0.06 -0.04 2.02 2.06 2h1lC1 GLN 359 HG2 0.00 0.01 0.08 -0.04 2.40 2.45 2h1lC1 GLN 359 HG3 0.00 -0.06 0.13 -0.04 2.39 2.42 2h1lC1 GLN 359 HE21 0.01 0.06 0.07 -0.04 6.97 7.06 2h1lC1 GLN 359 HE22 0.01 -0.01 0.06 -0.04 7.69 7.70 2h1lC1 MET 360 H 0.00 0.47 -0.19 -0.55 8.47 8.21 2h1lC1 MET 360 HA -0.04 0.01 0.39 -0.75 4.52 4.12 2h1lC1 MET 360 HB2 0.08 0.09 0.16 -0.04 2.15 2.44 2h1lC1 MET 360 HB3 -0.04 0.08 0.02 -0.04 2.03 2.04 2h1lC1 MET 360 HG2 0.04 -0.01 -0.05 -0.04 2.63 2.57 2h1lC1 MET 360 HG3 0.04 -0.03 -0.11 -0.04 2.56 2.43 2h1lC1 MET 360 HE3 0.04 0.07 -0.06 -0.04 2.10 2.10 2h1lC1 LEU 361 H -0.17 0.50 -0.04 -0.55 8.37 8.11 2h1lC1 LEU 361 HA -0.52 0.09 0.38 -0.75 4.35 3.55 2h1lC1 LEU 361 HB2 -0.24 0.20 0.21 -0.04 1.64 1.77 2h1lC1 LEU 361 HB3 -0.35 0.01 0.08 -0.04 1.64 1.35 2h1lC1 LEU 361 HG -0.22 0.02 0.02 -0.04 1.64 1.42 2h1lC1 LEU 361 HD13 -0.97 -0.03 -0.07 -0.04 0.93 -0.19 2h1lC1 LEU 361 HD23 -0.40 0.00 0.07 -0.04 0.89 0.52 2h1lC1 THR 362 H -0.17 0.30 -0.64 -0.55 8.28 7.22 2h1lC1 THR 362 HA -0.18 -0.01 0.48 -0.75 4.39 3.92 2h1lC1 THR 362 HB -0.05 0.16 0.25 -0.04 4.32 4.64 2h1lC1 THR 362 HG23 0.02 -0.04 -0.15 -0.04 1.22 1.00 2h1lC1 ASN 363 H -0.05 0.84 0.25 -0.55 8.53 9.02 2h1lC1 ASN 363 HA 0.02 -0.08 0.47 -0.75 4.76 4.41 2h1lC1 ASN 363 HB2 -0.03 0.15 0.26 -0.04 2.88 3.22 2h1lC1 ASN 363 HB3 -0.00 -0.04 0.05 -0.04 2.79 2.76 2h1lC1 ASN 363 HD21 0.00 -0.08 -0.01 -0.04 7.03 6.89 2h1lC1 ASN 363 HD22 -0.01 0.04 -0.00 -0.04 7.74 7.72 2h1lC1 ARG 364 H -0.06 0.77 -0.06 -0.55 8.46 8.56 2h1lC1 ARG 364 HA 0.01 -0.04 0.38 -0.75 4.34 3.93 2h1lC1 ARG 364 HB2 -0.12 0.02 0.07 -0.04 1.90 1.83 2h1lC1 ARG 364 HB3 -0.05 0.08 0.12 -0.04 1.80 1.92 2h1lC1 ARG 364 HG2 -0.05 0.08 -0.08 -0.04 1.67 1.57 2h1lC1 ARG 364 HG3 0.11 0.01 -0.20 -0.04 1.67 1.55 2h1lC1 ARG 364 HD2 -0.01 -0.16 0.05 -0.04 3.22 3.06 2h1lC1 ARG 364 HD3 -0.05 0.06 -0.11 -0.04 3.22 3.08 2h1lC1 PHE 365 H 0.23 0.45 -0.38 -0.55 8.34 8.08 2h1lC1 PHE 365 HA -0.04 0.03 0.54 -0.75 4.62 4.40 2h1lC1 PHE 365 HB2 0.00 0.17 0.32 -0.04 3.15 3.60 2h1lC1 PHE 365 HB3 0.02 -0.16 0.04 -0.04 3.06 2.92 2h1lC1 PHE 365 HD2 0.04 -0.06 -0.03 -0.04 7.28 7.19 2h1lC1 PHE 365 HE2 0.03 0.03 -0.04 -0.04 7.38 7.36 2h1lC1 PHE 365 HZ 0.02 -0.06 -0.06 -0.04 7.32 7.17 2h1lC1 ASN 366 H 0.12 0.55 -0.07 -0.55 8.53 8.58 2h1lC1 ASN 366 HA 0.09 -0.02 0.52 -0.75 4.76 4.60 2h1lC1 ASN 366 HB2 0.05 0.23 0.31 -0.04 2.88 3.43 2h1lC1 ASN 366 HB3 0.05 -0.07 0.03 -0.04 2.79 2.77 2h1lC1 ASN 366 HD21 0.05 -0.02 -0.03 -0.04 7.03 6.99 2h1lC1 ASN 366 HD22 0.04 0.01 0.01 -0.04 7.74 7.76 2h1lC1 ASP 367 H 0.04 0.61 0.07 -0.55 8.40 8.57 2h1lC1 ASP 367 HA 0.03 -0.05 0.38 -0.75 4.63 4.24 2h1lC1 ASP 367 HB2 0.01 0.18 0.08 -0.04 2.71 2.94 2h1lC1 ASP 367 HB3 0.01 -0.04 0.08 -0.04 2.70 2.71 2h1lC1 LEU 368 H 0.01 0.27 -0.86 -0.55 8.37 7.24 2h1lC1 LEU 368 HA -0.07 0.01 0.47 -0.75 4.35 4.00 2h1lC1 LEU 368 HB2 -0.09 0.18 0.27 -0.04 1.64 1.96 2h1lC1 LEU 368 HB3 -0.23 -0.07 -0.03 -0.04 1.64 1.27 2h1lC1 LEU 368 HG -0.24 0.09 0.01 -0.04 1.64 1.46 2h1lC1 LEU 368 HD13 -0.16 -0.08 -0.12 -0.04 0.93 0.53 2h1lC1 LEU 368 HD23 -0.05 0.06 -0.06 -0.04 0.89 0.80 2h1lC1 LEU 369 H -0.02 0.51 -0.04 -0.55 8.37 8.27 2h1lC1 LEU 369 HA -0.16 0.04 0.54 -0.75 4.35 4.01 2h1lC1 LEU 369 HB2 0.06 0.12 0.23 -0.04 1.64 2.01 2h1lC1 LEU 369 HB3 0.17 -0.10 0.02 -0.04 1.64 1.68 2h1lC1 LEU 369 HG -0.10 0.22 0.06 -0.04 1.64 1.78 2h1lC1 LEU 369 HD13 0.09 -0.03 -0.05 -0.04 0.93 0.90 2h1lC1 LEU 369 HD23 -0.54 -0.02 -0.05 -0.04 0.89 0.23 2h1lC1 ASP 370 H 0.04 0.74 0.00 -0.55 8.40 8.63 2h1lC1 ASP 370 HA 0.10 0.00 0.46 -0.75 4.63 4.43 2h1lC1 ASP 370 HB2 0.04 0.13 0.17 -0.04 2.71 3.00 2h1lC1 ASP 370 HB3 0.05 -0.02 -0.01 -0.04 2.70 2.69 2h1lC1 ARG 371 H 0.00 0.52 -0.24 -0.55 8.46 8.20 2h1lC1 ARG 371 HA 0.01 -0.01 0.39 -0.75 4.34 3.98 2h1lC1 ARG 371 HB2 -0.01 0.09 0.15 -0.04 1.90 2.08 2h1lC1 ARG 371 HB3 -0.05 0.15 0.04 -0.04 1.80 1.90 2h1lC1 ARG 371 HG2 -0.07 -0.04 0.09 -0.04 1.67 1.61 2h1lC1 ARG 371 HG3 -0.02 -0.05 0.10 -0.04 1.67 1.66 2h1lC1 ARG 371 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.12 2h1lC1 ARG 371 HD3 -0.02 -0.04 0.04 -0.04 3.22 3.16 2h1lC1 MET 372 H 0.04 0.19 -1.24 -0.55 8.47 6.91 2h1lC1 MET 372 HA 0.01 0.07 0.71 -0.75 4.52 4.55 2h1lC1 MET 372 HB2 -0.09 0.12 0.24 -0.04 2.15 2.38 2h1lC1 MET 372 HB3 -0.26 -0.08 -0.03 -0.04 2.03 1.62 2h1lC1 MET 372 HG2 -0.20 -0.12 -0.03 -0.04 2.63 2.24 2h1lC1 MET 372 HG3 -0.20 0.44 0.02 -0.04 2.56 2.78 2h1lC1 MET 372 HE3 -0.77 -0.02 -0.07 -0.04 2.10 1.20 2h1lC1 ASP 373 H 0.22 0.46 0.05 -0.55 8.40 8.58 2h1lC1 ASP 373 HA 0.37 0.04 0.35 -0.75 4.63 4.64 2h1lC1 ASP 373 HB2 0.14 0.06 0.21 -0.04 2.71 3.08 2h1lC1 ASP 373 HB3 0.12 -0.05 -0.00 -0.04 2.70 2.72 2h1lC1 ILE 374 H 0.11 0.36 -0.04 -0.55 8.25 8.13 2h1lC1 ILE 374 HA 0.08 -0.02 0.29 -0.75 4.18 3.78 2h1lC1 ILE 374 HB 0.05 0.01 0.01 -0.04 1.89 1.92 2h1lC1 ILE 374 HG12 0.10 -0.04 -0.00 -0.04 1.49 1.50 2h1lC1 ILE 374 HG13 0.09 0.11 0.10 -0.04 1.21 1.47 2h1lC1 ILE 374 HG23 0.09 -0.01 -0.17 -0.04 0.93 0.81 2h1lC1 ILE 374 HD13 0.08 -0.01 -0.03 -0.04 0.88 0.88 2h1lC1 MET 375 H 0.01 0.18 -0.48 -0.55 8.47 7.63 2h1lC1 MET 375 HA -0.14 -0.00 0.22 -0.75 4.52 3.84 2h1lC1 MET 375 HB2 -0.15 0.52 0.29 -0.04 2.15 2.77 2h1lC1 MET 375 HB3 -0.58 -0.05 0.03 -0.04 2.03 1.39 2h1lC1 MET 375 HG2 -0.40 -0.00 -0.00 -0.04 2.63 2.18 2h1lC1 MET 375 HG3 -0.23 0.02 0.09 -0.04 2.56 2.39 2h1lC1 MET 375 HE3 -1.53 -0.02 -0.09 -0.04 2.10 0.41 2h1lC1 PHE 376 H 0.23 0.46 -0.24 -0.55 8.34 8.25 2h1lC1 PHE 376 HA 0.05 0.18 0.68 -0.75 4.62 4.78 2h1lC1 PHE 376 HB2 0.19 0.09 0.06 -0.04 3.15 3.45 2h1lC1 PHE 376 HB3 0.11 -0.11 0.19 -0.04 3.06 3.21 2h1lC1 PHE 376 HD2 0.06 0.19 0.01 -0.04 7.28 7.50 2h1lC1 PHE 376 HE2 -0.26 -0.07 -0.20 -0.04 7.38 6.81 2h1lC1 PHE 376 HZ -1.24 -0.09 -0.11 -0.04 7.32 5.84 2h1lC1 GLY 377 H 0.09 0.48 -0.75 -0.55 8.43 7.70 2h1lC1 GLY 377 HA2 0.08 0.01 0.55 -0.51 4.01 4.14 2h1lC1 GLY 377 HA3 0.07 -0.06 0.33 -0.51 4.01 3.85 2h1lC1 SER 378 H 0.03 0.06 0.16 -0.55 8.46 8.16 2h1lC1 SER 378 HA 0.03 0.15 0.57 -0.75 4.49 4.48 2h1lC1 SER 378 HB2 0.01 -0.04 0.12 -0.04 3.95 3.99 2h1lC1 SER 378 HB3 0.01 0.01 0.07 -0.04 3.93 3.98 2h1lC1 THR 379 H 0.03 0.01 -0.11 -0.55 8.28 7.66 2h1lC1 THR 379 HA 0.02 0.19 0.63 -0.75 4.39 4.47 2h1lC1 THR 379 HB 0.01 0.07 0.13 -0.04 4.32 4.49 2h1lC1 THR 379 HG23 -0.01 -0.03 -0.01 -0.04 1.22 1.13 2h1lC1 GLY 380 H 0.03 0.40 -0.74 -0.55 8.43 7.58 2h1lC1 GLY 380 HA2 0.04 0.02 0.51 -0.51 4.01 4.07 2h1lC1 GLY 380 HA3 0.02 0.12 0.15 -0.51 4.01 3.79 2h1lC1 SER 381 H 0.02 0.12 0.15 -0.55 8.46 8.20 2h1lC1 SER 381 HA 0.03 0.11 0.82 -0.75 4.49 4.70 2h1lC1 SER 381 HB2 0.03 -0.00 0.18 -0.04 3.95 4.11 2h1lC1 SER 381 HB3 0.04 -0.07 -0.01 -0.04 3.93 3.84 2h1lC1 ALA 382 H 0.04 0.16 0.04 -0.55 8.40 8.10 2h1lC1 ALA 382 HA 0.12 -0.08 0.40 -0.75 4.34 4.02 2h1lC1 ALA 382 HB3 -0.47 0.15 -0.17 -0.04 1.41 0.88 2h1lC1 ASP 383 H 0.26 0.15 0.08 -0.55 8.40 8.35 2h1lC1 ASP 383 HA 0.23 0.22 0.71 -0.75 4.63 5.04 2h1lC1 ASP 383 HB2 0.14 0.11 0.14 -0.04 2.71 3.06 2h1lC1 ASP 383 HB3 0.23 -0.10 0.25 -0.04 2.70 3.04 2h1lC1 ILE 384 H 0.45 0.44 0.23 -0.55 8.25 8.81 2h1lC1 ILE 384 HA 0.54 0.05 0.30 -0.75 4.18 4.32 2h1lC1 ILE 384 HB 0.27 0.17 0.16 -0.04 1.89 2.44 2h1lC1 ILE 384 HG12 0.19 0.09 -0.03 -0.04 1.49 1.71 2h1lC1 ILE 384 HG13 0.21 -0.09 -0.10 -0.04 1.21 1.19 2h1lC1 ILE 384 HG23 0.23 0.01 0.01 -0.04 0.93 1.14 2h1lC1 ILE 384 HD13 -0.67 0.01 0.01 -0.04 0.88 0.18 2h1lC1 GLU 385 H 0.31 0.07 -0.42 -0.55 8.60 8.02 2h1lC1 GLU 385 HA 0.61 0.11 0.37 -0.75 4.29 4.63 2h1lC1 GLU 385 HB2 0.18 0.07 0.06 -0.04 2.09 2.36 2h1lC1 GLU 385 HB3 0.17 -0.03 0.01 -0.04 1.99 2.11 2h1lC1 GLU 385 HG2 0.19 -0.05 -0.13 -0.04 2.34 2.31 2h1lC1 GLU 385 HG3 0.35 0.03 0.03 -0.04 2.34 2.71 2h1lC1 GLU 386 H 0.33 0.31 -0.13 -0.55 8.60 8.56 2h1lC1 GLU 386 HA 0.42 0.03 0.39 -0.75 4.29 4.37 2h1lC1 GLU 386 HB2 0.33 0.15 0.17 -0.04 2.09 2.70 2h1lC1 GLU 386 HB3 0.33 -0.02 -0.05 -0.04 1.99 2.21 2h1lC1 GLU 386 HG2 -0.06 -0.01 0.02 -0.04 2.34 2.25 2h1lC1 GLU 386 HG3 0.13 -0.05 0.09 -0.04 2.34 2.47 2h1lC1 TRP 387 H 0.67 0.42 -0.15 -0.55 7.97 8.36 2h1lC1 TRP 387 HA 0.09 0.00 0.40 -0.75 4.62 4.36 2h1lC1 TRP 387 HB2 0.22 0.14 0.05 -0.04 3.23 3.61 2h1lC1 TRP 387 HB3 0.11 -0.01 -0.07 -0.04 3.23 3.22 2h1lC1 TRP 387 HD1 0.30 0.13 -0.16 -0.04 7.22 7.45 2h1lC1 TRP 387 HE1 -0.04 0.03 -0.06 -0.04 10.20 10.08 2h1lC1 TRP 387 HE3 0.07 -0.06 -0.09 -0.04 7.59 7.47 2h1lC1 TRP 387 HZ2 -0.05 0.11 -0.02 -0.04 7.44 7.44 2h1lC1 TRP 387 HZ3 0.01 -0.24 0.08 -0.04 7.13 6.93 2h1lC1 TRP 387 HH2 -0.02 0.09 0.06 -0.04 7.19 7.28 2h1lC1 MET 388 H 0.16 0.56 -0.14 -0.55 8.47 8.51 2h1lC1 MET 388 HA -0.13 0.02 0.38 -0.75 4.52 4.04 2h1lC1 MET 388 HB2 -0.48 0.18 0.12 -0.04 2.15 1.92 2h1lC1 MET 388 HB3 -0.36 0.06 0.00 -0.04 2.03 1.69 2h1lC1 MET 388 HG2 -1.65 0.05 -0.05 -0.04 2.63 0.94 2h1lC1 MET 388 HG3 -0.57 -0.06 -0.04 -0.04 2.56 1.86 2h1lC1 MET 388 HE3 -0.48 0.02 -0.06 -0.04 2.10 1.54 2h1lC1 ALA 389 H 0.13 0.39 -0.54 -0.55 8.40 7.84 2h1lC1 ALA 389 HA 0.07 0.01 0.37 -0.75 4.34 4.03 2h1lC1 ALA 389 HB3 0.23 0.08 0.14 -0.04 1.41 1.81 2h1lC1 GLY 390 H 0.06 0.34 -0.43 -0.55 8.43 7.85 2h1lC1 GLY 390 HA2 0.03 0.02 0.65 -0.51 4.01 4.21 2h1lC1 GLY 390 HA3 -0.05 -0.00 0.33 -0.51 4.01 3.78 2h1lC1 VAL 391 H 0.12 0.73 0.15 -0.55 8.24 8.69 2h1lC1 VAL 391 HA 0.18 0.03 0.33 -0.75 4.13 3.91 2h1lC1 VAL 391 HB 0.06 0.12 0.16 -0.04 2.12 2.42 2h1lC1 VAL 391 HG13 0.18 -0.01 -0.07 -0.04 0.97 1.03 2h1lC1 VAL 391 HG23 0.09 0.12 0.05 -0.04 0.95 1.17 2h1lC1 ALA 392 H 0.13 0.43 -0.60 -0.55 8.40 7.81 2h1lC1 ALA 392 HA 0.18 0.01 0.32 -0.75 4.34 4.10 2h1lC1 ALA 392 HB3 -0.20 0.03 0.01 -0.04 1.41 1.21 2h1lC1 TRP 393 H 0.26 0.30 -0.21 -0.55 7.97 7.79 2h1lC1 TRP 393 HA 0.03 0.04 0.35 -0.75 4.62 4.29 2h1lC1 TRP 393 HB2 -0.04 0.06 0.21 -0.04 3.23 3.42 2h1lC1 TRP 393 HB3 -0.03 0.00 0.24 -0.04 3.23 3.40 2h1lC1 TRP 393 HD1 0.01 0.01 0.04 -0.04 7.22 7.24 2h1lC1 TRP 393 HE1 0.01 0.16 0.09 -0.04 10.20 10.42 2h1lC1 TRP 393 HE3 -0.02 0.02 -0.11 -0.04 7.59 7.44 2h1lC1 TRP 393 HZ2 -0.03 -0.01 -0.10 -0.04 7.44 7.26 2h1lC1 TRP 393 HZ3 -0.02 0.06 -0.06 -0.04 7.13 7.07 2h1lC1 TRP 393 HH2 -0.02 -0.08 -0.08 -0.04 7.19 6.97 2h1lC1 LEU 394 H 0.32 0.64 -0.08 -0.55 8.37 8.70 2h1lC1 LEU 394 HA -0.08 -0.00 0.35 -0.75 4.35 3.87 2h1lC1 LEU 394 HB2 0.20 0.13 0.08 -0.04 1.64 2.01 2h1lC1 LEU 394 HB3 0.13 -0.05 -0.06 -0.04 1.64 1.62 2h1lC1 LEU 394 HG 0.40 -0.06 -0.02 -0.04 1.64 1.92 2h1lC1 LEU 394 HD13 0.17 -0.00 -0.19 -0.04 0.93 0.86 2h1lC1 LEU 394 HD23 0.28 0.10 0.01 -0.04 0.89 1.24 2h1lC1 HIS 395 H 0.21 0.66 -0.19 -0.55 8.41 8.55 2h1lC1 HIS 395 HA -0.01 -0.12 0.40 -0.75 4.63 4.15 2h1lC1 HIS 395 HB2 0.21 0.12 0.15 -0.04 3.26 3.70 2h1lC1 HIS 395 HB3 0.19 0.14 0.05 -0.04 3.20 3.54 2h1lC1 HIS 395 HD2 -0.19 0.01 0.08 -0.04 6.97 6.83 2h1lC1 HIS 395 HE1 0.04 0.02 0.07 -0.04 7.75 7.83 2h1lC1 CYS 396 H -0.15 0.44 -0.95 -0.55 8.50 7.28 2h1lC1 CYS 396 HA -0.10 0.10 0.84 -0.75 4.58 4.67 2h1lC1 CYS 396 HB2 -0.31 0.20 0.11 -0.04 2.97 2.93 2h1lC1 CYS 396 HB3 -0.11 -0.08 0.08 -0.04 2.97 2.82 2h1lC1 LEU 397 H -0.25 0.57 0.01 -0.55 8.37 8.15 2h1lC1 LEU 397 HA -0.29 0.04 0.53 -0.75 4.35 3.88 2h1lC1 LEU 397 HB2 -0.42 -0.03 0.16 -0.04 1.64 1.31 2h1lC1 LEU 397 HB3 -0.14 0.05 0.21 -0.04 1.64 1.73 2h1lC1 LEU 397 HG 0.08 -0.02 -0.21 -0.04 1.64 1.44 2h1lC1 LEU 397 HD13 -0.01 0.00 0.09 -0.04 0.93 0.97 2h1lC1 LEU 397 HD23 0.09 -0.04 -0.05 -0.04 0.89 0.85 2h1lC1 LEU 398 H -0.17 0.17 -0.03 -0.55 8.37 7.80 2h1lC1 LEU 398 HA -0.17 0.23 0.76 -0.75 4.35 4.42 2h1lC1 LEU 398 HB2 -0.14 -0.08 -0.05 -0.04 1.64 1.33 2h1lC1 LEU 398 HB3 -0.21 0.08 -0.06 -0.04 1.64 1.41 2h1lC1 LEU 398 HG -0.12 -0.09 -0.42 -0.04 1.64 0.97 2h1lC1 LEU 398 HD13 -0.23 -0.02 -0.13 -0.04 0.93 0.51 2h1lC1 LEU 398 HD23 -0.63 0.05 -0.08 -0.04 0.89 0.18 2h1lC1 PRO 399 HA -0.12 0.02 0.39 -0.51 4.44 4.21 2h1lC1 PRO 399 HB2 -0.08 0.02 0.04 -0.04 2.28 2.21 2h1lC1 PRO 399 HB3 -0.07 0.02 0.07 -0.04 2.02 2.00 2h1lC1 PRO 399 HG2 -0.08 0.04 0.07 -0.04 2.03 2.02 2h1lC1 PRO 399 HG3 -0.08 0.07 0.06 -0.04 2.03 2.04 2h1lC1 PRO 399 HD2 -0.14 0.09 0.16 -0.04 3.68 3.74 2h1lC1 PRO 399 HD3 -0.12 0.22 0.15 -0.04 3.65 3.86 2h1lC1 LYS 400 H -0.13 0.14 0.20 -0.55 8.42 8.08 2h1lC1 LYS 400 HA -0.08 -0.01 0.38 -0.75 4.32 3.85 2h1lC1 LYS 400 HB2 -0.04 0.20 -0.26 -0.04 1.87 1.73 2h1lC1 LYS 400 HB3 -0.01 -0.09 0.19 -0.04 1.79 1.84 2h1lC1 LYS 400 HG2 -0.00 0.00 0.07 -0.04 1.46 1.49 2h1lC1 LYS 400 HG3 -0.02 0.01 -0.09 -0.04 1.46 1.32 2h1lC1 LYS 400 HD2 0.00 0.03 -0.03 -0.04 1.69 1.66 2h1lC1 LYS 400 HD3 0.02 -0.04 0.01 -0.04 1.68 1.63 2h1lC1 LYS 400 HE2 0.03 -0.00 0.01 -0.04 2.99 2.98 2h1lC1 LYS 400 HE3 0.01 0.02 -0.01 -0.04 2.99 2.96 2h1lC1 MET 401 H -0.44 0.24 -0.02 -0.55 8.47 7.70 2h1lC1 MET 401 HA -0.09 0.09 0.28 -0.75 4.52 4.05 2h1lC1 MET 401 HB2 -0.25 0.24 0.14 -0.04 2.15 2.24 2h1lC1 MET 401 HB3 -0.40 -0.09 0.18 -0.04 2.03 1.68 2h1lC1 MET 401 HG2 -0.01 0.09 -0.30 -0.04 2.63 2.37 2h1lC1 MET 401 HG3 0.04 -0.05 -0.32 -0.04 2.56 2.19 2h1lC1 MET 401 HE3 -0.06 0.08 0.02 -0.04 2.10 2.10 2h1lC1 ASP 402 H -0.03 0.16 -0.03 -0.55 8.40 7.95 2h1lC1 ASP 402 HA 0.05 0.07 0.24 -0.75 4.63 4.23 2h1lC1 ASP 402 HB2 -0.07 0.06 0.04 -0.04 2.71 2.70 2h1lC1 ASP 402 HB3 -0.42 0.04 0.11 -0.04 2.70 2.39 2h1lC1 SER 403 H 0.01 0.14 -0.68 -0.55 8.46 7.38 2h1lC1 SER 403 HA 0.11 0.06 0.51 -0.75 4.49 4.41 2h1lC1 SER 403 HB2 0.04 0.26 0.11 -0.04 3.95 4.32 2h1lC1 SER 403 HB3 0.08 -0.01 0.02 -0.04 3.93 3.98 2h1lC1 VAL 404 H 0.07 0.51 0.06 -0.55 8.24 8.34 2h1lC1 VAL 404 HA 0.28 0.01 0.43 -0.75 4.13 4.09 2h1lC1 VAL 404 HB 0.10 0.06 0.09 -0.04 2.12 2.33 2h1lC1 VAL 404 HG13 0.32 -0.03 -0.13 -0.04 0.97 1.10 2h1lC1 VAL 404 HG23 0.02 0.10 0.01 -0.04 0.95 1.04 2h1lC1 VAL 405 H 0.12 0.51 -0.21 -0.55 8.24 8.11 2h1lC1 VAL 405 HA 0.09 0.01 0.31 -0.75 4.13 3.79 2h1lC1 VAL 405 HB 0.14 0.17 -0.04 -0.04 2.12 2.35 2h1lC1 VAL 405 HG13 0.13 -0.01 -0.14 -0.04 0.97 0.91 2h1lC1 VAL 405 HG23 0.08 0.04 -0.10 -0.04 0.95 0.93 2h1lC1 TYR 406 H 0.24 0.29 -0.48 -0.55 8.29 7.80 2h1lC1 TYR 406 HA 0.02 0.08 0.55 -0.75 4.56 4.46 2h1lC1 TYR 406 HB2 0.02 0.07 0.12 -0.04 3.06 3.23 2h1lC1 TYR 406 HB3 0.04 0.09 0.14 -0.04 2.98 3.21 2h1lC1 TYR 406 HD2 -0.05 0.01 -0.04 -0.04 7.15 7.03 2h1lC1 TYR 406 HE2 -0.15 0.03 -0.05 -0.04 6.85 6.64 2h1lC1 ASP 407 H 0.25 0.63 0.06 -0.55 8.40 8.79 2h1lC1 ASP 407 HA 0.09 0.01 0.37 -0.75 4.63 4.35 2h1lC1 ASP 407 HB2 0.50 0.08 0.14 -0.04 2.71 3.39 2h1lC1 ASP 407 HB3 0.40 -0.02 0.00 -0.04 2.70 3.04 2h1lC1 PHE 408 H 0.18 0.43 -0.48 -0.55 8.34 7.92 2h1lC1 PHE 408 HA -0.64 0.05 0.41 -0.75 4.62 3.69 2h1lC1 PHE 408 HB2 -1.46 -0.02 -0.02 -0.04 3.15 1.60 2h1lC1 PHE 408 HB3 -0.38 0.09 0.05 -0.04 3.06 2.78 2h1lC1 PHE 408 HD2 -1.37 0.02 -0.15 -0.04 7.28 5.74 2h1lC1 PHE 408 HE2 -0.34 0.03 -0.19 -0.04 7.38 6.84 2h1lC1 PHE 408 HZ -0.27 -0.02 -0.16 -0.04 7.32 6.83 2h1lC1 LEU 409 H -0.02 0.46 -0.11 -0.55 8.37 8.16 2h1lC1 LEU 409 HA -0.21 0.03 0.35 -0.75 4.35 3.77 2h1lC1 LEU 409 HB2 -0.17 0.03 0.28 -0.04 1.64 1.75 2h1lC1 LEU 409 HB3 -0.18 -0.04 -0.02 -0.04 1.64 1.36 2h1lC1 LEU 409 HG 0.18 0.03 0.07 -0.04 1.64 1.87 2h1lC1 LEU 409 HD13 0.22 -0.03 -0.13 -0.04 0.93 0.94 2h1lC1 LEU 409 HD23 0.10 -0.01 -0.03 -0.04 0.89 0.91 2h1lC1 LYS 410 H -0.42 0.85 -0.09 -0.55 8.42 8.21 2h1lC1 LYS 410 HA -0.51 0.00 0.40 -0.75 4.32 3.46 2h1lC1 LYS 410 HB2 -0.33 0.08 0.11 -0.04 1.87 1.69 2h1lC1 LYS 410 HB3 -0.51 -0.03 -0.04 -0.04 1.79 1.18 2h1lC1 LYS 410 HG2 -1.27 0.05 -0.00 -0.04 1.46 0.19 2h1lC1 LYS 410 HG3 -0.47 -0.04 -0.02 -0.04 1.46 0.89 2h1lC1 LYS 410 HD2 -0.33 -0.01 -0.01 -0.04 1.69 1.29 2h1lC1 LYS 410 HD3 -0.68 -0.02 0.02 -0.04 1.68 0.96 2h1lC1 LYS 410 HE2 -0.47 -0.01 -0.17 -0.04 2.99 2.30 2h1lC1 LYS 410 HE3 -0.56 0.01 -0.05 -0.04 2.99 2.35 2h1lC1 CYS 411 H -0.14 0.47 -0.24 -0.55 8.50 8.04 2h1lC1 CYS 411 HA 0.05 -0.04 0.36 -0.75 4.58 4.19 2h1lC1 CYS 411 HB2 0.31 -0.01 0.15 -0.04 2.97 3.38 2h1lC1 CYS 411 HB3 -0.02 0.08 0.20 -0.04 2.97 3.18 2h1lC1 MET 412 H -0.43 0.43 -0.47 -0.55 8.47 7.46 2h1lC1 MET 412 HA -0.35 0.08 0.56 -0.75 4.52 4.05 2h1lC1 MET 412 HB2 -0.36 0.08 0.11 -0.04 2.15 1.93 2h1lC1 MET 412 HB3 -0.42 -0.01 -0.03 -0.04 2.03 1.53 2h1lC1 MET 412 HG2 -1.58 0.16 -0.05 -0.04 2.63 1.13 2h1lC1 MET 412 HG3 -1.06 -0.12 -0.13 -0.04 2.56 1.21 2h1lC1 MET 412 HE3 -0.50 0.02 -0.05 -0.04 2.10 1.52 2h1lC1 VAL 413 H -0.24 0.47 -0.00 -0.55 8.24 7.92 2h1lC1 VAL 413 HA -0.07 0.04 0.46 -0.75 4.13 3.81 2h1lC1 VAL 413 HB -0.30 0.01 0.14 -0.04 2.12 1.94 2h1lC1 VAL 413 HG13 -0.05 -0.05 -0.23 -0.04 0.97 0.60 2h1lC1 VAL 413 HG23 -0.10 0.15 0.02 -0.04 0.95 0.98 2h1lC1 TYR 414 H -0.13 0.72 0.03 -0.55 8.29 8.36 2h1lC1 TYR 414 HA -0.05 -0.05 0.43 -0.75 4.56 4.13 2h1lC1 TYR 414 HB2 -0.05 0.09 0.09 -0.04 3.06 3.16 2h1lC1 TYR 414 HB3 -0.03 -0.03 -0.09 -0.04 2.98 2.79 2h1lC1 TYR 414 HD2 -0.03 0.03 -0.05 -0.04 7.15 7.06 2h1lC1 TYR 414 HE2 -0.02 -0.04 -0.03 -0.04 6.85 6.72 2h1lC1 ASN 415 H 0.02 0.33 -0.17 -0.55 8.53 8.16 2h1lC1 ASN 415 HA -0.03 0.08 0.31 -0.75 4.76 4.37 2h1lC1 ASN 415 HB2 -0.06 0.06 -0.42 -0.04 2.88 2.42 2h1lC1 ASN 415 HB3 -0.02 0.02 0.31 -0.04 2.79 3.06 2h1lC1 ASN 415 HD21 -0.06 0.03 0.04 -0.04 7.03 6.99 2h1lC1 ASN 415 HD22 -0.05 -0.08 0.07 -0.04 7.74 7.64 2h1lC1 ILE 416 H 0.06 0.17 0.03 -0.55 8.25 7.96 2h1lC1 ILE 416 HA 0.01 0.15 0.58 -0.75 4.18 4.16 2h1lC1 ILE 416 HB 0.05 0.10 0.16 -0.04 1.89 2.16 2h1lC1 ILE 416 HG12 0.08 -0.06 -0.08 -0.04 1.49 1.39 2h1lC1 ILE 416 HG13 0.01 -0.07 -0.00 -0.04 1.21 1.11 2h1lC1 ILE 416 HG23 -0.00 0.01 -0.08 -0.04 0.93 0.82 2h1lC1 ILE 416 HD13 -0.11 0.02 -0.13 -0.04 0.88 0.61 2h1lC1 PRO 417 HA 0.03 0.17 0.25 -0.51 4.44 4.38 2h1lC1 PRO 417 HB2 0.00 -0.04 -0.00 -0.04 2.28 2.20 2h1lC1 PRO 417 HB3 0.00 -0.11 -0.06 -0.04 2.02 1.81 2h1lC1 PRO 417 HG2 -0.01 -0.04 0.04 -0.04 2.03 1.99 2h1lC1 PRO 417 HG3 0.00 0.17 -0.05 -0.04 2.03 2.11 2h1lC1 PRO 417 HD2 -0.01 -0.02 0.18 -0.04 3.68 3.80 2h1lC1 PRO 417 HD3 -0.00 0.42 0.33 -0.04 3.65 4.36 2h1lC1 LYS 418 H 0.03 0.37 0.16 -0.55 8.42 8.43 2h1lC1 LYS 418 HA 0.01 0.01 0.40 -0.75 4.32 3.98 2h1lC1 LYS 418 HB2 0.01 0.14 -0.26 -0.04 1.87 1.71 2h1lC1 LYS 418 HB3 0.00 0.01 0.15 -0.04 1.79 1.92 2h1lC1 LYS 418 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.42 2h1lC1 LYS 418 HG3 -0.00 -0.10 -0.13 -0.04 1.46 1.19 2h1lC1 LYS 418 HD2 -0.01 0.01 -0.07 -0.04 1.69 1.58 2h1lC1 LYS 418 HD3 -0.01 0.04 -0.03 -0.04 1.68 1.64 2h1lC1 LYS 418 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2h1lC1 LYS 418 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.85 2h1lC1 LYS 419 H 0.07 0.44 -0.61 -0.55 8.42 7.77 2h1lC1 LYS 419 HA 0.11 0.07 0.65 -0.75 4.32 4.39 2h1lC1 LYS 419 HB2 0.06 0.07 0.01 -0.04 1.87 1.97 2h1lC1 LYS 419 HB3 0.08 -0.14 0.19 -0.04 1.79 1.88 2h1lC1 LYS 419 HG2 0.05 0.02 0.05 -0.04 1.46 1.54 2h1lC1 LYS 419 HG3 0.03 0.08 -0.43 -0.04 1.46 1.11 2h1lC1 LYS 419 HD2 0.02 -0.02 -0.05 -0.04 1.69 1.60 2h1lC1 LYS 419 HD3 0.04 -0.08 0.01 -0.04 1.68 1.61 2h1lC1 LYS 419 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 2h1lC1 LYS 419 HE3 0.01 -0.09 -0.02 -0.04 2.99 2.85 2h1lC1 ARG 420 H 0.23 0.19 0.11 -0.55 8.46 8.43 2h1lC1 ARG 420 HA 0.14 0.20 1.00 -0.75 4.34 4.93 2h1lC1 ARG 420 HB2 0.32 0.15 0.07 -0.04 1.90 2.39 2h1lC1 ARG 420 HB3 0.07 -0.08 0.24 -0.04 1.80 1.99 2h1lC1 ARG 420 HG2 0.06 -0.09 -0.21 -0.04 1.67 1.38 2h1lC1 ARG 420 HG3 0.10 -0.00 -0.40 -0.04 1.67 1.33 2h1lC1 ARG 420 HD2 0.04 -0.02 -0.04 -0.04 3.22 3.16 2h1lC1 ARG 420 HD3 0.05 -0.01 -0.30 -0.04 3.22 2.91 2h1lC1 TYR 421 H 0.42 0.14 0.23 -0.55 8.29 8.53 2h1lC1 TYR 421 HA 0.36 0.37 1.33 -0.75 4.56 5.87 2h1lC1 TYR 421 HB2 0.19 0.21 0.08 -0.04 3.06 3.50 2h1lC1 TYR 421 HB3 0.61 -0.06 -0.14 -0.04 2.98 3.35 2h1lC1 TYR 421 HD2 0.31 -0.10 -0.28 -0.04 7.15 7.04 2h1lC1 TYR 421 HE2 0.33 0.06 -0.14 -0.04 6.85 7.06 2h1lC1 TRP 422 H 0.55 0.45 0.35 -0.55 7.97 8.78 2h1lC1 TRP 422 HA 0.30 0.24 0.95 -0.75 4.62 5.36 2h1lC1 TRP 422 HB2 0.30 -0.02 0.10 -0.04 3.23 3.57 2h1lC1 TRP 422 HB3 0.53 -0.08 -0.07 -0.04 3.23 3.57 2h1lC1 TRP 422 HD1 0.19 -0.04 -0.66 -0.04 7.22 6.67 2h1lC1 TRP 422 HE1 0.08 0.09 -0.13 -0.04 10.20 10.21 2h1lC1 TRP 422 HE3 0.52 -0.06 -0.15 -0.04 7.59 7.86 2h1lC1 TRP 422 HZ2 0.13 0.13 -0.57 -0.04 7.44 7.09 2h1lC1 TRP 422 HZ3 0.11 -0.05 -0.12 -0.04 7.13 7.03 2h1lC1 TRP 422 HH2 0.15 0.01 -0.08 -0.04 7.19 7.24 2h1lC1 LEU 423 H 0.20 0.64 0.27 -0.55 8.37 8.93 2h1lC1 LEU 423 HA -0.08 0.28 1.03 -0.75 4.35 4.82 2h1lC1 LEU 423 HB2 -1.21 0.03 -0.05 -0.04 1.64 0.37 2h1lC1 LEU 423 HB3 -0.23 -0.04 0.21 -0.04 1.64 1.54 2h1lC1 LEU 423 HG -0.95 -0.03 -0.11 -0.04 1.64 0.51 2h1lC1 LEU 423 HD13 -0.09 -0.02 -0.25 -0.04 0.93 0.52 2h1lC1 LEU 423 HD23 -0.51 0.07 -0.16 -0.04 0.89 0.26 2h1lC1 PHE 424 H 0.39 0.27 0.11 -0.55 8.34 8.56 2h1lC1 PHE 424 HA 0.31 0.05 0.63 -0.75 4.62 4.86 2h1lC1 PHE 424 HB2 0.08 0.02 0.12 -0.04 3.15 3.32 2h1lC1 PHE 424 HB3 0.07 -0.10 0.02 -0.04 3.06 3.00 2h1lC1 PHE 424 HD2 0.10 -0.06 -0.16 -0.04 7.28 7.12 2h1lC1 PHE 424 HE2 0.39 -0.02 -0.13 -0.04 7.38 7.57 2h1lC1 PHE 424 HZ -0.11 0.03 -0.14 -0.04 7.32 7.07 2h1lC1 LYS 425 H 0.22 0.65 0.44 -0.55 8.42 9.17 2h1lC1 LYS 425 HA 0.13 0.20 1.00 -0.75 4.32 4.90 2h1lC1 LYS 425 HB2 0.05 0.06 -0.11 -0.04 1.87 1.82 2h1lC1 LYS 425 HB3 0.06 -0.02 0.05 -0.04 1.79 1.84 2h1lC1 LYS 425 HG2 0.06 -0.08 -0.22 -0.04 1.46 1.19 2h1lC1 LYS 425 HG3 0.07 0.05 -0.15 -0.04 1.46 1.39 2h1lC1 LYS 425 HD2 0.02 0.00 -0.10 -0.04 1.69 1.58 2h1lC1 LYS 425 HD3 0.03 -0.02 -0.08 -0.04 1.68 1.57 2h1lC1 LYS 425 HE2 0.04 -0.14 -0.05 -0.04 2.99 2.80 2h1lC1 LYS 425 HE3 0.08 -0.01 -0.01 -0.04 2.99 3.01 2h1lC1 GLY 426 H 0.09 0.61 0.35 -0.55 8.43 8.93 2h1lC1 GLY 426 HA2 0.08 0.13 0.46 -0.51 4.01 4.18 2h1lC1 GLY 426 HA3 0.13 -0.01 0.38 -0.51 4.01 4.00 2h1lC1 PRO 427 HA 0.01 0.01 0.53 -0.51 4.44 4.48 2h1lC1 PRO 427 HB2 -0.00 0.01 0.14 -0.04 2.28 2.39 2h1lC1 PRO 427 HB3 -0.00 0.02 0.14 -0.04 2.02 2.14 2h1lC1 PRO 427 HG2 0.01 0.05 -0.22 -0.04 2.03 1.83 2h1lC1 PRO 427 HG3 0.00 0.06 0.09 -0.04 2.03 2.14 2h1lC1 PRO 427 HD2 0.06 0.28 0.13 -0.04 3.68 4.11 2h1lC1 PRO 427 HD3 0.03 0.15 0.21 -0.04 3.65 3.99 2h1lC1 ILE 428 H 0.00 0.14 0.11 -0.55 8.25 7.95 2h1lC1 ILE 428 HA 0.01 -0.02 0.41 -0.75 4.18 3.83 2h1lC1 ILE 428 HB 0.00 0.05 0.12 -0.04 1.89 2.02 2h1lC1 ILE 428 HG12 0.02 -0.02 0.03 -0.04 1.49 1.48 2h1lC1 ILE 428 HG13 0.00 -0.05 0.10 -0.04 1.21 1.23 2h1lC1 ILE 428 HG23 0.00 0.00 -0.09 -0.04 0.93 0.80 2h1lC1 ILE 428 HD13 0.00 0.03 0.03 -0.04 0.88 0.90 2h1lC1 ASP 429 H -0.00 0.05 0.13 -0.55 8.40 8.04 2h1lC1 ASP 429 HA -0.00 -0.13 0.35 -0.75 4.63 4.10 2h1lC1 ASP 429 HB2 -0.00 -0.03 -0.07 -0.04 2.71 2.57 2h1lC1 ASP 429 HB3 0.00 0.24 -0.00 -0.04 2.70 2.90 2h1lC1 SER 430 H -0.02 -0.18 0.05 -0.55 8.46 7.76 2h1lC1 SER 430 HA 0.02 0.27 0.65 -0.75 4.49 4.68 2h1lC1 SER 430 HB2 0.11 -0.03 -0.29 -0.04 3.95 3.69 2h1lC1 SER 430 HB3 0.03 0.12 -0.46 -0.04 3.93 3.57 2h1lC1 GLY 431 H -0.03 -0.13 0.05 -0.55 8.43 7.77 2h1lC1 GLY 431 HA2 0.07 0.02 0.27 -0.51 4.01 3.86 2h1lC1 GLY 431 HA3 0.03 0.39 0.76 -0.51 4.01 4.68 2h1lC1 LYS 432 H -0.46 0.17 -0.27 -0.55 8.42 7.31 2h1lC1 LYS 432 HA -1.06 0.13 0.24 -0.75 4.32 2.88 2h1lC1 LYS 432 HB2 -0.15 -0.15 0.01 -0.04 1.87 1.55 2h1lC1 LYS 432 HB3 -0.12 0.13 -0.07 -0.04 1.79 1.69 2h1lC1 LYS 432 HG2 -0.46 0.09 -0.22 -0.04 1.46 0.82 2h1lC1 LYS 432 HG3 -0.37 -0.15 -0.13 -0.04 1.46 0.77 2h1lC1 LYS 432 HD2 0.02 0.11 -0.08 -0.04 1.69 1.70 2h1lC1 LYS 432 HD3 0.03 0.01 -0.21 -0.04 1.68 1.47 2h1lC1 LYS 432 HE2 -0.04 -0.13 -0.11 -0.04 2.99 2.68 2h1lC1 LYS 432 HE3 -0.04 -0.18 -0.08 -0.04 2.99 2.66 2h1lC1 THR 433 H -0.10 0.01 -0.24 -0.55 8.28 7.40 2h1lC1 THR 433 HA -0.04 0.10 0.30 -0.75 4.39 3.99 2h1lC1 THR 433 HB -0.02 -0.01 -0.03 -0.04 4.32 4.22 2h1lC1 THR 433 HG23 -0.02 0.02 -0.09 -0.04 1.22 1.10 2h1lC1 THR 434 H -0.01 -0.01 -0.21 -0.55 8.28 7.51 2h1lC1 THR 434 HA 0.01 0.04 0.28 -0.75 4.39 3.96 2h1lC1 THR 434 HB 0.15 0.11 0.06 -0.04 4.32 4.60 2h1lC1 THR 434 HG23 0.09 0.05 -0.13 -0.04 1.22 1.18 2h1lC1 LEU 435 H 0.03 0.50 -0.34 -0.55 8.37 8.00 2h1lC1 LEU 435 HA 0.09 0.11 0.53 -0.75 4.35 4.34 2h1lC1 LEU 435 HB2 0.16 0.02 -0.02 -0.04 1.64 1.75 2h1lC1 LEU 435 HB3 0.19 0.08 0.06 -0.04 1.64 1.93 2h1lC1 LEU 435 HG 0.37 -0.00 -0.30 -0.04 1.64 1.67 2h1lC1 LEU 435 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.86 2h1lC1 LEU 435 HD23 0.23 0.00 -0.12 -0.04 0.89 0.96 2h1lC1 ALA 436 H 0.05 0.63 0.10 -0.55 8.40 8.64 2h1lC1 ALA 436 HA -0.26 0.00 0.28 -0.75 4.34 3.61 2h1lC1 ALA 436 HB3 -0.18 0.01 0.01 -0.04 1.41 1.20 2h1lC1 ALA 437 H -0.03 0.48 -0.65 -0.55 8.40 7.66 2h1lC1 ALA 437 HA -0.04 0.01 0.43 -0.75 4.34 3.98 2h1lC1 ALA 437 HB3 -0.01 0.02 0.01 -0.04 1.41 1.39 2h1lC1 ALA 438 H 0.01 0.35 -0.18 -0.55 8.40 8.03 2h1lC1 ALA 438 HA 0.03 -0.04 -0.02 -0.75 4.34 3.55 2h1lC1 ALA 438 HB3 0.05 0.03 -0.01 -0.04 1.41 1.44 2h1lC1 LEU 439 H -0.06 0.58 -0.14 -0.55 8.37 8.21 2h1lC1 LEU 439 HA -0.01 0.03 0.28 -0.75 4.35 3.89 2h1lC1 LEU 439 HB2 -0.34 0.03 -0.06 -0.04 1.64 1.23 2h1lC1 LEU 439 HB3 -0.38 0.04 -0.12 -0.04 1.64 1.14 2h1lC1 LEU 439 HG -0.12 -0.00 -0.11 -0.04 1.64 1.37 2h1lC1 LEU 439 HD13 -0.58 -0.02 -0.19 -0.04 0.93 0.11 2h1lC1 LEU 439 HD23 -0.18 -0.00 -0.09 -0.04 0.89 0.58 2h1lC1 LEU 440 H -0.07 0.38 -0.53 -0.55 8.37 7.60 2h1lC1 LEU 440 HA 0.00 -0.00 0.21 -0.75 4.35 3.81 2h1lC1 LEU 440 HB2 -0.06 0.09 0.08 -0.04 1.64 1.71 2h1lC1 LEU 440 HB3 -0.03 0.23 0.22 -0.04 1.64 2.01 2h1lC1 LEU 440 HG -0.01 0.01 -0.27 -0.04 1.64 1.33 2h1lC1 LEU 440 HD13 -0.03 -0.01 -0.30 -0.04 0.93 0.54 2h1lC1 LEU 440 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.69 2h1lC1 GLU 441 H -0.00 0.53 -0.03 -0.55 8.60 8.55 2h1lC1 GLU 441 HA 0.00 0.00 0.41 -0.75 4.29 3.95 2h1lC1 GLU 441 HB2 0.00 0.00 0.14 -0.04 2.09 2.19 2h1lC1 GLU 441 HB3 0.01 0.05 0.16 -0.04 1.99 2.17 2h1lC1 GLU 441 HG2 -0.01 0.04 -0.27 -0.04 2.34 2.06 2h1lC1 GLU 441 HG3 -0.00 0.06 0.04 -0.04 2.34 2.39 2h1lC1 LEU 442 H 0.01 0.55 -0.25 -0.55 8.37 8.13 2h1lC1 LEU 442 HA -0.05 -0.04 0.40 -0.75 4.35 3.91 2h1lC1 LEU 442 HB2 0.01 -0.05 0.11 -0.04 1.64 1.67 2h1lC1 LEU 442 HB3 0.06 0.18 0.14 -0.04 1.64 1.98 2h1lC1 LEU 442 HG 0.18 0.06 -0.20 -0.04 1.64 1.64 2h1lC1 LEU 442 HD13 -0.27 -0.00 0.09 -0.04 0.93 0.71 2h1lC1 LEU 442 HD23 0.10 -0.05 -0.12 -0.04 0.89 0.77 2h1lC1 CYS 443 H 0.06 0.45 -0.30 -0.55 8.50 8.16 2h1lC1 CYS 443 HA -0.06 0.10 0.79 -0.75 4.58 4.65 2h1lC1 CYS 443 HB2 0.20 0.00 -0.08 -0.04 2.97 3.04 2h1lC1 CYS 443 HB3 -0.15 -0.03 -0.01 -0.04 2.97 2.74 2h1lC1 GLY 444 H 0.02 0.49 0.10 -0.55 8.43 8.50 2h1lC1 GLY 444 HA2 -0.00 -0.06 0.40 -0.51 4.01 3.83 2h1lC1 GLY 444 HA3 -0.02 0.12 0.70 -0.51 4.01 4.30 2h1lC1 GLY 445 H 0.01 0.05 -0.01 -0.55 8.43 7.93 2h1lC1 GLY 445 HA2 0.01 0.21 0.99 -0.51 4.01 4.71 2h1lC1 GLY 445 HA3 0.00 0.06 0.34 -0.51 4.01 3.90 2h1lC1 LYS 446 H -0.06 0.36 0.25 -0.55 8.42 8.41 2h1lC1 LYS 446 HA -0.02 0.10 0.87 -0.75 4.32 4.51 2h1lC1 LYS 446 HB2 -0.05 0.04 -0.05 -0.04 1.87 1.77 2h1lC1 LYS 446 HB3 -0.02 -0.03 -0.10 -0.04 1.79 1.61 2h1lC1 LYS 446 HG2 -0.02 0.08 -0.60 -0.04 1.46 0.88 2h1lC1 LYS 446 HG3 -0.02 0.29 -0.09 -0.04 1.46 1.60 2h1lC1 LYS 446 HD2 0.00 -0.04 0.01 -0.04 1.69 1.63 2h1lC1 LYS 446 HD3 -0.00 -0.11 0.11 -0.04 1.68 1.63 2h1lC1 LYS 446 HE2 -0.01 0.09 -0.02 -0.04 2.99 3.01 2h1lC1 LYS 446 HE3 -0.00 -0.12 0.02 -0.04 2.99 2.85 2h1lC1 ALA 447 H -0.02 0.16 0.16 -0.55 8.40 8.15 2h1lC1 ALA 447 HA -0.05 0.28 0.97 -0.75 4.34 4.79 2h1lC1 ALA 447 HB3 -0.00 -0.03 0.11 -0.04 1.41 1.45 2h1lC1 LEU 448 H -0.02 0.51 0.28 -0.55 8.37 8.59 2h1lC1 LEU 448 HA 0.09 0.23 0.98 -0.75 4.35 4.90 2h1lC1 LEU 448 HB2 0.37 -0.05 -0.08 -0.04 1.64 1.83 2h1lC1 LEU 448 HB3 0.29 -0.03 -0.10 -0.04 1.64 1.76 2h1lC1 LEU 448 HG -0.10 0.06 -0.19 -0.04 1.64 1.36 2h1lC1 LEU 448 HD13 0.32 0.03 -0.13 -0.04 0.93 1.11 2h1lC1 LEU 448 HD23 0.04 0.02 -0.63 -0.04 0.89 0.28 2h1lC1 ASN 449 H 0.12 0.29 0.08 -0.55 8.53 8.48 2h1lC1 ASN 449 HA 0.10 0.07 0.95 -0.75 4.76 5.12 2h1lC1 ASN 449 HB2 0.05 0.09 -0.01 -0.04 2.88 2.98 2h1lC1 ASN 449 HB3 0.05 0.07 0.21 -0.04 2.79 3.07 2h1lC1 ASN 449 HD21 0.02 -0.01 0.01 -0.04 7.03 7.01 2h1lC1 ASN 449 HD22 0.04 0.06 0.03 -0.04 7.74 7.82 2h1lC1 VAL 450 H 0.06 0.19 -0.01 -0.55 8.24 7.93 2h1lC1 VAL 450 HA -0.02 0.27 0.81 -0.75 4.13 4.44 2h1lC1 VAL 450 HB -0.17 0.06 0.13 -0.04 2.12 2.10 2h1lC1 VAL 450 HG13 -0.15 0.02 -0.18 -0.04 0.97 0.62 2h1lC1 VAL 450 HG23 -0.19 -0.01 -0.10 -0.04 0.95 0.60 2h1lC1 ASN 451 H 0.00 0.01 -0.35 -0.55 8.53 7.65 2h1lC1 ASN 451 HA -0.05 0.05 0.61 -0.75 4.76 4.62 2h1lC1 ASN 451 HB2 -0.00 0.02 0.05 -0.04 2.88 2.91 2h1lC1 ASN 451 HB3 -0.02 0.06 -0.02 -0.04 2.79 2.78 2h1lC1 ASN 451 HD21 -0.02 -0.05 -0.04 -0.04 7.03 6.88 2h1lC1 ASN 451 HD22 -0.00 0.13 -0.00 -0.04 7.74 7.83 2h1lC1 LEU 452 H -0.00 0.01 -0.10 -0.55 8.37 7.73 2h1lC1 LEU 452 HA -0.01 0.10 0.44 -0.75 4.35 4.13 2h1lC1 LEU 452 HB2 0.01 0.05 -0.02 -0.04 1.64 1.64 2h1lC1 LEU 452 HB3 -0.00 0.06 0.03 -0.04 1.64 1.69 2h1lC1 LEU 452 HG 0.01 -0.11 0.02 -0.04 1.64 1.51 2h1lC1 LEU 452 HD13 0.01 0.02 -0.00 -0.04 0.93 0.91 2h1lC1 LEU 452 HD23 -0.00 0.00 -0.05 -0.04 0.89 0.80 2h1lC1 PRO 453 HA -0.02 0.03 0.37 -0.51 4.44 4.32 2h1lC1 PRO 453 HB2 -0.01 0.00 0.02 -0.04 2.28 2.26 2h1lC1 PRO 453 HB3 -0.01 0.02 0.10 -0.04 2.02 2.09 2h1lC1 PRO 453 HG2 -0.01 0.08 0.07 -0.04 2.03 2.13 2h1lC1 PRO 453 HG3 -0.01 0.08 0.11 -0.04 2.03 2.16 2h1lC1 PRO 453 HD2 -0.01 0.11 0.13 -0.04 3.68 3.87 2h1lC1 PRO 453 HD3 -0.01 0.14 0.21 -0.04 3.65 3.96 2h1lC1 LEU 454 H -0.02 0.21 0.17 -0.55 8.37 8.18 2h1lC1 LEU 454 HA -0.02 0.13 0.53 -0.75 4.35 4.23 2h1lC1 LEU 454 HB2 -0.03 0.03 0.04 -0.04 1.64 1.64 2h1lC1 LEU 454 HB3 -0.05 0.08 0.16 -0.04 1.64 1.79 2h1lC1 LEU 454 HG -0.04 0.05 0.11 -0.04 1.64 1.72 2h1lC1 LEU 454 HD13 -0.02 -0.04 0.07 -0.04 0.93 0.90 2h1lC1 LEU 454 HD23 -0.05 0.03 0.02 -0.04 0.89 0.85 2h1lC1 ASP 455 H -0.00 0.07 -0.44 -0.55 8.40 7.48 2h1lC1 ASP 455 HA 0.02 0.10 0.32 -0.75 4.63 4.32 2h1lC1 ASP 455 HB2 0.00 0.03 -0.05 -0.04 2.71 2.64 2h1lC1 ASP 455 HB3 0.01 0.06 0.12 -0.04 2.70 2.85 2h1lC1 ARG 456 H 0.02 0.03 -1.20 -0.55 8.46 6.76 2h1lC1 ARG 456 HA 0.08 0.13 0.66 -0.75 4.34 4.46 2h1lC1 ARG 456 HB2 0.01 0.15 -0.12 -0.04 1.90 1.91 2h1lC1 ARG 456 HB3 0.01 -0.05 0.08 -0.04 1.80 1.81 2h1lC1 ARG 456 HG2 -0.01 -0.05 -0.44 -0.04 1.67 1.13 2h1lC1 ARG 456 HG3 -0.03 -0.01 -0.09 -0.04 1.67 1.50 2h1lC1 ARG 456 HD2 -0.14 -0.05 0.03 -0.04 3.22 3.03 2h1lC1 ARG 456 HD3 -0.06 0.14 0.13 -0.04 3.22 3.39 2h1lC1 LEU 457 H 0.03 0.46 0.01 -0.55 8.37 8.32 2h1lC1 LEU 457 HA 0.02 0.10 0.45 -0.75 4.35 4.17 2h1lC1 LEU 457 HB2 -0.02 -0.08 0.43 -0.04 1.64 1.93 2h1lC1 LEU 457 HB3 -0.04 0.02 0.13 -0.04 1.64 1.71 2h1lC1 LEU 457 HG -0.06 0.06 0.02 -0.04 1.64 1.63 2h1lC1 LEU 457 HD13 -0.13 -0.00 0.03 -0.04 0.93 0.79 2h1lC1 LEU 457 HD23 -0.10 -0.01 -0.05 -0.04 0.89 0.69 2h1lC1 ASN 458 H 0.04 0.23 -0.02 -0.55 8.53 8.24 2h1lC1 ASN 458 HA -0.00 0.08 0.33 -0.75 4.76 4.42 2h1lC1 ASN 458 HB2 0.03 0.00 0.01 -0.04 2.88 2.88 2h1lC1 ASN 458 HB3 -0.08 0.02 0.03 -0.04 2.79 2.71 2h1lC1 ASN 458 HD21 0.01 0.03 0.02 -0.04 7.03 7.05 2h1lC1 ASN 458 HD22 0.00 0.00 0.01 -0.04 7.74 7.71 2h1lC1 PHE 459 H 0.25 0.16 -0.70 -0.55 8.34 7.49 2h1lC1 PHE 459 HA -0.01 0.16 0.59 -0.75 4.62 4.61 2h1lC1 PHE 459 HB2 -0.02 0.13 0.08 -0.04 3.15 3.29 2h1lC1 PHE 459 HB3 -0.02 0.02 -0.04 -0.04 3.06 2.97 2h1lC1 PHE 459 HD2 -0.06 0.01 -0.03 -0.04 7.28 7.15 2h1lC1 PHE 459 HE2 -0.21 -0.01 -0.02 -0.04 7.38 7.10 2h1lC1 PHE 459 HZ -1.37 0.03 -0.06 -0.04 7.32 5.89 2h1lC1 GLU 460 H 0.15 0.37 0.11 -0.55 8.60 8.67 2h1lC1 GLU 460 HA 0.11 0.03 0.45 -0.75 4.29 4.12 2h1lC1 GLU 460 HB2 0.08 0.08 0.25 -0.04 2.09 2.46 2h1lC1 GLU 460 HB3 0.10 -0.02 -0.04 -0.04 1.99 1.99 2h1lC1 GLU 460 HG2 0.07 -0.02 0.08 -0.04 2.34 2.43 2h1lC1 GLU 460 HG3 0.06 0.13 0.11 -0.04 2.34 2.60 2h1lC1 LEU 461 H 0.09 0.54 -0.21 -0.55 8.37 8.25 2h1lC1 LEU 461 HA 0.24 0.05 0.36 -0.75 4.35 4.25 2h1lC1 LEU 461 HB2 0.10 0.06 0.01 -0.04 1.64 1.77 2h1lC1 LEU 461 HB3 0.27 0.01 -0.06 -0.04 1.64 1.82 2h1lC1 LEU 461 HG 0.01 0.07 -0.09 -0.04 1.64 1.59 2h1lC1 LEU 461 HD13 -0.26 -0.02 -0.12 -0.04 0.93 0.49 2h1lC1 LEU 461 HD23 0.00 -0.00 -0.11 -0.04 0.89 0.74 2h1lC1 GLY 462 H 0.05 0.28 -0.29 -0.55 8.43 7.93 2h1lC1 GLY 462 HA2 0.05 -0.05 0.23 -0.51 4.01 3.73 2h1lC1 GLY 462 HA3 -0.00 0.18 0.33 -0.51 4.01 4.00 2h1lC1 VAL 463 H 0.09 0.27 -0.77 -0.55 8.24 7.27 2h1lC1 VAL 463 HA 0.03 0.02 0.39 -0.75 4.13 3.82 2h1lC1 VAL 463 HB 0.06 0.07 -0.03 -0.04 2.12 2.18 2h1lC1 VAL 463 HG13 0.02 -0.02 0.03 -0.04 0.97 0.96 2h1lC1 VAL 463 HG23 0.07 -0.01 0.05 -0.04 0.95 1.02 2h1lC1 ALA 464 H 0.08 0.68 -0.30 -0.55 8.40 8.31 2h1lC1 ALA 464 HA -0.09 0.08 0.47 -0.75 4.34 4.05 2h1lC1 ALA 464 HB3 -0.17 -0.02 0.00 -0.04 1.41 1.19 2h1lC1 ILE 465 H 0.01 0.35 -0.32 -0.55 8.25 7.74 2h1lC1 ILE 465 HA -0.02 -0.06 0.31 -0.75 4.18 3.66 2h1lC1 ILE 465 HB 0.00 0.08 0.05 -0.04 1.89 1.98 2h1lC1 ILE 465 HG12 0.01 -0.09 -0.01 -0.04 1.49 1.36 2h1lC1 ILE 465 HG13 0.03 0.04 0.04 -0.04 1.21 1.27 2h1lC1 ILE 465 HG23 -0.01 -0.02 -0.19 -0.04 0.93 0.67 2h1lC1 ILE 465 HD13 -0.00 0.02 -0.09 -0.04 0.88 0.77 2h1lC1 ASP 466 H -0.03 0.07 0.17 -0.55 8.40 8.06 2h1lC1 ASP 466 HA -0.02 0.05 0.35 -0.75 4.63 4.25 2h1lC1 ASP 466 HB2 -0.01 0.17 -0.10 -0.04 2.71 2.73 2h1lC1 ASP 466 HB3 -0.01 -0.01 0.12 -0.04 2.70 2.76 2h1lC1 GLN 467 H -0.08 0.27 -0.12 -0.55 8.47 8.00 2h1lC1 GLN 467 HA -0.00 0.16 0.92 -0.75 4.36 4.69 2h1lC1 GLN 467 HB2 -0.14 0.07 0.00 -0.04 2.15 2.04 2h1lC1 GLN 467 HB3 -0.06 -0.05 0.09 -0.04 2.02 1.96 2h1lC1 GLN 467 HG2 -0.05 0.14 -0.46 -0.04 2.40 1.98 2h1lC1 GLN 467 HG3 -0.07 -0.13 -0.01 -0.04 2.39 2.14 2h1lC1 GLN 467 HE21 -0.01 -0.14 -0.09 -0.04 6.97 6.69 2h1lC1 GLN 467 HE22 -0.02 0.26 -0.22 -0.04 7.69 7.68 2h1lC1 PHE 468 H 0.13 0.28 0.27 -0.55 8.34 8.46 2h1lC1 PHE 468 HA -0.08 0.07 0.58 -0.75 4.62 4.45 2h1lC1 PHE 468 HB2 -0.05 0.01 0.15 -0.04 3.15 3.22 2h1lC1 PHE 468 HB3 -0.05 0.00 0.06 -0.04 3.06 3.03 2h1lC1 PHE 468 HD2 -0.06 -0.06 -0.11 -0.04 7.28 7.02 2h1lC1 PHE 468 HE2 -0.11 -0.05 0.01 -0.04 7.38 7.19 2h1lC1 PHE 468 HZ -0.15 -0.04 -0.07 -0.04 7.32 7.02 2h1lC1 LEU 469 H 0.11 0.11 0.06 -0.55 8.37 8.09 2h1lC1 LEU 469 HA -0.23 0.42 0.73 -0.75 4.35 4.52 2h1lC1 LEU 469 HB2 -0.13 0.03 -0.07 -0.04 1.64 1.43 2h1lC1 LEU 469 HB3 0.04 -0.00 -0.23 -0.04 1.64 1.40 2h1lC1 LEU 469 HG -0.02 -0.06 -0.39 -0.04 1.64 1.13 2h1lC1 LEU 469 HD13 0.21 -0.03 -0.21 -0.04 0.93 0.86 2h1lC1 LEU 469 HD23 0.14 -0.01 -0.23 -0.04 0.89 0.75 2h1lC1 VAL 470 H -0.20 0.64 0.44 -0.55 8.24 8.57 2h1lC1 VAL 470 HA -0.17 0.04 0.94 -0.75 4.13 4.19 2h1lC1 VAL 470 HB -0.24 0.23 -0.09 -0.04 2.12 1.97 2h1lC1 VAL 470 HG13 -0.54 -0.04 -0.24 -0.04 0.97 0.11 2h1lC1 VAL 470 HG23 -0.30 0.01 -0.16 -0.04 0.95 0.45 2h1lC1 VAL 471 H -0.19 0.62 0.28 -0.55 8.24 8.40 2h1lC1 VAL 471 HA -0.14 0.29 1.10 -0.75 4.13 4.62 2h1lC1 VAL 471 HB -0.08 -0.07 0.08 -0.04 2.12 2.01 2h1lC1 VAL 471 HG13 -0.09 -0.03 -0.31 -0.04 0.97 0.50 2h1lC1 VAL 471 HG23 -0.11 0.01 -0.18 -0.04 0.95 0.63 2h1lC1 PHE 472 H 0.08 0.69 0.23 -0.55 8.34 8.79 2h1lC1 PHE 472 HA 0.07 0.11 0.79 -0.75 4.62 4.84 2h1lC1 PHE 472 HB2 0.15 0.09 0.26 -0.04 3.15 3.61 2h1lC1 PHE 472 HB3 0.08 -0.13 0.00 -0.04 3.06 2.97 2h1lC1 PHE 472 HD2 0.21 0.00 -0.11 -0.04 7.28 7.35 2h1lC1 PHE 472 HE2 0.23 0.04 -0.16 -0.04 7.38 7.45 2h1lC1 PHE 472 HZ 0.21 0.05 -0.14 -0.04 7.32 7.41 2h1lC1 GLU 473 H 0.13 0.32 0.18 -0.55 8.60 8.68 2h1lC1 GLU 473 HA 0.04 0.07 0.20 -0.75 4.29 3.85 2h1lC1 GLU 473 HB2 0.04 0.11 0.10 -0.04 2.09 2.30 2h1lC1 GLU 473 HB3 0.05 -0.11 0.21 -0.04 1.99 2.10 2h1lC1 GLU 473 HG2 0.02 0.05 0.02 -0.04 2.34 2.38 2h1lC1 GLU 473 HG3 0.03 -0.19 0.08 -0.04 2.34 2.22 2h1lC1 ASP 474 H 0.04 0.05 0.08 -0.55 8.40 8.02 2h1lC1 ASP 474 HA 0.04 0.15 0.23 -0.75 4.63 4.30 2h1lC1 ASP 474 HB2 0.03 -0.04 0.09 -0.04 2.71 2.74 2h1lC1 ASP 474 HB3 0.02 -0.04 -0.13 -0.04 2.70 2.52 2h1lC1 VAL 475 H 0.03 -0.08 -0.27 -0.55 8.24 7.37 2h1lC1 VAL 475 HA -0.04 -0.18 0.27 -0.75 4.13 3.43 2h1lC1 VAL 475 HB -0.06 -0.12 -0.14 -0.04 2.12 1.76 2h1lC1 VAL 475 HG13 0.03 -0.02 -0.22 -0.04 0.97 0.72 2h1lC1 VAL 475 HG23 0.04 0.11 -0.20 -0.04 0.95 0.86 2h1lC1 LYS 476 H -0.10 -0.01 0.03 -0.55 8.42 7.78 2h1lC1 LYS 476 HA -0.48 0.14 0.49 -0.75 4.32 3.72 2h1lC1 LYS 476 HB2 -0.10 -0.12 0.13 -0.04 1.87 1.74 2h1lC1 LYS 476 HB3 -0.17 0.00 -0.01 -0.04 1.79 1.57 2h1lC1 LYS 476 HG2 0.01 0.46 0.00 -0.04 1.46 1.88 2h1lC1 LYS 476 HG3 -0.04 -0.02 -0.03 -0.04 1.46 1.33 2h1lC1 LYS 476 HD2 0.03 0.03 -0.05 -0.04 1.69 1.66 2h1lC1 LYS 476 HD3 -0.01 -0.13 -0.04 -0.04 1.68 1.46 2h1lC1 LYS 476 HE2 -0.02 -0.13 -0.08 -0.04 2.99 2.71 2h1lC1 LYS 476 HE3 0.02 0.15 -0.23 -0.04 2.99 2.88 2h1lC1 GLY 477 H -2.06 0.15 0.14 -0.55 8.43 6.11 2h1lC1 GLY 477 HA2 -0.23 0.09 0.85 -0.51 4.01 4.21 2h1lC1 GLY 477 HA3 -0.35 0.07 0.43 -0.51 4.01 3.64 2h1lC1 THR 478 H 0.11 0.32 0.30 -0.55 8.28 8.45 2h1lC1 THR 478 HA 0.16 0.11 0.81 -0.75 4.39 4.71 2h1lC1 THR 478 HB 0.01 0.19 -0.14 -0.04 4.32 4.34 2h1lC1 THR 478 HG23 0.02 0.00 -0.01 -0.04 1.22 1.19 2h1lC1 GLY 479 H 0.09 0.20 0.11 -0.55 8.43 8.28 2h1lC1 GLY 479 HA2 0.04 0.07 0.42 -0.51 4.01 4.03 2h1lC1 GLY 479 HA3 0.06 0.26 0.88 -0.51 4.01 4.71 2h1lC1 GLY 480 H 0.09 0.12 -0.38 -0.55 8.43 7.72 2h1lC1 GLY 480 HA2 -0.08 0.14 0.50 -0.51 4.01 4.06 2h1lC1 GLY 480 HA3 -0.27 0.15 0.31 -0.51 4.01 3.69 2h1lC1 GLU 481 H -0.00 0.54 -0.56 -0.55 8.60 8.03 2h1lC1 GLU 481 HA -0.01 0.13 0.56 -0.75 4.29 4.22 2h1lC1 GLU 481 HB2 0.01 0.08 0.05 -0.04 2.09 2.18 2h1lC1 GLU 481 HB3 0.01 0.06 0.07 -0.04 1.99 2.08 2h1lC1 GLU 481 HG2 0.03 0.05 0.01 -0.04 2.34 2.39 2h1lC1 GLU 481 HG3 0.04 -0.10 -0.13 -0.04 2.34 2.12 2h1lC1 SER 482 H -0.03 0.17 -0.02 -0.55 8.46 8.04 2h1lC1 SER 482 HA -0.01 0.17 0.60 -0.75 4.49 4.50 2h1lC1 SER 482 HB2 -0.02 0.02 0.03 -0.04 3.95 3.93 2h1lC1 SER 482 HB3 -0.02 0.05 0.08 -0.04 3.93 4.01 2h1lC1 ARG 483 H -0.06 0.02 -0.43 -0.55 8.46 7.43 2h1lC1 ARG 483 HA -0.04 0.20 0.65 -0.75 4.34 4.39 2h1lC1 ARG 483 HB2 -0.13 0.03 0.01 -0.04 1.90 1.76 2h1lC1 ARG 483 HB3 -0.09 0.00 0.08 -0.04 1.80 1.75 2h1lC1 ARG 483 HG2 -0.05 0.06 -0.03 -0.04 1.67 1.60 2h1lC1 ARG 483 HG3 -0.07 -0.07 -0.05 -0.04 1.67 1.44 2h1lC1 ARG 483 HD2 -0.12 0.12 0.06 -0.04 3.22 3.24 2h1lC1 ARG 483 HD3 -0.08 -0.04 0.04 -0.04 3.22 3.10 2h1lC1 ASP 484 H -0.03 0.10 -0.70 -0.55 8.40 7.22 2h1lC1 ASP 484 HA -0.01 0.04 0.22 -0.75 4.63 4.12 2h1lC1 ASP 484 HB2 -0.02 0.23 0.15 -0.04 2.71 3.03 2h1lC1 ASP 484 HB3 -0.01 -0.06 0.15 -0.04 2.70 2.74 2h1lC1 LEU 485 H -0.06 0.37 -0.00 -0.55 8.37 8.14 2h1lC1 LEU 485 HA -0.00 0.22 0.84 -0.75 4.35 4.65 2h1lC1 LEU 485 HB2 -0.35 -0.07 -0.02 -0.04 1.64 1.16 2h1lC1 LEU 485 HB3 -0.15 -0.03 -0.10 -0.04 1.64 1.32 2h1lC1 LEU 485 HG -0.18 -0.05 -0.30 -0.04 1.64 1.06 2h1lC1 LEU 485 HD13 -0.48 -0.03 -0.14 -0.04 0.93 0.24 2h1lC1 LEU 485 HD23 -0.07 0.05 -0.24 -0.04 0.89 0.59 2h1lC1 PRO 486 HA 0.06 -0.02 0.38 -0.51 4.44 4.35 2h1lC1 PRO 486 HB2 0.07 -0.04 0.05 -0.04 2.28 2.32 2h1lC1 PRO 486 HB3 0.04 0.05 0.04 -0.04 2.02 2.11 2h1lC1 PRO 486 HG2 0.04 0.03 0.05 -0.04 2.03 2.11 2h1lC1 PRO 486 HG3 0.03 0.06 0.02 -0.04 2.03 2.10 2h1lC1 PRO 486 HD2 0.09 0.05 0.15 -0.04 3.68 3.92 2h1lC1 PRO 486 HD3 0.04 0.32 0.17 -0.04 3.65 4.13 2h1lC1 SER 487 H 0.08 0.06 0.19 -0.55 8.46 8.25 2h1lC1 SER 487 HA 0.16 0.15 0.59 -0.75 4.49 4.65 2h1lC1 SER 487 HB2 0.07 -0.01 0.26 -0.04 3.95 4.22 2h1lC1 SER 487 HB3 0.09 -0.08 0.17 -0.04 3.93 4.07 2h1lC1 GLY 488 H -0.09 0.71 0.18 -0.55 8.43 8.68 2h1lC1 GLY 488 HA2 -0.03 0.21 0.80 -0.51 4.01 4.48 2h1lC1 GLY 488 HA3 -0.07 -0.09 0.31 -0.51 4.01 3.65 2h1lC1 GLN 489 H -0.05 0.23 0.16 -0.55 8.47 8.27 2h1lC1 GLN 489 HA -0.06 0.16 0.81 -0.75 4.36 4.53 2h1lC1 GLN 489 HB2 -0.04 0.12 0.06 -0.04 2.15 2.25 2h1lC1 GLN 489 HB3 -0.05 -0.01 0.14 -0.04 2.02 2.06 2h1lC1 GLN 489 HG2 -0.03 -0.01 -0.08 -0.04 2.40 2.24 2h1lC1 GLN 489 HG3 -0.03 -0.01 -0.02 -0.04 2.39 2.29 2h1lC1 GLN 489 HE21 -0.02 0.00 -0.14 -0.04 6.97 6.78 2h1lC1 GLN 489 HE22 -0.02 -0.02 -0.25 -0.04 7.69 7.36 2h1lC1 GLY 490 H -0.10 0.08 -0.16 -0.55 8.43 7.71 2h1lC1 GLY 490 HA2 -0.09 0.39 0.31 -0.51 4.01 4.10 2h1lC1 GLY 490 HA3 -0.11 -0.12 0.25 -0.51 4.01 3.52 2h1lC1 ILE 491 H -0.13 0.41 -0.19 -0.55 8.25 7.80 2h1lC1 ILE 491 HA -0.07 0.07 0.28 -0.75 4.18 3.71 2h1lC1 ILE 491 HB -0.08 -0.09 0.10 -0.04 1.89 1.78 2h1lC1 ILE 491 HG12 0.00 0.06 -0.06 -0.04 1.49 1.46 2h1lC1 ILE 491 HG13 -0.12 0.08 -0.22 -0.04 1.21 0.91 2h1lC1 ILE 491 HG23 0.01 0.04 -0.11 -0.04 0.93 0.83 2h1lC1 ILE 491 HD13 -0.02 -0.02 -0.06 -0.04 0.88 0.75 2h1lC1 ASN 492 H -0.07 0.11 -0.45 -0.55 8.53 7.57 2h1lC1 ASN 492 HA -0.05 -0.00 0.29 -0.75 4.76 4.24 2h1lC1 ASN 492 HB2 -0.06 0.05 0.02 -0.04 2.88 2.86 2h1lC1 ASN 492 HB3 -0.05 0.00 -0.01 -0.04 2.79 2.70 2h1lC1 ASN 492 HD21 -0.02 -0.04 -0.02 -0.04 7.03 6.91 2h1lC1 ASN 492 HD22 -0.04 0.10 0.03 -0.04 7.74 7.79 2h1lC1 ASN 493 H -0.11 0.72 -0.24 -0.55 8.53 8.36 2h1lC1 ASN 493 HA -0.12 -0.03 0.51 -0.75 4.76 4.37 2h1lC1 ASN 493 HB2 -0.15 0.29 0.28 -0.04 2.88 3.26 2h1lC1 ASN 493 HB3 -0.18 -0.12 0.02 -0.04 2.79 2.47 2h1lC1 ASN 493 HD21 -0.06 -0.21 -0.12 -0.04 7.03 6.60 2h1lC1 ASN 493 HD22 -0.09 0.46 0.02 -0.04 7.74 8.10 2h1lC1 LEU 494 H -0.18 0.39 -0.06 -0.55 8.37 7.97 2h1lC1 LEU 494 HA -0.33 0.03 0.35 -0.75 4.35 3.65 2h1lC1 LEU 494 HB2 -0.13 0.10 0.11 -0.04 1.64 1.68 2h1lC1 LEU 494 HB3 -0.22 0.04 -0.07 -0.04 1.64 1.35 2h1lC1 LEU 494 HG -0.28 -0.01 -0.08 -0.04 1.64 1.23 2h1lC1 LEU 494 HD13 -0.02 0.00 -0.09 -0.04 0.93 0.78 2h1lC1 LEU 494 HD23 -0.84 -0.00 -0.08 -0.04 0.89 -0.07 2h1lC1 ASP 495 H -0.11 0.45 -0.20 -0.55 8.40 7.98 2h1lC1 ASP 495 HA -0.11 0.04 0.24 -0.75 4.63 4.05 2h1lC1 ASP 495 HB2 -0.06 -0.03 0.04 -0.04 2.71 2.62 2h1lC1 ASP 495 HB3 -0.07 0.18 0.00 -0.04 2.70 2.78 2h1lC1 ASN 496 H -0.13 0.37 -0.66 -0.55 8.53 7.56 2h1lC1 ASN 496 HA -0.07 0.03 0.61 -0.75 4.76 4.57 2h1lC1 ASN 496 HB2 -0.14 0.26 0.16 -0.04 2.88 3.12 2h1lC1 ASN 496 HB3 -0.10 -0.09 0.08 -0.04 2.79 2.64 2h1lC1 ASN 496 HD21 -0.06 -0.09 -0.02 -0.04 7.03 6.82 2h1lC1 ASN 496 HD22 -0.09 -0.02 0.08 -0.04 7.74 7.66 2h1lC1 LEU 497 H -0.21 0.48 -0.22 -0.55 8.37 7.88 2h1lC1 LEU 497 HA -0.15 0.07 0.72 -0.75 4.35 4.23 2h1lC1 LEU 497 HB2 -0.38 0.09 0.17 -0.04 1.64 1.48 2h1lC1 LEU 497 HB3 -0.66 -0.07 0.15 -0.04 1.64 1.02 2h1lC1 LEU 497 HG -0.37 0.27 -0.02 -0.04 1.64 1.48 2h1lC1 LEU 497 HD13 -0.57 -0.02 -0.09 -0.04 0.93 0.21 2h1lC1 LEU 497 HD23 -0.84 -0.01 -0.12 -0.04 0.89 -0.11 2h1lC1 ARG 498 H -0.07 0.27 -0.69 -0.55 8.46 7.42 2h1lC1 ARG 498 HA -0.11 0.12 0.34 -0.75 4.34 3.94 2h1lC1 ARG 498 HB2 -0.04 -0.08 0.12 -0.04 1.90 1.86 2h1lC1 ARG 498 HB3 -0.05 -0.00 -0.00 -0.04 1.80 1.70 2h1lC1 ARG 498 HG2 -0.09 -0.02 0.02 -0.04 1.67 1.55 2h1lC1 ARG 498 HG3 -0.08 0.47 0.08 -0.04 1.67 2.11 2h1lC1 ARG 498 HD2 -0.04 -0.05 0.07 -0.04 3.22 3.16 2h1lC1 ARG 498 HD3 -0.04 -0.05 0.02 -0.04 3.22 3.11 2h1lC1 ASP 499 H 0.01 0.16 -0.06 -0.55 8.40 7.97 2h1lC1 ASP 499 HA -0.03 -0.00 0.33 -0.75 4.63 4.18 2h1lC1 ASP 499 HB2 -0.07 0.04 -0.00 -0.04 2.71 2.64 2h1lC1 ASP 499 HB3 -0.03 -0.00 0.08 -0.04 2.70 2.72 2h1lC1 TYR 500 H 0.19 0.06 -0.83 -0.55 8.29 7.16 2h1lC1 TYR 500 HA -0.07 0.01 0.47 -0.75 4.56 4.22 2h1lC1 TYR 500 HB2 -0.34 0.28 0.14 -0.04 3.06 3.10 2h1lC1 TYR 500 HB3 -0.83 0.05 -0.07 -0.04 2.98 2.09 2h1lC1 TYR 500 HD2 -0.57 -0.02 -0.06 -0.04 7.15 6.46 2h1lC1 TYR 500 HE2 -0.05 -0.00 -0.07 -0.04 6.85 6.69 2h1lC1 LEU 501 H -0.07 0.47 0.03 -0.55 8.37 8.25 2h1lC1 LEU 501 HA -0.12 0.15 0.41 -0.75 4.35 4.03 2h1lC1 LEU 501 HB2 -0.25 0.01 0.09 -0.04 1.64 1.45 2h1lC1 LEU 501 HB3 -0.53 -0.01 0.01 -0.04 1.64 1.07 2h1lC1 LEU 501 HG -0.26 0.10 0.01 -0.04 1.64 1.46 2h1lC1 LEU 501 HD13 -0.35 -0.05 -0.14 -0.04 0.93 0.35 2h1lC1 LEU 501 HD23 -0.57 -0.01 -0.12 -0.04 0.89 0.16 2h1lC1 ASP 502 H -0.03 0.27 -0.23 -0.55 8.40 7.87 2h1lC1 ASP 502 HA -0.01 0.01 0.45 -0.75 4.63 4.33 2h1lC1 ASP 502 HB2 -0.02 0.02 0.20 -0.04 2.71 2.87 2h1lC1 ASP 502 HB3 -0.01 -0.21 0.11 -0.04 2.70 2.56 2h1lC1 GLY 503 H 0.01 0.18 0.06 -0.55 8.43 8.13 2h1lC1 GLY 503 HA2 0.05 0.15 0.24 -0.51 4.01 3.94 2h1lC1 GLY 503 HA3 0.05 0.27 0.81 -0.51 4.01 4.63 2h1lC1 SER 504 H -0.00 -0.08 -0.01 -0.55 8.46 7.83 2h1lC1 SER 504 HA -0.01 0.15 0.48 -0.75 4.49 4.36 2h1lC1 SER 504 HB2 -0.01 -0.12 0.17 -0.04 3.95 3.95 2h1lC1 SER 504 HB3 -0.01 0.00 -0.00 -0.04 3.93 3.88 2h1lC1 VAL 505 H -0.03 -0.04 0.05 -0.55 8.24 7.67 2h1lC1 VAL 505 HA -0.03 0.16 0.66 -0.75 4.13 4.18 2h1lC1 VAL 505 HB -0.04 0.07 0.01 -0.04 2.12 2.12 2h1lC1 VAL 505 HG13 -0.02 -0.01 -0.01 -0.04 0.97 0.88 2h1lC1 VAL 505 HG23 -0.05 -0.02 -0.05 -0.04 0.95 0.79 2h1lC1 LYS 506 H -0.04 0.08 0.09 -0.55 8.42 8.00 2h1lC1 LYS 506 HA -0.04 0.13 0.41 -0.75 4.32 4.07 2h1lC1 LYS 506 HB2 -0.03 -0.08 -0.00 -0.04 1.87 1.71 2h1lC1 LYS 506 HB3 -0.03 0.07 -0.30 -0.04 1.79 1.49 2h1lC1 LYS 506 HG2 -0.02 0.10 -0.14 -0.04 1.46 1.36 2h1lC1 LYS 506 HG3 -0.02 -0.07 0.04 -0.04 1.46 1.37 2h1lC1 LYS 506 HD2 -0.02 0.03 0.04 -0.04 1.69 1.70 2h1lC1 LYS 506 HD3 -0.02 0.02 0.03 -0.04 1.68 1.67 2h1lC1 LYS 506 HE2 -0.02 -0.07 0.03 -0.04 2.99 2.89 2h1lC1 LYS 506 HE3 -0.02 0.03 0.01 -0.04 2.99 2.97 2h1lC1 VAL 507 H -0.09 0.58 0.29 -0.55 8.24 8.48 2h1lC1 VAL 507 HA -0.18 0.09 0.70 -0.75 4.13 3.99 2h1lC1 VAL 507 HB -0.26 0.02 -0.06 -0.04 2.12 1.78 2h1lC1 VAL 507 HG13 -1.02 -0.08 -0.01 -0.04 0.97 -0.18 2h1lC1 VAL 507 HG23 -0.41 0.01 -0.02 -0.04 0.95 0.49 2h1lC1 ASN 508 H -0.11 0.12 0.07 -0.55 8.53 8.07 2h1lC1 ASN 508 HA -0.02 0.25 0.99 -0.75 4.76 5.22 2h1lC1 ASN 508 HB2 -0.01 -0.06 0.20 -0.04 2.88 2.97 2h1lC1 ASN 508 HB3 -0.01 0.01 0.04 -0.04 2.79 2.78 2h1lC1 ASN 508 HD21 -0.03 0.05 -0.03 -0.04 7.03 6.98 2h1lC1 ASN 508 HD22 -0.02 -0.05 0.04 -0.04 7.74 7.67 2h1lC1 LEU 509 H 0.01 0.34 0.06 -0.55 8.37 8.23 2h1lC1 LEU 509 HA 0.09 0.04 0.64 -0.75 4.35 4.37 2h1lC1 LEU 509 HB2 0.04 -0.01 0.09 -0.04 1.64 1.71 2h1lC1 LEU 509 HB3 0.08 0.04 -0.10 -0.04 1.64 1.62 2h1lC1 LEU 509 HG 0.10 -0.05 -0.25 -0.04 1.64 1.40 2h1lC1 LEU 509 HD13 0.11 0.01 -0.21 -0.04 0.93 0.80 2h1lC1 LEU 509 HD23 0.41 0.01 -0.23 -0.04 0.89 1.04 2h1lC1 GLU 510 H -0.03 0.15 0.22 -0.55 8.60 8.40 2h1lC1 GLU 510 HA -0.09 0.02 0.53 -0.75 4.29 3.99 2h1lC1 GLU 510 HB2 -0.10 0.04 0.01 -0.04 2.09 2.00 2h1lC1 GLU 510 HB3 -0.20 0.02 0.05 -0.04 1.99 1.81 2h1lC1 GLU 510 HG2 -0.46 -0.05 -0.39 -0.04 2.34 1.40 2h1lC1 GLU 510 HG3 -0.16 0.01 -0.20 -0.04 2.34 1.94 2h1lC1 LYS 511 H -0.15 0.27 -0.04 -0.55 8.42 7.94 2h1lC1 LYS 511 HA -0.30 0.08 0.64 -0.75 4.32 3.98 2h1lC1 LYS 511 HB2 -0.05 0.15 -0.25 -0.04 1.87 1.68 2h1lC1 LYS 511 HB3 -0.04 0.03 -0.04 -0.04 1.79 1.71 2h1lC1 LYS 511 HG2 0.01 -0.02 -0.19 -0.04 1.46 1.22 2h1lC1 LYS 511 HG3 0.01 -0.12 0.06 -0.04 1.46 1.38 2h1lC1 LYS 511 HD2 0.03 -0.05 -0.08 -0.04 1.69 1.55 2h1lC1 LYS 511 HD3 0.01 0.13 -0.16 -0.04 1.68 1.62 2h1lC1 LYS 511 HE2 -0.00 -0.02 -0.08 -0.04 2.99 2.84 2h1lC1 LYS 511 HE3 0.01 -0.06 -0.07 -0.04 2.99 2.82 2h1lC1 LYS 512 H 0.05 0.18 0.10 -0.55 8.42 8.20 2h1lC1 LYS 512 HA 0.27 0.02 0.32 -0.75 4.32 4.18 2h1lC1 LYS 512 HB2 0.12 -0.00 0.17 -0.04 1.87 2.11 2h1lC1 LYS 512 HB3 0.08 0.01 -0.03 -0.04 1.79 1.81 2h1lC1 LYS 512 HG2 0.03 0.28 -0.22 -0.04 1.46 1.51 2h1lC1 LYS 512 HG3 0.07 -0.07 0.19 -0.04 1.46 1.61 2h1lC1 LYS 512 HD2 0.06 -0.05 0.03 -0.04 1.69 1.68 2h1lC1 LYS 512 HD3 0.04 0.01 -0.04 -0.04 1.68 1.65 2h1lC1 LYS 512 HE2 0.04 -0.04 0.02 -0.04 2.99 2.97 2h1lC1 LYS 512 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.95 2h1lC1 HIS 513 H -0.24 0.03 -0.39 -0.55 8.41 7.26 2h1lC1 HIS 513 HA 0.05 -0.03 0.20 -0.75 4.63 4.10 2h1lC1 HIS 513 HB2 0.11 0.26 -0.09 -0.04 3.26 3.50 2h1lC1 HIS 513 HB3 0.09 -0.00 0.09 -0.04 3.20 3.33 2h1lC1 HIS 513 HD2 0.14 0.03 -0.17 -0.04 6.97 6.92 2h1lC1 HIS 513 HE1 0.13 0.01 -0.02 -0.04 7.75 7.82 2h1lC1 LEU 514 H 0.04 0.42 -0.75 -0.55 8.37 7.53 2h1lC1 LEU 514 HA 0.03 0.09 0.86 -0.75 4.35 4.58 2h1lC1 LEU 514 HB2 0.05 -0.02 -0.02 -0.04 1.64 1.62 2h1lC1 LEU 514 HB3 0.04 0.06 0.09 -0.04 1.64 1.79 2h1lC1 LEU 514 HG 0.01 0.00 -0.40 -0.04 1.64 1.22 2h1lC1 LEU 514 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.83 2h1lC1 LEU 514 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 2h1lC1 ASN 515 H -0.00 0.15 0.05 -0.55 8.53 8.18 2h1lC1 ASN 515 HA -0.04 -0.03 0.47 -0.75 4.76 4.41 2h1lC1 ASN 515 HB2 -0.02 -0.03 0.06 -0.04 2.88 2.85 2h1lC1 ASN 515 HB3 -0.01 0.02 0.10 -0.04 2.79 2.86 2h1lC1 ASN 515 HD21 -0.01 0.02 -0.26 -0.04 7.03 6.73 2h1lC1 ASN 515 HD22 -0.02 -0.05 -0.13 -0.04 7.74 7.50 2h1lC1 LYS 516 H -0.02 0.20 0.27 -0.55 8.42 8.32 2h1lC1 LYS 516 HA -0.00 0.16 0.76 -0.75 4.32 4.47 2h1lC1 LYS 516 HB2 -0.00 0.05 0.08 -0.04 1.87 1.95 2h1lC1 LYS 516 HB3 0.00 -0.02 0.19 -0.04 1.79 1.92 2h1lC1 LYS 516 HG2 0.01 -0.00 0.01 -0.04 1.46 1.43 2h1lC1 LYS 516 HG3 0.01 0.05 -0.28 -0.04 1.46 1.20 2h1lC1 LYS 516 HD2 0.01 0.01 -0.02 -0.04 1.69 1.65 2h1lC1 LYS 516 HD3 0.01 -0.01 0.02 -0.04 1.68 1.65 2h1lC1 LYS 516 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2h1lC1 LYS 516 HE3 0.02 -0.00 -0.04 -0.04 2.99 2.92 2h1lC1 ARG 517 H -0.01 0.14 0.02 -0.55 8.46 8.06 2h1lC1 ARG 517 HA -0.01 0.11 0.60 -0.75 4.34 4.28 2h1lC1 ARG 517 HB2 -0.00 -0.03 -0.28 -0.04 1.90 1.54 2h1lC1 ARG 517 HB3 0.00 -0.05 0.03 -0.04 1.80 1.74 2h1lC1 ARG 517 HG2 -0.00 -0.05 -0.01 -0.04 1.67 1.57 2h1lC1 ARG 517 HG3 -0.01 -0.03 0.00 -0.04 1.67 1.60 2h1lC1 ARG 517 HD2 -0.01 -0.01 0.07 -0.04 3.22 3.23 2h1lC1 ARG 517 HD3 -0.00 0.43 0.43 -0.04 3.22 4.03 2h1lC1 THR 518 H -0.01 0.26 -0.02 -0.55 8.28 7.96 2h1lC1 THR 518 HA -0.02 0.23 0.94 -0.75 4.39 4.78 2h1lC1 THR 518 HB -0.01 -0.01 0.16 -0.04 4.32 4.41 2h1lC1 THR 518 HG23 -0.02 -0.01 -0.15 -0.04 1.22 1.00 2h1lC1 GLN 519 H -0.01 0.15 0.03 -0.55 8.47 8.09 2h1lC1 GLN 519 HA -0.02 0.21 0.95 -0.75 4.36 4.75 2h1lC1 GLN 519 HB2 -0.02 0.10 0.16 -0.04 2.15 2.35 2h1lC1 GLN 519 HB3 -0.01 -0.08 -0.08 -0.04 2.02 1.81 2h1lC1 GLN 519 HG2 0.01 -0.15 -0.16 -0.04 2.40 2.05 2h1lC1 GLN 519 HG3 -0.01 0.29 -0.48 -0.04 2.39 2.14 2h1lC1 GLN 519 HE21 -0.06 -0.36 0.19 -0.04 6.97 6.70 2h1lC1 GLN 519 HE22 -0.08 0.26 -0.04 -0.04 7.69 7.79 2h1lC1 ILE 520 H -0.02 0.00 0.17 -0.55 8.25 7.85 2h1lC1 ILE 520 HA -0.01 0.00 0.78 -0.75 4.18 4.20 2h1lC1 ILE 520 HB 0.01 0.17 -0.02 -0.04 1.89 2.01 2h1lC1 ILE 520 HG12 -0.02 0.03 0.11 -0.04 1.49 1.56 2h1lC1 ILE 520 HG13 -0.02 0.09 0.05 -0.04 1.21 1.29 2h1lC1 ILE 520 HG23 -0.01 0.03 -0.18 -0.04 0.93 0.72 2h1lC1 ILE 520 HD13 -0.02 0.03 0.16 -0.04 0.88 1.00 2h1lC1 PHE 521 H 0.13 0.04 0.17 -0.55 8.34 8.13 2h1lC1 PHE 521 HA 0.03 -0.02 0.35 -0.75 4.62 4.22 2h1lC1 PHE 521 HB2 -0.02 -0.23 0.16 -0.04 3.15 3.02 2h1lC1 PHE 521 HB3 0.10 0.49 0.14 -0.04 3.06 3.75 2h1lC1 PHE 521 HD2 0.25 0.08 -0.16 -0.04 7.28 7.41 2h1lC1 PHE 521 HE2 0.31 -0.05 -0.11 -0.04 7.38 7.48 2h1lC1 PHE 521 HZ 0.31 -0.12 -0.10 -0.04 7.32 7.36 2h1lC1 PRO 522 HA -0.12 0.14 0.48 -0.51 4.44 4.42 2h1lC1 PRO 522 HB2 -0.26 0.09 -0.19 -0.04 2.28 1.88 2h1lC1 PRO 522 HB3 -0.23 0.17 0.04 -0.04 2.02 1.97 2h1lC1 PRO 522 HG2 -0.63 -0.09 -0.12 -0.04 2.03 1.15 2h1lC1 PRO 522 HG3 -0.37 0.05 -0.09 -0.04 2.03 1.58 2h1lC1 PRO 522 HD2 -1.29 -0.11 0.12 -0.04 3.68 2.36 2h1lC1 PRO 522 HD3 -0.32 0.13 0.15 -0.04 3.65 3.57 2h1lC1 PRO 523 HA 0.02 0.11 0.55 -0.51 4.44 4.61 2h1lC1 PRO 523 HB2 -0.27 0.06 0.31 -0.04 2.28 2.35 2h1lC1 PRO 523 HB3 -0.07 -0.00 0.24 -0.04 2.02 2.14 2h1lC1 PRO 523 HG2 -0.38 -0.11 0.07 -0.04 2.03 1.57 2h1lC1 PRO 523 HG3 -0.32 0.14 0.22 -0.04 2.03 2.03 2h1lC1 PRO 523 HD2 -0.31 0.34 0.37 -0.04 3.68 4.03 2h1lC1 PRO 523 HD3 -0.16 0.13 0.25 -0.04 3.65 3.82 2h1lC1 GLY 524 H -0.79 0.48 0.38 -0.55 8.43 7.95 2h1lC1 GLY 524 HA2 -0.18 -0.09 0.36 -0.51 4.01 3.59 2h1lC1 GLY 524 HA3 -0.31 0.45 0.89 -0.51 4.01 4.53 2h1lC1 ILE 525 H -0.13 0.17 0.29 -0.55 8.25 8.04 2h1lC1 ILE 525 HA 0.05 0.23 1.11 -0.75 4.18 4.81 2h1lC1 ILE 525 HB -0.30 -0.06 0.06 -0.04 1.89 1.55 2h1lC1 ILE 525 HG12 -0.27 0.06 -0.11 -0.04 1.49 1.12 2h1lC1 ILE 525 HG13 -0.24 0.01 -0.07 -0.04 1.21 0.87 2h1lC1 ILE 525 HG23 -0.86 -0.00 -0.01 -0.04 0.93 0.02 2h1lC1 ILE 525 HD13 -1.14 -0.02 -0.07 -0.04 0.88 -0.38 2h1lC1 VAL 526 H 0.05 0.34 0.31 -0.55 8.24 8.40 2h1lC1 VAL 526 HA 0.23 0.22 0.87 -0.75 4.13 4.70 2h1lC1 VAL 526 HB 0.34 0.02 0.08 -0.04 2.12 2.52 2h1lC1 VAL 526 HG13 0.22 -0.01 -0.18 -0.04 0.97 0.96 2h1lC1 VAL 526 HG23 0.76 -0.01 -0.21 -0.04 0.95 1.45 2h1lC1 THR 527 H 0.08 0.57 0.31 -0.55 8.28 8.69 2h1lC1 THR 527 HA 0.11 0.47 1.08 -0.75 4.39 5.30 2h1lC1 THR 527 HB 0.04 -0.10 0.04 -0.04 4.32 4.26 2h1lC1 THR 527 HG23 -0.06 -0.02 -0.17 -0.04 1.22 0.93 2h1lC1 MET 528 H 0.09 0.35 0.37 -0.55 8.47 8.74 2h1lC1 MET 528 HA 0.09 0.14 0.52 -0.75 4.52 4.51 2h1lC1 MET 528 HB2 0.12 -0.16 0.23 -0.04 2.15 2.30 2h1lC1 MET 528 HB3 0.05 0.27 -0.01 -0.04 2.03 2.31 2h1lC1 MET 528 HG2 0.04 0.03 -0.36 -0.04 2.63 2.31 2h1lC1 MET 528 HG3 0.10 -0.01 -0.23 -0.04 2.56 2.38 2h1lC1 MET 528 HE3 0.05 -0.00 -0.18 -0.04 2.10 1.92 2h1lC1 ASN 529 H 0.33 0.09 0.16 -0.55 8.53 8.57 2h1lC1 ASN 529 HA 0.08 0.57 0.83 -0.75 4.76 5.48 2h1lC1 ASN 529 HB2 0.16 -0.05 -0.02 -0.04 2.88 2.93 2h1lC1 ASN 529 HB3 -0.04 -0.07 0.10 -0.04 2.79 2.74 2h1lC1 ASN 529 HD21 0.10 -0.03 -0.05 -0.04 7.03 7.01 2h1lC1 ASN 529 HD22 0.14 0.02 -0.03 -0.04 7.74 7.82 2h1lC1 GLU 530 H -0.05 0.13 0.01 -0.55 8.60 8.14 2h1lC1 GLU 530 HA 0.01 0.15 0.35 -0.75 4.29 4.05 2h1lC1 GLU 530 HB2 -0.10 -0.05 0.16 -0.04 2.09 2.06 2h1lC1 GLU 530 HB3 -0.05 0.02 0.15 -0.04 1.99 2.06 2h1lC1 GLU 530 HG2 -0.01 -0.05 -0.03 -0.04 2.34 2.21 2h1lC1 GLU 530 HG3 -0.02 0.02 0.02 -0.04 2.34 2.31 2h1lC1 TYR 531 H 0.19 0.77 0.34 -0.55 8.29 9.04 2h1lC1 TYR 531 HA 0.01 0.05 0.72 -0.75 4.56 4.59 2h1lC1 TYR 531 HB2 0.02 0.19 0.02 -0.04 3.06 3.25 2h1lC1 TYR 531 HB3 0.02 -0.15 0.15 -0.04 2.98 2.96 2h1lC1 TYR 531 HD2 0.01 0.02 -0.16 -0.04 7.15 6.97 2h1lC1 TYR 531 HE2 0.01 0.07 -0.23 -0.04 6.85 6.65 2h1lC1 SER 532 H 0.20 0.11 0.18 -0.55 8.46 8.41 2h1lC1 SER 532 HA 0.07 0.18 0.75 -0.75 4.49 4.74 2h1lC1 SER 532 HB2 0.05 0.01 -0.02 -0.04 3.95 3.95 2h1lC1 SER 532 HB3 0.06 -0.01 0.06 -0.04 3.93 4.00 2h1lC1 VAL 533 H 0.07 0.25 0.08 -0.55 8.24 8.09 2h1lC1 VAL 533 HA 0.09 0.14 0.74 -0.75 4.13 4.35 2h1lC1 VAL 533 HB 0.10 0.01 0.12 -0.04 2.12 2.30 2h1lC1 VAL 533 HG13 0.26 0.01 -0.16 -0.04 0.97 1.04 2h1lC1 VAL 533 HG23 0.07 0.03 -0.14 -0.04 0.95 0.87 2h1lC1 PRO 534 HA 0.03 0.04 0.41 -0.51 4.44 4.40 2h1lC1 PRO 534 HB2 0.01 -0.07 0.03 -0.04 2.28 2.21 2h1lC1 PRO 534 HB3 0.01 0.04 0.06 -0.04 2.02 2.08 2h1lC1 PRO 534 HG2 0.01 0.04 0.02 -0.04 2.03 2.06 2h1lC1 PRO 534 HG3 0.02 0.05 0.01 -0.04 2.03 2.08 2h1lC1 PRO 534 HD2 0.05 0.08 0.17 -0.04 3.68 3.93 2h1lC1 PRO 534 HD3 0.05 0.57 0.24 -0.04 3.65 4.46 2h1lC1 LYS 535 H 0.02 0.15 0.16 -0.55 8.42 8.20 2h1lC1 LYS 535 HA 0.03 0.14 0.36 -0.75 4.32 4.09 2h1lC1 LYS 535 HB2 0.01 0.05 0.15 -0.04 1.87 2.04 2h1lC1 LYS 535 HB3 0.01 -0.09 0.16 -0.04 1.79 1.83 2h1lC1 LYS 535 HG2 0.00 0.04 -0.28 -0.04 1.46 1.18 2h1lC1 LYS 535 HG3 0.01 0.05 -0.01 -0.04 1.46 1.47 2h1lC1 LYS 535 HD2 0.00 -0.01 0.02 -0.04 1.69 1.66 2h1lC1 LYS 535 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 2h1lC1 LYS 535 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.93 2h1lC1 LYS 535 HE3 0.00 0.03 -0.02 -0.04 2.99 2.96 2h1lC1 THR 536 H -0.00 0.04 -0.18 -0.55 8.28 7.58 2h1lC1 THR 536 HA -0.02 0.12 0.36 -0.75 4.39 4.10 2h1lC1 THR 536 HB -0.04 0.07 0.02 -0.04 4.32 4.33 2h1lC1 THR 536 HG23 -0.02 -0.00 0.02 -0.04 1.22 1.18 2h1lC1 LEU 537 H -0.00 0.26 -0.37 -0.55 8.37 7.71 2h1lC1 LEU 537 HA -0.13 0.15 0.64 -0.75 4.35 4.25 2h1lC1 LEU 537 HB2 -0.03 -0.09 -0.02 -0.04 1.64 1.46 2h1lC1 LEU 537 HB3 0.06 0.04 0.01 -0.04 1.64 1.70 2h1lC1 LEU 537 HG 0.07 0.06 -0.27 -0.04 1.64 1.45 2h1lC1 LEU 537 HD13 -0.19 -0.00 -0.18 -0.04 0.93 0.51 2h1lC1 LEU 537 HD23 0.10 -0.01 -0.07 -0.04 0.89 0.87 2h1lC1 GLN 538 H 0.07 0.61 -0.10 -0.55 8.47 8.51 2h1lC1 GLN 538 HA 0.43 0.01 0.23 -0.75 4.36 4.27 2h1lC1 GLN 538 HB2 0.12 0.03 -0.08 -0.04 2.15 2.18 2h1lC1 GLN 538 HB3 0.08 0.04 -0.03 -0.04 2.02 2.07 2h1lC1 GLN 538 HG2 0.07 -0.05 -0.05 -0.04 2.40 2.33 2h1lC1 GLN 538 HG3 0.12 0.10 -0.08 -0.04 2.39 2.49 2h1lC1 GLN 538 HE21 0.07 -0.04 -0.04 -0.04 6.97 6.92 2h1lC1 GLN 538 HE22 0.15 0.12 -0.01 -0.04 7.69 7.91 2h1lC1 ALA 539 H -0.00 0.16 -0.70 -0.55 8.40 7.31 2h1lC1 ALA 539 HA 0.03 0.10 0.43 -0.75 4.34 4.14 2h1lC1 ALA 539 HB3 -0.02 0.02 0.01 -0.04 1.41 1.38 2h1lC1 ARG 540 H -0.19 0.35 -0.20 -0.55 8.46 7.88 2h1lC1 ARG 540 HA -0.09 0.09 0.36 -0.75 4.34 3.95 2h1lC1 ARG 540 HB2 -0.62 0.00 -0.06 -0.04 1.90 1.18 2h1lC1 ARG 540 HB3 -0.27 -0.02 0.01 -0.04 1.80 1.48 2h1lC1 ARG 540 HG2 -0.21 0.11 0.18 -0.04 1.67 1.70 2h1lC1 ARG 540 HG3 -0.26 -0.10 0.03 -0.04 1.67 1.30 2h1lC1 ARG 540 HD2 -0.12 -0.06 -0.03 -0.04 3.22 2.97 2h1lC1 ARG 540 HD3 -0.10 0.05 -0.08 -0.04 3.22 3.05 2h1lC1 PHE 541 H -0.02 0.24 -0.82 -0.55 8.34 7.19 2h1lC1 PHE 541 HA 0.20 0.07 0.70 -0.75 4.62 4.83 2h1lC1 PHE 541 HB2 0.08 0.16 0.04 -0.04 3.15 3.38 2h1lC1 PHE 541 HB3 0.12 -0.03 -0.16 -0.04 3.06 2.95 2h1lC1 PHE 541 HD2 0.20 -0.02 -0.32 -0.04 7.28 7.10 2h1lC1 PHE 541 HE2 0.19 -0.06 -0.25 -0.04 7.38 7.22 2h1lC1 PHE 541 HZ 0.08 -0.07 -0.17 -0.04 7.32 7.12 2h1lC1 VAL 542 H 0.28 0.43 0.30 -0.55 8.24 8.70 2h1lC1 VAL 542 HA 0.07 0.12 0.49 -0.75 4.13 4.05 2h1lC1 VAL 542 HB -0.00 -0.16 0.12 -0.04 2.12 2.04 2h1lC1 VAL 542 HG13 0.02 -0.01 -0.08 -0.04 0.97 0.86 2h1lC1 VAL 542 HG23 0.20 0.06 -0.03 -0.04 0.95 1.14 2h1lC1 LYS 543 H -0.27 0.17 0.16 -0.55 8.42 7.93 2h1lC1 LYS 543 HA -0.22 0.24 0.90 -0.75 4.32 4.48 2h1lC1 LYS 543 HB2 -0.72 0.04 -0.05 -0.04 1.87 1.11 2h1lC1 LYS 543 HB3 -1.62 -0.05 -0.02 -0.04 1.79 0.06 2h1lC1 LYS 543 HG2 -0.55 -0.07 -0.22 -0.04 1.46 0.57 2h1lC1 LYS 543 HG3 -0.34 -0.01 0.06 -0.04 1.46 1.13 2h1lC1 LYS 543 HD2 -0.42 0.04 -0.05 -0.04 1.69 1.22 2h1lC1 LYS 543 HD3 -0.94 -0.02 -0.10 -0.04 1.68 0.58 2h1lC1 LYS 543 HE2 -0.26 -0.03 -0.10 -0.04 2.99 2.56 2h1lC1 LYS 543 HE3 -0.21 0.03 -0.04 -0.04 2.99 2.74 2h1lC1 GLN 544 H -0.18 0.23 0.07 -0.55 8.47 8.05 2h1lC1 GLN 544 HA 0.02 0.08 0.85 -0.75 4.36 4.56 2h1lC1 GLN 544 HB2 -0.02 0.06 -0.20 -0.04 2.15 1.95 2h1lC1 GLN 544 HB3 -0.05 -0.05 0.09 -0.04 2.02 1.97 2h1lC1 GLN 544 HG2 -0.01 0.01 -0.13 -0.04 2.40 2.24 2h1lC1 GLN 544 HG3 -0.04 0.15 0.15 -0.04 2.39 2.61 2h1lC1 GLN 544 HE21 -0.00 -0.05 -0.05 -0.04 6.97 6.83 2h1lC1 GLN 544 HE22 -0.02 -0.02 -0.11 -0.04 7.69 7.50 2h1lC1 ILE 545 H 0.01 0.16 0.01 -0.55 8.25 7.89 2h1lC1 ILE 545 HA -0.25 0.16 0.80 -0.75 4.18 4.14 2h1lC1 ILE 545 HB -0.51 -0.08 0.05 -0.04 1.89 1.31 2h1lC1 ILE 545 HG12 -0.35 0.00 -0.10 -0.04 1.49 1.01 2h1lC1 ILE 545 HG13 -0.26 0.07 -0.10 -0.04 1.21 0.88 2h1lC1 ILE 545 HG23 -1.11 0.00 -0.23 -0.04 0.93 -0.45 2h1lC1 ILE 545 HD13 0.01 -0.04 -0.23 -0.04 0.88 0.58 2h1lC1 ASP 546 H -0.25 0.18 0.13 -0.55 8.40 7.91 2h1lC1 ASP 546 HA 0.01 0.40 1.09 -0.75 4.63 5.38 2h1lC1 ASP 546 HB2 -0.10 -0.04 0.20 -0.04 2.71 2.72 2h1lC1 ASP 546 HB3 -0.04 0.02 0.05 -0.04 2.70 2.69 2h1lC1 PHE 547 H 0.37 0.37 0.15 -0.55 8.34 8.68 2h1lC1 PHE 547 HA -0.08 0.15 0.67 -0.75 4.62 4.60 2h1lC1 PHE 547 HB2 -0.02 -0.10 -0.07 -0.04 3.15 2.92 2h1lC1 PHE 547 HB3 -0.04 0.19 -0.02 -0.04 3.06 3.14 2h1lC1 PHE 547 HD2 -0.07 0.20 -0.11 -0.04 7.28 7.26 2h1lC1 PHE 547 HE2 -0.35 -0.00 -0.12 -0.04 7.38 6.87 2h1lC1 PHE 547 HZ -0.87 0.00 -0.12 -0.04 7.32 6.29 2h1lC1 ARG 548 H 0.06 0.30 0.25 -0.55 8.46 8.53 2h1lC1 ARG 548 HA 0.03 0.12 0.74 -0.75 4.34 4.48 2h1lC1 ARG 548 HB2 -0.03 -0.00 -0.00 -0.04 1.90 1.82 2h1lC1 ARG 548 HB3 -0.03 0.05 0.05 -0.04 1.80 1.84 2h1lC1 ARG 548 HG2 -0.00 -0.01 0.08 -0.04 1.67 1.70 2h1lC1 ARG 548 HG3 -0.01 0.07 -0.40 -0.04 1.67 1.29 2h1lC1 ARG 548 HD2 -0.03 -0.00 -0.02 -0.04 3.22 3.13 2h1lC1 ARG 548 HD3 -0.02 -0.02 0.02 -0.04 3.22 3.16 2h1lC1 PRO 549 HA -0.04 0.06 0.52 -0.51 4.44 4.47 2h1lC1 PRO 549 HB2 -0.05 -0.03 0.18 -0.04 2.28 2.34 2h1lC1 PRO 549 HB3 -0.04 0.04 0.09 -0.04 2.02 2.07 2h1lC1 PRO 549 HG2 -0.02 0.01 0.10 -0.04 2.03 2.08 2h1lC1 PRO 549 HG3 -0.01 0.16 0.05 -0.04 2.03 2.19 2h1lC1 PRO 549 HD2 -0.02 0.10 0.22 -0.04 3.68 3.94 2h1lC1 PRO 549 HD3 -0.00 0.11 0.21 -0.04 3.65 3.93 2h1lC1 LYS 550 H -0.12 0.18 0.23 -0.55 8.42 8.16 2h1lC1 LYS 550 HA -0.42 0.18 0.88 -0.75 4.32 4.21 2h1lC1 LYS 550 HB2 -0.24 -0.07 0.27 -0.04 1.87 1.78 2h1lC1 LYS 550 HB3 -0.79 -0.03 0.15 -0.04 1.79 1.07 2h1lC1 LYS 550 HG2 -0.12 0.29 0.13 -0.04 1.46 1.71 2h1lC1 LYS 550 HG3 -0.16 0.06 0.14 -0.04 1.46 1.46 2h1lC1 LYS 550 HD2 -0.18 -0.01 0.07 -0.04 1.69 1.53 2h1lC1 LYS 550 HD3 -0.19 -0.01 -0.06 -0.04 1.68 1.38 2h1lC1 LYS 550 HE2 -0.07 -0.06 0.09 -0.04 2.99 2.91 2h1lC1 LYS 550 HE3 -0.07 0.22 0.14 -0.04 2.99 3.24 2h1lC1 ASP 551 H -0.29 0.31 0.08 -0.55 8.40 7.95 2h1lC1 ASP 551 HA -0.28 0.04 0.35 -0.75 4.63 3.99 2h1lC1 ASP 551 HB2 -0.12 0.01 0.17 -0.04 2.71 2.73 2h1lC1 ASP 551 HB3 -0.22 0.05 0.02 -0.04 2.70 2.50 2h1lC1 TYR 552 H -0.42 0.15 -0.08 -0.55 8.29 7.38 2h1lC1 TYR 552 HA -0.01 0.05 0.38 -0.75 4.56 4.23 2h1lC1 TYR 552 HB2 0.06 0.16 -0.05 -0.04 3.06 3.19 2h1lC1 TYR 552 HB3 0.04 0.03 0.06 -0.04 2.98 3.07 2h1lC1 TYR 552 HD2 -0.01 0.06 -0.04 -0.04 7.15 7.12 2h1lC1 TYR 552 HE2 -0.07 0.06 0.05 -0.04 6.85 6.85 2h1lC1 LEU 553 H -0.35 0.15 -0.32 -0.55 8.37 7.30 2h1lC1 LEU 553 HA 0.33 0.12 0.46 -0.75 4.35 4.50 2h1lC1 LEU 553 HB2 -0.05 0.13 0.17 -0.04 1.64 1.85 2h1lC1 LEU 553 HB3 0.38 -0.09 -0.02 -0.04 1.64 1.86 2h1lC1 LEU 553 HG -0.12 0.00 0.05 -0.04 1.64 1.54 2h1lC1 LEU 553 HD13 -0.35 0.00 0.01 -0.04 0.93 0.55 2h1lC1 LEU 553 HD23 -0.58 0.02 -0.04 -0.04 0.89 0.25 2h1lC1 LYS 554 H -0.07 0.46 -0.18 -0.55 8.42 8.08 2h1lC1 LYS 554 HA 0.07 -0.03 0.42 -0.75 4.32 4.03 2h1lC1 LYS 554 HB2 -0.05 -0.04 0.07 -0.04 1.87 1.81 2h1lC1 LYS 554 HB3 -0.22 0.26 0.25 -0.04 1.79 2.04 2h1lC1 LYS 554 HG2 0.06 0.01 -0.24 -0.04 1.46 1.26 2h1lC1 LYS 554 HG3 0.02 -0.07 -0.02 -0.04 1.46 1.35 2h1lC1 LYS 554 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.60 2h1lC1 LYS 554 HD3 -0.08 0.01 0.01 -0.04 1.68 1.57 2h1lC1 LYS 554 HE2 0.04 -0.00 -0.02 -0.04 2.99 2.97 2h1lC1 LYS 554 HE3 0.12 0.02 -0.04 -0.04 2.99 3.06 2h1lC1 HIS 555 H -0.16 0.57 0.04 -0.55 8.41 8.31 2h1lC1 HIS 555 HA 0.05 -0.03 0.31 -0.75 4.63 4.21 2h1lC1 HIS 555 HB2 0.11 0.03 0.15 -0.04 3.26 3.52 2h1lC1 HIS 555 HB3 0.07 0.16 0.05 -0.04 3.20 3.43 2h1lC1 HIS 555 HD2 0.09 0.06 -0.05 -0.04 6.97 7.02 2h1lC1 HIS 555 HE1 0.03 -0.04 -0.00 -0.04 7.75 7.69 2h1lC1 CYS 556 H 0.23 0.57 -0.34 -0.55 8.50 8.42 2h1lC1 CYS 556 HA 0.16 -0.01 -0.10 -0.75 4.58 3.87 2h1lC1 CYS 556 HB2 0.25 0.08 0.07 -0.04 2.97 3.33 2h1lC1 CYS 556 HB3 0.35 0.14 0.14 -0.04 2.97 3.56 2h1lC1 LEU 557 H 0.12 0.60 -0.18 -0.55 8.37 8.36 2h1lC1 LEU 557 HA -0.18 -0.06 0.33 -0.75 4.35 3.69 2h1lC1 LEU 557 HB2 -0.03 0.22 0.17 -0.04 1.64 1.96 2h1lC1 LEU 557 HB3 -0.19 -0.11 -0.05 -0.04 1.64 1.25 2h1lC1 LEU 557 HG -0.20 0.20 0.08 -0.04 1.64 1.67 2h1lC1 LEU 557 HD13 -0.31 -0.02 -0.06 -0.04 0.93 0.50 2h1lC1 LEU 557 HD23 -1.01 -0.05 -0.01 -0.04 0.89 -0.22 2h1lC1 GLU 558 H 0.05 0.63 -0.19 -0.55 8.60 8.55 2h1lC1 GLU 558 HA 0.00 -0.02 0.40 -0.75 4.29 3.92 2h1lC1 GLU 558 HB2 0.08 0.21 0.06 -0.04 2.09 2.40 2h1lC1 GLU 558 HB3 0.04 -0.05 0.06 -0.04 1.99 1.99 2h1lC1 GLU 558 HG2 0.03 -0.08 0.00 -0.04 2.34 2.26 2h1lC1 GLU 558 HG3 0.07 0.23 -0.03 -0.04 2.34 2.57 2h1lC1 ARG 559 H 0.06 0.43 -0.62 -0.55 8.46 7.77 2h1lC1 ARG 559 HA 0.04 0.13 0.87 -0.75 4.34 4.63 2h1lC1 ARG 559 HB2 0.08 0.09 0.01 -0.04 1.90 2.04 2h1lC1 ARG 559 HB3 0.05 -0.11 0.18 -0.04 1.80 1.88 2h1lC1 ARG 559 HG2 0.03 -0.03 -0.04 -0.04 1.67 1.59 2h1lC1 ARG 559 HG3 0.05 0.11 -0.15 -0.04 1.67 1.64 2h1lC1 ARG 559 HD2 0.07 0.10 -0.01 -0.04 3.22 3.33 2h1lC1 ARG 559 HD3 0.03 -0.11 0.07 -0.04 3.22 3.16 2h1lC1 SER 560 H 0.02 0.28 -0.22 -0.55 8.46 7.99 2h1lC1 SER 560 HA 0.36 0.14 0.87 -0.75 4.49 5.10 2h1lC1 SER 560 HB2 -0.11 0.08 0.02 -0.04 3.95 3.90 2h1lC1 SER 560 HB3 -0.26 -0.15 0.23 -0.04 3.93 3.71 2h1lC1 GLU 561 H 0.07 0.24 -0.34 -0.55 8.60 8.03 2h1lC1 GLU 561 HA -0.07 0.09 0.37 -0.75 4.29 3.93 2h1lC1 GLU 561 HB2 -0.00 -0.02 0.05 -0.04 2.09 2.07 2h1lC1 GLU 561 HB3 0.02 0.17 0.07 -0.04 1.99 2.20 2h1lC1 GLU 561 HG2 0.09 -0.04 -0.19 -0.04 2.34 2.16 2h1lC1 GLU 561 HG3 0.03 0.04 -0.05 -0.04 2.34 2.32 2h1lC1 PHE 562 H 0.52 0.11 -0.47 -0.55 8.34 7.95 2h1lC1 PHE 562 HA -0.09 0.07 0.34 -0.75 4.62 4.18 2h1lC1 PHE 562 HB2 -0.08 0.01 0.02 -0.04 3.15 3.06 2h1lC1 PHE 562 HB3 -0.06 0.04 0.04 -0.04 3.06 3.04 2h1lC1 PHE 562 HD2 -0.08 -0.06 -0.14 -0.04 7.28 6.96 2h1lC1 PHE 562 HE2 -0.04 -0.02 0.09 -0.04 7.38 7.37 2h1lC1 PHE 562 HZ -0.02 -0.05 0.05 -0.04 7.32 7.27 2h1lC1 LEU 563 H -0.91 0.73 -0.10 -0.55 8.37 7.54 2h1lC1 LEU 563 HA -0.75 -0.00 0.34 -0.75 4.35 3.19 2h1lC1 LEU 563 HB2 -0.65 0.07 0.16 -0.04 1.64 1.17 2h1lC1 LEU 563 HB3 -0.69 -0.12 0.03 -0.04 1.64 0.82 2h1lC1 LEU 563 HG -1.22 0.07 0.13 -0.04 1.64 0.57 2h1lC1 LEU 563 HD13 -0.49 0.01 0.02 -0.04 0.93 0.43 2h1lC1 LEU 563 HD23 -0.66 -0.03 -0.07 -0.04 0.89 0.09 2h1lC1 LEU 564 H -0.38 0.26 -0.06 -0.55 8.37 7.64 2h1lC1 LEU 564 HA -0.29 -0.01 0.47 -0.75 4.35 3.77 2h1lC1 LEU 564 HB2 -0.21 0.09 0.12 -0.04 1.64 1.59 2h1lC1 LEU 564 HB3 -0.16 0.05 -0.07 -0.04 1.64 1.41 2h1lC1 LEU 564 HG -0.39 -0.04 -0.01 -0.04 1.64 1.16 2h1lC1 LEU 564 HD13 -0.16 0.02 -0.05 -0.04 0.93 0.70 2h1lC1 LEU 564 HD23 -0.19 -0.01 -0.02 -0.04 0.89 0.62 2h1lC1 GLU 565 H -0.15 0.57 -0.05 -0.55 8.60 8.43 2h1lC1 GLU 565 HA -0.08 0.03 0.37 -0.75 4.29 3.86 2h1lC1 GLU 565 HB2 -0.04 0.04 0.07 -0.04 2.09 2.12 2h1lC1 GLU 565 HB3 -0.03 -0.01 -0.05 -0.04 1.99 1.86 2h1lC1 GLU 565 HG2 -0.03 -0.01 0.02 -0.04 2.34 2.27 2h1lC1 GLU 565 HG3 -0.05 -0.02 0.03 -0.04 2.34 2.26 2h1lC1 LYS 566 H -0.17 0.42 -0.34 -0.55 8.42 7.78 2h1lC1 LYS 566 HA -0.05 0.20 0.86 -0.75 4.32 4.58 2h1lC1 LYS 566 HB2 -0.14 0.15 0.06 -0.04 1.87 1.89 2h1lC1 LYS 566 HB3 -0.14 -0.04 0.01 -0.04 1.79 1.58 2h1lC1 LYS 566 HG2 0.02 0.05 0.03 -0.04 1.46 1.51 2h1lC1 LYS 566 HG3 0.00 -0.03 -0.11 -0.04 1.46 1.28 2h1lC1 LYS 566 HD2 0.05 -0.05 -0.03 -0.04 1.69 1.62 2h1lC1 LYS 566 HD3 0.08 -0.01 -0.02 -0.04 1.68 1.69 2h1lC1 LYS 566 HE2 0.06 0.06 -0.03 -0.04 2.99 3.04 2h1lC1 LYS 566 HE3 0.05 -0.00 -0.04 -0.04 2.99 2.96 2h1lC1 ARG 567 H -0.18 0.29 -0.36 -0.55 8.46 7.66 2h1lC1 ARG 567 HA -0.17 -0.03 0.31 -0.75 4.34 3.70 2h1lC1 ARG 567 HB2 -0.04 0.18 -0.01 -0.04 1.90 1.99 2h1lC1 ARG 567 HB3 -0.05 -0.05 0.08 -0.04 1.80 1.74 2h1lC1 ARG 567 HG2 -0.08 0.03 -0.02 -0.04 1.67 1.56 2h1lC1 ARG 567 HG3 -0.06 0.05 -0.33 -0.04 1.67 1.29 2h1lC1 ARG 567 HD2 -0.02 0.01 -0.07 -0.04 3.22 3.11 2h1lC1 ARG 567 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.11 2h1lC1 ILE 568 H -0.40 0.45 0.09 -0.55 8.25 7.85 2h1lC1 ILE 568 HA -0.83 0.20 0.75 -0.75 4.18 3.54 2h1lC1 ILE 568 HB -0.66 0.00 0.17 -0.04 1.89 1.37 2h1lC1 ILE 568 HG12 -3.01 0.03 -0.09 -0.04 1.49 -1.63 2h1lC1 ILE 568 HG13 -0.85 0.09 -0.29 -0.04 1.21 0.12 2h1lC1 ILE 568 HG23 -0.72 -0.01 -0.10 -0.04 0.93 0.05 2h1lC1 ILE 568 HD13 -0.91 -0.02 -0.19 -0.04 0.88 -0.28 2h1lC1 ILE 569 H -0.36 0.18 0.06 -0.55 8.25 7.58 2h1lC1 ILE 569 HA 0.02 0.06 0.23 -0.75 4.18 3.74 2h1lC1 ILE 569 HB 0.11 0.04 0.09 -0.04 1.89 2.09 2h1lC1 ILE 569 HG12 -0.44 -0.04 -0.13 -0.04 1.49 0.84 2h1lC1 ILE 569 HG13 -0.25 0.06 -0.33 -0.04 1.21 0.65 2h1lC1 ILE 569 HG23 -0.45 0.00 0.05 -0.04 0.93 0.50 2h1lC1 ILE 569 HD13 -1.12 0.01 -0.09 -0.04 0.88 -0.37 2h1lC1 GLN 570 H -0.10 0.01 -1.50 -0.55 8.47 6.34 2h1lC1 GLN 570 HA 0.04 0.30 0.76 -0.75 4.36 4.71 2h1lC1 GLN 570 HB2 -0.01 0.02 0.14 -0.04 2.15 2.25 2h1lC1 GLN 570 HB3 -0.03 -0.09 -0.19 -0.04 2.02 1.66 2h1lC1 GLN 570 HG2 -0.10 -0.13 -0.21 -0.04 2.40 1.92 2h1lC1 GLN 570 HG3 -0.04 0.15 -0.25 -0.04 2.39 2.22 2h1lC1 GLN 570 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.85 2h1lC1 GLN 570 HE22 -0.02 0.07 -0.02 -0.04 7.69 7.68 2h1lC1 SER 571 H 0.08 0.47 0.11 -0.55 8.46 8.57 2h1lC1 SER 571 HA 0.09 0.28 1.06 -0.75 4.49 5.16 2h1lC1 SER 571 HB2 0.20 0.40 0.20 -0.04 3.95 4.70 2h1lC1 SER 571 HB3 0.57 -0.20 0.23 -0.04 3.93 4.48 2h1lC1 GLY 572 H 0.06 0.26 0.16 -0.55 8.43 8.37 2h1lC1 GLY 572 HA2 0.02 0.19 0.37 -0.51 4.01 4.08 2h1lC1 GLY 572 HA3 -0.01 0.15 0.23 -0.51 4.01 3.88 2h1lC1 ILE 573 H 0.14 0.02 -0.54 -0.55 8.25 7.32 2h1lC1 ILE 573 HA -0.14 0.21 0.69 -0.75 4.18 4.19 2h1lC1 ILE 573 HB -0.21 -0.02 0.04 -0.04 1.89 1.65 2h1lC1 ILE 573 HG12 -0.32 0.07 -0.06 -0.04 1.49 1.14 2h1lC1 ILE 573 HG13 -0.23 0.08 -0.05 -0.04 1.21 0.97 2h1lC1 ILE 573 HG23 -0.37 0.00 -0.20 -0.04 0.93 0.32 2h1lC1 ILE 573 HD13 -0.10 -0.01 -0.13 -0.04 0.88 0.60 2h1lC1 ALA 574 H 0.38 0.19 -0.04 -0.55 8.40 8.38 2h1lC1 ALA 574 HA 0.34 0.03 0.33 -0.75 4.34 4.29 2h1lC1 ALA 574 HB3 0.23 0.03 0.00 -0.04 1.41 1.63 2h1lC1 LEU 575 H 0.08 0.18 -0.64 -0.55 8.37 7.44 2h1lC1 LEU 575 HA 0.10 0.09 0.55 -0.75 4.35 4.33 2h1lC1 LEU 575 HB2 0.03 0.10 -0.06 -0.04 1.64 1.67 2h1lC1 LEU 575 HB3 0.06 0.03 -0.16 -0.04 1.64 1.53 2h1lC1 LEU 575 HG 0.08 0.04 -0.19 -0.04 1.64 1.53 2h1lC1 LEU 575 HD13 0.03 0.02 -0.29 -0.04 0.93 0.65 2h1lC1 LEU 575 HD23 0.10 -0.00 -0.16 -0.04 0.89 0.78 2h1lC1 LEU 576 H -0.07 0.34 -0.10 -0.55 8.37 7.99 2h1lC1 LEU 576 HA -0.10 0.05 0.34 -0.75 4.35 3.89 2h1lC1 LEU 576 HB2 -0.40 0.15 0.18 -0.04 1.64 1.53 2h1lC1 LEU 576 HB3 -0.24 -0.01 0.17 -0.04 1.64 1.52 2h1lC1 LEU 576 HG -0.30 -0.05 -0.23 -0.04 1.64 1.02 2h1lC1 LEU 576 HD13 -0.47 -0.01 0.04 -0.04 0.93 0.45 2h1lC1 LEU 576 HD23 -0.43 0.02 -0.06 -0.04 0.89 0.38 2h1lC1 LEU 577 H -0.05 0.65 -0.39 -0.55 8.37 8.03 2h1lC1 LEU 577 HA -0.13 0.05 0.33 -0.75 4.35 3.85 2h1lC1 LEU 577 HB2 0.01 0.08 0.02 -0.04 1.64 1.72 2h1lC1 LEU 577 HB3 -0.07 -0.04 -0.14 -0.04 1.64 1.35 2h1lC1 LEU 577 HG -0.21 0.07 -0.08 -0.04 1.64 1.38 2h1lC1 LEU 577 HD13 -0.08 -0.03 -0.14 -0.04 0.93 0.63 2h1lC1 LEU 577 HD23 -0.35 0.00 -0.07 -0.04 0.89 0.43 2h1lC1 MET 578 H 0.09 0.33 -0.25 -0.55 8.47 8.09 2h1lC1 MET 578 HA 0.27 -0.03 0.28 -0.75 4.52 4.29 2h1lC1 MET 578 HB2 0.17 0.10 0.19 -0.04 2.15 2.56 2h1lC1 MET 578 HB3 0.15 0.19 0.09 -0.04 2.03 2.41 2h1lC1 MET 578 HG2 0.10 -0.07 -0.05 -0.04 2.63 2.57 2h1lC1 MET 578 HG3 0.22 -0.03 0.10 -0.04 2.56 2.81 2h1lC1 MET 578 HE3 0.11 0.01 -0.17 -0.04 2.10 2.01 2h1lC1 LEU 579 H 0.15 0.35 -0.79 -0.55 8.37 7.53 2h1lC1 LEU 579 HA 0.25 -0.09 0.53 -0.75 4.35 4.30 2h1lC1 LEU 579 HB2 0.29 0.23 0.14 -0.04 1.64 2.25 2h1lC1 LEU 579 HB3 0.46 -0.05 -0.05 -0.04 1.64 1.96 2h1lC1 LEU 579 HG 0.15 0.19 -0.08 -0.04 1.64 1.85 2h1lC1 LEU 579 HD13 0.24 -0.01 -0.09 -0.04 0.93 1.03 2h1lC1 LEU 579 HD23 0.14 -0.05 -0.11 -0.04 0.89 0.84 2h1lC1 ILE 580 H 0.13 0.53 0.11 -0.55 8.25 8.47 2h1lC1 ILE 580 HA -0.01 -0.01 0.25 -0.75 4.18 3.66 2h1lC1 ILE 580 HB 0.03 0.03 0.05 -0.04 1.89 1.96 2h1lC1 ILE 580 HG12 -0.05 0.35 0.11 -0.04 1.49 1.86 2h1lC1 ILE 580 HG13 -0.29 -0.09 -0.07 -0.04 1.21 0.72 2h1lC1 ILE 580 HG23 0.10 -0.01 -0.06 -0.04 0.93 0.92 2h1lC1 ILE 580 HD13 -0.19 -0.02 -0.02 -0.04 0.88 0.61 2h1lC1 TRP 581 H 0.33 0.23 -0.91 -0.55 7.97 7.07 2h1lC1 TRP 581 HA -0.11 0.07 0.58 -0.75 4.62 4.41 2h1lC1 TRP 581 HB2 -0.10 -0.03 -0.13 -0.04 3.23 2.93 2h1lC1 TRP 581 HB3 -0.02 0.02 0.05 -0.04 3.23 3.23 2h1lC1 TRP 581 HD1 -1.13 -0.02 -0.09 -0.04 7.22 5.93 2h1lC1 TRP 581 HE1 -1.32 -0.06 -0.08 -0.04 10.20 8.70 2h1lC1 TRP 581 HE3 -0.11 0.09 -0.09 -0.04 7.59 7.44 2h1lC1 TRP 581 HZ2 -0.16 -0.12 -0.16 -0.04 7.44 6.96 2h1lC1 TRP 581 HZ3 -0.01 -0.05 -0.31 -0.04 7.13 6.72 2h1lC1 TRP 581 HH2 0.04 0.03 -0.24 -0.04 7.19 6.98 2h1lC1 TYR 582 H 0.46 0.41 0.08 -0.55 8.29 8.68 2h1lC1 TYR 582 HA -0.18 0.06 0.63 -0.75 4.56 4.31 2h1lC1 TYR 582 HB2 0.07 -0.00 0.28 -0.04 3.06 3.36 2h1lC1 TYR 582 HB3 -0.00 -0.08 0.03 -0.04 2.98 2.89 2h1lC1 TYR 582 HD2 0.06 0.19 0.10 -0.04 7.15 7.46 2h1lC1 TYR 582 HE2 -0.08 -0.01 -0.00 -0.04 6.85 6.72 2h1lC1 ARG 583 H 0.22 -0.00 0.15 -0.55 8.46 8.27 2h1lC1 ARG 583 HA 0.04 -0.06 0.33 -0.75 4.34 3.90 2h1lC1 ARG 583 HB2 0.34 0.07 -0.08 -0.04 1.90 2.18 2h1lC1 ARG 583 HB3 -0.12 -0.03 0.04 -0.04 1.80 1.65 2h1lC1 ARG 583 HG2 0.14 -0.01 0.15 -0.04 1.67 1.92 2h1lC1 ARG 583 HG3 -0.10 -0.01 0.01 -0.04 1.67 1.53 2h1lC1 ARG 583 HD2 0.05 -0.08 0.03 -0.04 3.22 3.19 2h1lC1 ARG 583 HD3 0.02 0.02 -0.09 -0.04 3.22 3.13 2h1lC1 PRO 584 HA 0.05 0.18 0.56 -0.51 4.44 4.72 2h1lC1 PRO 584 HB2 0.04 -0.18 0.07 -0.04 2.28 2.16 2h1lC1 PRO 584 HB3 0.02 0.06 0.12 -0.04 2.02 2.18 2h1lC1 PRO 584 HG2 -0.01 0.02 0.08 -0.04 2.03 2.08 2h1lC1 PRO 584 HG3 0.00 0.13 0.06 -0.04 2.03 2.18 2h1lC1 PRO 584 HD2 -0.06 0.02 0.21 -0.04 3.68 3.81 2h1lC1 PRO 584 HD3 -0.01 0.11 0.19 -0.04 3.65 3.90 2h1lC1 VAL 585 H 0.04 0.19 0.14 -0.55 8.24 8.07 2h1lC1 VAL 585 HA 0.04 0.13 0.17 -0.75 4.13 3.71 2h1lC1 VAL 585 HB -0.02 0.01 0.10 -0.04 2.12 2.17 2h1lC1 VAL 585 HG13 -0.04 0.02 0.05 -0.04 0.97 0.96 2h1lC1 VAL 585 HG23 0.03 -0.01 -0.17 -0.04 0.95 0.75 2h1lC1 ALA 586 H 0.11 -0.11 -1.08 -0.55 8.40 6.77 2h1lC1 ALA 586 HA 0.09 0.12 0.49 -0.75 4.34 4.28 2h1lC1 ALA 586 HB3 0.04 -0.01 -0.01 -0.04 1.41 1.39 2h1lC1 GLU 587 H 0.05 0.22 -0.02 -0.55 8.60 8.31 2h1lC1 GLU 587 HA 0.00 0.02 0.31 -0.75 4.29 3.87 2h1lC1 GLU 587 HB2 -0.49 0.07 -0.04 -0.04 2.09 1.59 2h1lC1 GLU 587 HB3 -0.51 -0.02 0.04 -0.04 1.99 1.46 2h1lC1 GLU 587 HG2 -0.18 -0.01 0.03 -0.04 2.34 2.14 2h1lC1 GLU 587 HG3 -0.13 -0.04 0.10 -0.04 2.34 2.23 2h1lC1 PHE 588 H 0.42 0.11 -0.70 -0.55 8.34 7.61 2h1lC1 PHE 588 HA 0.05 0.08 0.52 -0.75 4.62 4.51 2h1lC1 PHE 588 HB2 0.05 0.08 -0.12 -0.04 3.15 3.12 2h1lC1 PHE 588 HB3 0.07 -0.05 -0.06 -0.04 3.06 2.98 2h1lC1 PHE 588 HD2 0.10 0.01 -0.14 -0.04 7.28 7.21 2h1lC1 PHE 588 HE2 0.10 0.05 -0.33 -0.04 7.38 7.15 2h1lC1 PHE 588 HZ 0.08 -0.02 -0.39 -0.04 7.32 6.95 2h1lC1 ALA 589 H 0.12 0.11 0.09 -0.55 8.40 8.17 2h1lC1 ALA 589 HA 0.06 0.13 0.41 -0.75 4.34 4.19 2h1lC1 ALA 589 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 2h1lC1 GLN 590 H 0.05 0.22 0.18 -0.55 8.47 8.38 2h1lC1 GLN 590 HA 0.06 0.10 0.40 -0.75 4.36 4.17 2h1lC1 GLN 590 HB2 0.04 -0.01 0.19 -0.04 2.15 2.33 2h1lC1 GLN 590 HB3 0.04 0.11 0.16 -0.04 2.02 2.29 2h1lC1 GLN 590 HG2 0.03 0.05 0.04 -0.04 2.40 2.48 2h1lC1 GLN 590 HG3 0.03 -0.06 -0.04 -0.04 2.39 2.28 2h1lC1 GLN 590 HE21 0.02 0.01 -0.07 -0.04 6.97 6.90 2h1lC1 GLN 590 HE22 0.02 -0.02 -0.18 -0.04 7.69 7.48 2h1lC1 SER 591 H 0.05 0.06 -0.73 -0.55 8.46 7.29 2h1lC1 SER 591 HA 0.03 0.17 0.64 -0.75 4.49 4.57 2h1lC1 SER 591 HB2 0.03 0.05 0.14 -0.04 3.95 4.12 2h1lC1 SER 591 HB3 0.03 -0.01 0.03 -0.04 3.93 3.94 2h1lC1 ILE 592 H 0.07 0.29 -0.26 -0.55 8.25 7.80 2h1lC1 ILE 592 HA 0.06 0.10 0.52 -0.75 4.18 4.11 2h1lC1 ILE 592 HB 0.10 -0.03 0.12 -0.04 1.89 2.04 2h1lC1 ILE 592 HG12 0.11 0.04 -0.09 -0.04 1.49 1.52 2h1lC1 ILE 592 HG13 0.10 0.03 -0.11 -0.04 1.21 1.19 2h1lC1 ILE 592 HG23 0.07 0.01 -0.24 -0.04 0.93 0.73 2h1lC1 ILE 592 HD13 0.21 -0.02 -0.24 -0.04 0.88 0.79 2h1lC1 GLN 593 H 0.06 0.12 -0.05 -0.55 8.47 8.05 2h1lC1 GLN 593 HA 0.03 0.14 0.34 -0.75 4.36 4.11 2h1lC1 GLN 593 HB2 0.04 -0.02 0.13 -0.04 2.15 2.26 2h1lC1 GLN 593 HB3 0.03 -0.00 -0.03 -0.04 2.02 1.98 2h1lC1 GLN 593 HG2 0.10 0.18 -0.08 -0.04 2.40 2.57 2h1lC1 GLN 593 HG3 0.09 0.06 -0.41 -0.04 2.39 2.09 2h1lC1 GLN 593 HE21 0.06 -0.15 0.01 -0.04 6.97 6.85 2h1lC1 GLN 593 HE22 0.11 0.77 0.21 -0.04 7.69 8.74 2h1lC1 SER 594 H 0.03 0.14 -0.16 -0.55 8.46 7.92 2h1lC1 SER 594 HA 0.01 0.07 0.34 -0.75 4.49 4.16 2h1lC1 SER 594 HB2 0.01 0.04 -0.00 -0.04 3.95 3.96 2h1lC1 SER 594 HB3 0.02 0.05 0.08 -0.04 3.93 4.03 2h1lC1 ARG 595 H 0.05 0.12 -0.27 -0.55 8.46 7.81 2h1lC1 ARG 595 HA 0.09 0.02 0.32 -0.75 4.34 4.01 2h1lC1 ARG 595 HB2 0.09 -0.05 0.08 -0.04 1.90 1.98 2h1lC1 ARG 595 HB3 0.12 0.18 0.06 -0.04 1.80 2.12 2h1lC1 ARG 595 HG2 0.31 0.04 -0.09 -0.04 1.67 1.88 2h1lC1 ARG 595 HG3 0.19 -0.03 0.02 -0.04 1.67 1.81 2h1lC1 ARG 595 HD2 0.11 -0.03 0.01 -0.04 3.22 3.27 2h1lC1 ARG 595 HD3 0.12 0.03 0.02 -0.04 3.22 3.35 2h1lC1 ILE 596 H 0.02 0.38 -0.27 -0.55 8.25 7.83 2h1lC1 ILE 596 HA 0.01 0.02 0.30 -0.75 4.18 3.76 2h1lC1 ILE 596 HB -0.19 0.14 0.11 -0.04 1.89 1.91 2h1lC1 ILE 596 HG12 -0.04 0.32 0.07 -0.04 1.49 1.80 2h1lC1 ILE 596 HG13 -0.35 -0.05 -0.08 -0.04 1.21 0.69 2h1lC1 ILE 596 HG23 -0.68 -0.01 -0.11 -0.04 0.93 0.09 2h1lC1 ILE 596 HD13 -0.16 -0.02 -0.06 -0.04 0.88 0.61 2h1lC1 VAL 597 H -0.00 0.48 -0.24 -0.55 8.24 7.94 2h1lC1 VAL 597 HA -0.01 0.04 0.54 -0.75 4.13 3.95 2h1lC1 VAL 597 HB -0.00 0.10 0.21 -0.04 2.12 2.38 2h1lC1 VAL 597 HG13 -0.01 -0.03 -0.03 -0.04 0.97 0.86 2h1lC1 VAL 597 HG23 -0.01 0.11 0.06 -0.04 0.95 1.06 2h1lC1 GLU 598 H 0.01 0.63 0.10 -0.55 8.60 8.79 2h1lC1 GLU 598 HA -0.07 -0.04 0.35 -0.75 4.29 3.77 2h1lC1 GLU 598 HB2 -0.08 0.17 0.12 -0.04 2.09 2.26 2h1lC1 GLU 598 HB3 -0.20 -0.04 0.06 -0.04 1.99 1.77 2h1lC1 GLU 598 HG2 -0.06 -0.04 0.04 -0.04 2.34 2.24 2h1lC1 GLU 598 HG3 -0.02 0.14 0.00 -0.04 2.34 2.42 2h1lC1 TRP 599 H 0.18 0.31 -0.77 -0.55 7.97 7.14 2h1lC1 TRP 599 HA -0.02 0.05 0.66 -0.75 4.62 4.56 2h1lC1 TRP 599 HB2 -0.06 0.16 0.10 -0.04 3.23 3.38 2h1lC1 TRP 599 HB3 -0.04 -0.03 -0.06 -0.04 3.23 3.07 2h1lC1 TRP 599 HD1 -0.04 0.12 -0.13 -0.04 7.22 7.14 2h1lC1 TRP 599 HE1 -0.01 -0.03 -0.07 -0.04 10.20 10.04 2h1lC1 TRP 599 HE3 -0.09 -0.04 -0.02 -0.04 7.59 7.40 2h1lC1 TRP 599 HZ2 0.01 -0.01 -0.26 -0.04 7.44 7.14 2h1lC1 TRP 599 HZ3 -0.29 -0.03 -0.06 -0.04 7.13 6.71 2h1lC1 TRP 599 HH2 -0.02 0.13 -0.14 -0.04 7.19 7.13 2h1lC1 LYS 600 H 0.12 0.43 0.13 -0.55 8.42 8.55 2h1lC1 LYS 600 HA 0.17 0.10 0.45 -0.75 4.32 4.29 2h1lC1 LYS 600 HB2 0.02 -0.00 0.31 -0.04 1.87 2.15 2h1lC1 LYS 600 HB3 -0.01 -0.08 0.07 -0.04 1.79 1.73 2h1lC1 LYS 600 HG2 0.02 0.36 0.20 -0.04 1.46 2.00 2h1lC1 LYS 600 HG3 0.01 0.12 0.19 -0.04 1.46 1.73 2h1lC1 LYS 600 HD2 -0.05 -0.15 0.01 -0.04 1.69 1.46 2h1lC1 LYS 600 HD3 -0.05 -0.09 0.05 -0.04 1.68 1.55 2h1lC1 LYS 600 HE2 -0.12 -0.07 -0.09 -0.04 2.99 2.67 2h1lC1 LYS 600 HE3 -0.03 -0.29 0.01 -0.04 2.99 2.64 2h1lC1 GLU 601 H 0.03 0.52 -0.14 -0.55 8.60 8.46 2h1lC1 GLU 601 HA 0.02 0.03 0.44 -0.75 4.29 4.02 2h1lC1 GLU 601 HB2 -0.03 0.07 0.06 -0.04 2.09 2.15 2h1lC1 GLU 601 HB3 -0.01 -0.03 0.00 -0.04 1.99 1.91 2h1lC1 GLU 601 HG2 -0.01 -0.03 0.00 -0.04 2.34 2.26 2h1lC1 GLU 601 HG3 -0.01 0.16 -0.04 -0.04 2.34 2.41 2h1lC1 ARG 602 H -0.02 0.35 -0.21 -0.55 8.46 8.03 2h1lC1 ARG 602 HA -0.03 -0.02 0.40 -0.75 4.34 3.93 2h1lC1 ARG 602 HB2 -0.26 0.03 0.19 -0.04 1.90 1.82 2h1lC1 ARG 602 HB3 -0.14 0.11 0.28 -0.04 1.80 2.01 2h1lC1 ARG 602 HG2 -0.54 -0.01 -0.02 -0.04 1.67 1.07 2h1lC1 ARG 602 HG3 -0.00 -0.01 -0.32 -0.04 1.67 1.30 2h1lC1 ARG 602 HD2 -0.08 -0.05 0.08 -0.04 3.22 3.13 2h1lC1 ARG 602 HD3 -0.22 -0.01 0.02 -0.04 3.22 2.98 2h1lC1 LEU 603 H 0.20 0.63 -0.27 -0.55 8.37 8.38 2h1lC1 LEU 603 HA 0.28 0.01 0.47 -0.75 4.35 4.35 2h1lC1 LEU 603 HB2 0.40 0.20 0.12 -0.04 1.64 2.32 2h1lC1 LEU 603 HB3 0.57 -0.07 -0.09 -0.04 1.64 2.01 2h1lC1 LEU 603 HG 0.02 -0.10 -0.03 -0.04 1.64 1.50 2h1lC1 LEU 603 HD13 0.38 -0.00 -0.08 -0.04 0.93 1.18 2h1lC1 LEU 603 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.70 2h1lC1 ASP 604 H 0.23 0.49 -0.06 -0.55 8.40 8.51 2h1lC1 ASP 604 HA 0.40 0.08 0.60 -0.75 4.63 4.96 2h1lC1 ASP 604 HB2 0.06 0.05 0.16 -0.04 2.71 2.94 2h1lC1 ASP 604 HB3 0.07 0.04 0.16 -0.04 2.70 2.93 2h1lC1 LYS 605 H 0.10 0.66 -0.03 -0.55 8.42 8.59 2h1lC1 LYS 605 HA 0.04 -0.03 0.39 -0.75 4.32 3.97 2h1lC1 LYS 605 HB2 0.02 0.01 0.09 -0.04 1.87 1.94 2h1lC1 LYS 605 HB3 0.02 0.12 0.10 -0.04 1.79 1.99 2h1lC1 LYS 605 HG2 -0.01 0.00 -0.05 -0.04 1.46 1.37 2h1lC1 LYS 605 HG3 -0.00 -0.06 0.04 -0.04 1.46 1.39 2h1lC1 LYS 605 HD2 -0.02 -0.05 -0.02 -0.04 1.69 1.55 2h1lC1 LYS 605 HD3 -0.03 -0.03 -0.03 -0.04 1.68 1.56 2h1lC1 LYS 605 HE2 -0.02 0.14 0.01 -0.04 2.99 3.07 2h1lC1 LYS 605 HE3 -0.02 -0.02 -0.09 -0.04 2.99 2.82 2h1lC1 GLU 606 H 0.13 0.21 -0.58 -0.55 8.60 7.81 2h1lC1 GLU 606 HA -0.11 0.06 0.65 -0.75 4.29 4.14 2h1lC1 GLU 606 HB2 0.17 0.20 0.17 -0.04 2.09 2.58 2h1lC1 GLU 606 HB3 -0.23 -0.13 -0.02 -0.04 1.99 1.56 2h1lC1 GLU 606 HG2 -0.02 0.00 -0.04 -0.04 2.34 2.25 2h1lC1 GLU 606 HG3 0.03 -0.03 0.02 -0.04 2.34 2.32 2h1lC1 PHE 607 H 0.31 0.35 -0.03 -0.55 8.34 8.42 2h1lC1 PHE 607 HA 0.08 0.15 1.07 -0.75 4.62 5.17 2h1lC1 PHE 607 HB2 0.13 0.13 -0.01 -0.04 3.15 3.36 2h1lC1 PHE 607 HB3 0.12 -0.16 -0.02 -0.04 3.06 2.96 2h1lC1 PHE 607 HD2 0.01 0.10 -0.04 -0.04 7.28 7.31 2h1lC1 PHE 607 HE2 -0.00 -0.04 -0.08 -0.04 7.38 7.22 2h1lC1 PHE 607 HZ 0.03 -0.15 -0.32 -0.04 7.32 6.84 2h1lC1 SER 608 H 0.30 0.12 0.19 -0.55 8.46 8.52 2h1lC1 SER 608 HA 0.18 0.28 0.92 -0.75 4.49 5.12 2h1lC1 SER 608 HB2 0.10 0.18 0.05 -0.04 3.95 4.23 2h1lC1 SER 608 HB3 0.13 0.03 0.17 -0.04 3.93 4.23 2h1lC1 LEU 609 H 0.15 0.30 0.18 -0.55 8.37 8.45 2h1lC1 LEU 609 HA 0.32 0.10 0.36 -0.75 4.35 4.37 2h1lC1 LEU 609 HB2 0.06 -0.01 0.06 -0.04 1.64 1.71 2h1lC1 LEU 609 HB3 0.04 0.05 0.07 -0.04 1.64 1.75 2h1lC1 LEU 609 HG 0.01 0.00 0.15 -0.04 1.64 1.76 2h1lC1 LEU 609 HD13 -0.10 0.02 0.03 -0.04 0.93 0.83 2h1lC1 LEU 609 HD23 -0.21 0.02 0.01 -0.04 0.89 0.66 2h1lC1 SER 610 H 0.13 0.09 -0.32 -0.55 8.46 7.81 2h1lC1 SER 610 HA 0.13 0.11 0.40 -0.75 4.49 4.37 2h1lC1 SER 610 HB2 0.08 0.01 0.06 -0.04 3.95 4.07 2h1lC1 SER 610 HB3 0.10 0.01 -0.01 -0.04 3.93 3.98 2h1lC1 VAL 611 H 0.19 0.29 -0.27 -0.55 8.24 7.90 2h1lC1 VAL 611 HA 0.13 0.10 0.52 -0.75 4.13 4.13 2h1lC1 VAL 611 HB 0.26 0.07 0.27 -0.04 2.12 2.68 2h1lC1 VAL 611 HG13 0.18 0.01 -0.07 -0.04 0.97 1.05 2h1lC1 VAL 611 HG23 0.11 -0.00 0.07 -0.04 0.95 1.08 2h1lC1 TYR 612 H 0.37 0.47 0.01 -0.55 8.29 8.58 2h1lC1 TYR 612 HA 0.09 0.01 0.31 -0.75 4.56 4.21 2h1lC1 TYR 612 HB2 0.15 0.00 0.03 -0.04 3.06 3.21 2h1lC1 TYR 612 HB3 0.26 0.12 0.09 -0.04 2.98 3.42 2h1lC1 TYR 612 HD2 -0.07 0.02 -0.16 -0.04 7.15 6.90 2h1lC1 TYR 612 HE2 0.03 0.01 -0.10 -0.04 6.85 6.75 2h1lC1 GLN 613 H 0.27 0.44 -0.36 -0.55 8.47 8.28 2h1lC1 GLN 613 HA 0.14 0.01 0.40 -0.75 4.36 4.16 2h1lC1 GLN 613 HB2 0.16 0.13 0.10 -0.04 2.15 2.50 2h1lC1 GLN 613 HB3 0.13 -0.02 -0.03 -0.04 2.02 2.06 2h1lC1 GLN 613 HG2 0.17 -0.03 0.02 -0.04 2.40 2.52 2h1lC1 GLN 613 HG3 0.23 0.16 0.06 -0.04 2.39 2.79 2h1lC1 GLN 613 HE21 0.06 -0.02 -0.04 -0.04 6.97 6.93 2h1lC1 GLN 613 HE22 0.09 0.00 -0.04 -0.04 7.69 7.70 2h1lC1 LYS 614 H 0.14 0.38 -0.30 -0.55 8.42 8.08 2h1lC1 LYS 614 HA 0.24 -0.02 0.39 -0.75 4.32 4.18 2h1lC1 LYS 614 HB2 0.10 0.03 0.21 -0.04 1.87 2.17 2h1lC1 LYS 614 HB3 0.08 0.14 0.20 -0.04 1.79 2.16 2h1lC1 LYS 614 HG2 0.01 -0.04 0.03 -0.04 1.46 1.42 2h1lC1 LYS 614 HG3 -0.01 0.05 -0.04 -0.04 1.46 1.41 2h1lC1 LYS 614 HD2 -0.08 -0.04 0.09 -0.04 1.69 1.61 2h1lC1 LYS 614 HD3 -0.01 -0.03 0.04 -0.04 1.68 1.64 2h1lC1 LYS 614 HE2 -0.29 0.03 0.01 -0.04 2.99 2.70 2h1lC1 LYS 614 HE3 -0.36 -0.04 0.00 -0.04 2.99 2.56 2h1lC1 MET 615 H 0.01 0.36 -0.30 -0.55 8.47 8.00 2h1lC1 MET 615 HA 0.04 0.12 0.39 -0.75 4.52 4.31 2h1lC1 MET 615 HB2 -0.28 0.24 0.22 -0.04 2.15 2.28 2h1lC1 MET 615 HB3 -0.08 -0.06 0.01 -0.04 2.03 1.85 2h1lC1 MET 615 HG2 0.05 -0.00 -0.11 -0.04 2.63 2.53 2h1lC1 MET 615 HG3 0.04 0.07 -0.08 -0.04 2.56 2.55 2h1lC1 MET 615 HE3 0.19 -0.02 -0.13 -0.04 2.10 2.10 2h1lC1 LYS 616 H -0.18 0.44 -0.00 -0.55 8.42 8.12 2h1lC1 LYS 616 HA -0.01 -0.00 0.26 -0.75 4.32 3.81 2h1lC1 LYS 616 HB2 -0.00 0.10 0.09 -0.04 1.87 2.02 2h1lC1 LYS 616 HB3 0.01 -0.01 -0.01 -0.04 1.79 1.73 2h1lC1 LYS 616 HG2 -0.06 0.07 -0.00 -0.04 1.46 1.43 2h1lC1 LYS 616 HG3 -0.49 0.06 0.07 -0.04 1.46 1.06 2h1lC1 LYS 616 HD2 0.40 -0.05 -0.03 -0.04 1.69 1.98 2h1lC1 LYS 616 HD3 0.22 -0.03 -0.02 -0.04 1.68 1.81 2h1lC1 LYS 616 HE2 0.11 -0.01 -0.04 -0.04 2.99 3.00 2h1lC1 LYS 616 HE3 0.22 0.10 -0.14 -0.04 2.99 3.12 2h1lC1 PHE 617 H 0.18 0.48 -0.56 -0.55 8.34 7.88 2h1lC1 PHE 617 HA -0.01 -0.04 0.32 -0.75 4.62 4.13 2h1lC1 PHE 617 HB2 0.01 0.08 0.13 -0.04 3.15 3.32 2h1lC1 PHE 617 HB3 0.01 0.27 0.20 -0.04 3.06 3.50 2h1lC1 PHE 617 HD2 0.01 -0.02 -0.14 -0.04 7.28 7.09 2h1lC1 PHE 617 HE2 0.01 -0.03 -0.03 -0.04 7.38 7.29 2h1lC1 PHE 617 HZ 0.01 -0.03 -0.02 -0.04 7.32 7.24 2h1lC1 ASN 618 H 0.16 0.61 -0.01 -0.55 8.53 8.75 2h1lC1 ASN 618 HA 0.11 -0.03 0.44 -0.75 4.76 4.53 2h1lC1 ASN 618 HB2 0.08 0.04 0.08 -0.04 2.88 3.04 2h1lC1 ASN 618 HB3 0.07 -0.03 -0.22 -0.04 2.79 2.56 2h1lC1 ASN 618 HD21 -0.02 -0.15 -0.02 -0.04 7.03 6.81 2h1lC1 ASN 618 HD22 0.04 0.00 0.14 -0.04 7.74 7.88 2h1lC1 VAL 619 H 0.11 0.61 -0.05 -0.55 8.24 8.36 2h1lC1 VAL 619 HA 0.19 -0.05 0.34 -0.75 4.13 3.86 2h1lC1 VAL 619 HB 0.06 0.15 0.03 -0.04 2.12 2.31 2h1lC1 VAL 619 HG13 0.09 -0.02 -0.04 -0.04 0.97 0.96 2h1lC1 VAL 619 HG23 0.17 0.03 -0.07 -0.04 0.95 1.03 2h1lC1 ALA 620 H 0.06 0.42 -0.74 -0.55 8.40 7.59 2h1lC1 ALA 620 HA -0.35 0.02 0.61 -0.75 4.34 3.87 2h1lC1 ALA 620 HB3 -0.13 0.03 0.08 -0.04 1.41 1.35 2h1lC1 MET 621 H 0.13 0.37 0.07 -0.55 8.47 8.49 2h1lC1 MET 621 HA 0.09 0.01 0.54 -0.75 4.52 4.41 2h1lC1 MET 621 HB2 0.13 0.03 0.14 -0.04 2.15 2.41 2h1lC1 MET 621 HB3 0.11 -0.07 0.07 -0.04 2.03 2.09 2h1lC1 MET 621 HG2 0.37 0.17 0.05 -0.04 2.63 3.17 2h1lC1 MET 621 HG3 0.28 -0.06 -0.02 -0.04 2.56 2.71 2h1lC1 MET 621 HE3 0.04 -0.01 -0.10 -0.04 2.10 1.99 2h1lC1 GLY 622 H 0.15 0.28 -0.51 -0.55 8.43 7.79 2h1lC1 GLY 622 HA2 0.24 0.14 0.27 -0.51 4.01 4.15 2h1lC1 GLY 622 HA3 0.27 -0.04 0.47 -0.51 4.01 4.20 2h1lC1 ILE 623 H 0.13 0.43 -0.15 -0.55 8.25 8.11 2h1lC1 ILE 623 HA 0.08 0.15 0.72 -0.75 4.18 4.38 2h1lC1 ILE 623 HB 0.05 -0.03 -0.11 -0.04 1.89 1.76 2h1lC1 ILE 623 HG12 0.04 0.04 -0.21 -0.04 1.49 1.32 2h1lC1 ILE 623 HG13 0.08 -0.00 -1.03 -0.04 1.21 0.23 2h1lC1 ILE 623 HG23 0.02 0.03 -0.07 -0.04 0.93 0.87 2h1lC1 ILE 623 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.75 2h1lC1 GLY 624 H 0.06 0.11 0.04 -0.55 8.43 8.10 2h1lC1 GLY 624 HA2 0.12 -0.03 0.14 -0.51 4.01 3.73 2h1lC1 GLY 624 HA3 0.08 0.10 0.23 -0.51 4.01 3.91 2h1lC1 VAL 625 H 0.16 0.02 0.11 -0.55 8.24 7.98 2h1lC1 VAL 625 HA 0.11 0.11 0.35 -0.75 4.13 3.96 2h1lC1 VAL 625 HB 0.26 -0.24 0.22 -0.04 2.12 2.32 2h1lC1 VAL 625 HG13 0.11 0.00 0.01 -0.04 0.97 1.05 2h1lC1 VAL 625 HG23 0.13 0.02 0.09 -0.04 0.95 1.15 2h1lC1 LEU 626 H 0.19 -0.01 0.02 -0.55 8.37 8.03 2h1lC1 LEU 626 HA 0.07 0.01 0.39 -0.75 4.35 4.07 2h1lC1 LEU 626 HB2 -0.07 -0.01 0.04 -0.04 1.64 1.56 2h1lC1 LEU 626 HB3 -0.01 0.02 -0.02 -0.04 1.64 1.58 2h1lC1 LEU 626 HG 0.21 -0.05 0.06 -0.04 1.64 1.81 2h1lC1 LEU 626 HD13 -0.11 -0.01 -0.11 -0.04 0.93 0.66 2h1lC1 LEU 626 HD23 0.14 0.05 -0.06 -0.04 0.89 0.98 2h1lC1 ASP 627 H 0.02 0.08 0.08 -0.55 8.40 8.04 2h1lC1 ASP 627 HA -0.00 -0.00 0.19 -0.75 4.63 4.06 2h1lC1 ASP 627 HB2 -0.01 -0.10 -0.21 -0.04 2.71 2.34 2h1lC1 ASP 627 HB3 -0.01 0.26 0.04 -0.04 2.70 2.95