============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 14 1.000 -11.103 -23.725 -44.737 -99.200 -91.000 HIS 15 0.900 -14.124 -16.628 -48.767 -99.200 -91.000 PHE 31 1.000 -3.593 -32.414 -39.695 -99.200 -91.000 TYR 38 0.840 9.221 -20.554 -41.524 -99.200 -91.000 TYR 47 0.840 5.283 -31.697 -46.992 -99.200 -91.000 TYR 56 0.840 3.463 -21.342 -33.631 -99.200 -91.000 HIS 58 0.900 2.037 -15.458 -34.570 -99.200 -91.000 HIS 75 0.900 10.689 -30.065 -54.877 -99.200 -91.000 PHE 91 1.000 22.103 -16.472 -35.779 -99.200 -91.000 TYR 100 0.840 12.165 -19.195 -49.776 -99.200 -91.000 HIS 104 0.900 12.110 -20.049 -53.918 -99.200 -91.000 PHE 149 1.000 -4.288 -33.201 -57.340 -99.200 -91.000 TYR 167 0.840 22.999 -35.326 -57.870 -99.200 -91.000 TRP 169 1.040 25.674 -34.591 -50.951 -99.200 -91.000 TRP6 169 1.020 24.098 -32.938 -51.541 -99.200 -91.000 TRP 174 1.040 24.020 -24.788 -40.426 -99.200 -91.000 TRP6 174 1.020 23.355 -24.826 -38.178 -99.200 -91.000 PHE 191 1.000 32.077 -46.874 -44.711 -99.200 -91.000 HIS 192 0.900 30.089 -45.552 -54.838 -99.200 -91.000 TYR 196 0.840 17.819 -46.772 -57.767 -99.200 -91.000 PHE 198 1.000 13.428 -44.120 -55.521 -99.200 -91.000 PHE 236 1.000 18.922 -43.129 -48.632 -99.200 -91.000 TYR 249 0.840 10.293 -45.988 -61.639 -99.200 -91.000 PHE 257 1.000 19.618 -52.225 -56.935 -99.200 -91.000 PHE 265 1.000 18.524 -46.377 -43.741 -99.200 -91.000 HIS 270 0.900 8.854 -48.537 -44.230 -99.200 -91.000 PHE 286 1.000 -5.152 -37.561 -39.740 -99.200 -91.000 HIS 288 0.900 1.663 -41.395 -39.012 -99.200 -91.000 HIS 289 0.900 1.532 -35.147 -43.797 -99.200 -91.000 HIS 293 0.900 3.448 -40.342 -35.500 -99.200 -91.000 HIS 310 0.900 4.094 -41.796 -42.996 -99.200 -91.000 PHE 312 1.000 0.105 -42.920 -51.056 -99.200 -91.000 HIS 327 0.900 12.323 -48.936 -35.745 -99.200 -91.000 PHE 331 1.000 1.232 -38.983 -31.964 -99.200 -91.000 HIS 339 0.900 17.315 -55.837 -40.925 -99.200 -91.000 PHE 346 1.000 18.762 -50.204 -41.942 -99.200 -91.000 PHE 348 1.000 11.981 -44.547 -38.612 -99.200 -91.000 HIS 359 0.900 19.294 -33.212 -34.461 -99.200 -91.000 PHE 365 1.000 20.618 -41.284 -41.905 -99.200 -91.000 HIS 367 0.900 21.102 -52.289 -38.847 -99.200 -91.000 PHE 368 1.000 22.923 -47.714 -45.976 -99.200 -91.000 TYR 375 0.840 28.588 -55.840 -50.212 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a9xH1 ILE 7502 HA 0.00 -0.08 0.20 -0.75 4.18 3.55 1a9xH1 ILE 7502 HB 0.00 -0.02 0.05 -0.04 1.89 1.87 1a9xH1 ILE 7502 HG12 0.01 -0.02 -0.16 -0.04 1.49 1.27 1a9xH1 ILE 7502 HG13 0.01 0.03 -0.23 -0.04 1.21 0.97 1a9xH1 ILE 7502 HG23 0.00 -0.01 0.09 -0.04 0.93 0.97 1a9xH1 ILE 7502 HD13 -0.00 -0.00 -0.03 -0.04 0.88 0.80 1a9xH1 LYS 7503 H 0.01 0.11 0.10 -0.55 8.42 8.08 1a9xH1 LYS 7503 HA 0.01 0.13 0.75 -0.75 4.32 4.45 1a9xH1 LYS 7503 HB2 0.01 0.01 0.26 -0.04 1.87 2.10 1a9xH1 LYS 7503 HB3 0.01 0.02 0.06 -0.04 1.79 1.84 1a9xH1 LYS 7503 HG2 0.01 -0.01 -0.00 -0.04 1.46 1.41 1a9xH1 LYS 7503 HG3 0.01 0.02 -0.05 -0.04 1.46 1.40 1a9xH1 LYS 7503 HD2 0.00 -0.00 0.01 -0.04 1.69 1.66 1a9xH1 LYS 7503 HD3 0.01 0.02 0.07 -0.04 1.68 1.74 1a9xH1 LYS 7503 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 1a9xH1 LYS 7503 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 1a9xH1 SER 7504 H 0.01 0.27 0.23 -0.55 8.46 8.43 1a9xH1 SER 7504 HA 0.02 0.28 0.81 -0.75 4.49 4.85 1a9xH1 SER 7504 HB2 0.02 0.10 0.11 -0.04 3.95 4.15 1a9xH1 SER 7504 HB3 0.05 -0.08 0.14 -0.04 3.93 4.00 1a9xH1 ALA 7505 H 0.04 0.44 0.31 -0.55 8.40 8.65 1a9xH1 ALA 7505 HA 0.02 0.23 0.76 -0.75 4.34 4.59 1a9xH1 ALA 7505 HB3 0.01 -0.01 -0.28 -0.04 1.41 1.09 1a9xH1 LEU 7506 H 0.00 0.68 0.35 -0.55 8.37 8.85 1a9xH1 LEU 7506 HA -0.04 0.31 0.95 -0.75 4.35 4.81 1a9xH1 LEU 7506 HB2 -0.03 0.06 0.01 -0.04 1.64 1.65 1a9xH1 LEU 7506 HB3 0.02 -0.07 -0.11 -0.04 1.64 1.44 1a9xH1 LEU 7506 HG -0.03 -0.02 -0.52 -0.04 1.64 1.02 1a9xH1 LEU 7506 HD13 -0.23 -0.00 -0.13 -0.04 0.93 0.53 1a9xH1 LEU 7506 HD23 0.01 -0.03 -0.28 -0.04 0.89 0.56 1a9xH1 LEU 7507 H -0.03 0.56 0.30 -0.55 8.37 8.66 1a9xH1 LEU 7507 HA -0.00 0.30 1.09 -0.75 4.35 4.98 1a9xH1 LEU 7507 HB2 -0.03 -0.01 -0.13 -0.04 1.64 1.44 1a9xH1 LEU 7507 HB3 0.05 -0.02 0.04 -0.04 1.64 1.66 1a9xH1 LEU 7507 HG 0.14 0.02 -0.58 -0.04 1.64 1.17 1a9xH1 LEU 7507 HD13 -0.03 0.03 -0.28 -0.04 0.93 0.61 1a9xH1 LEU 7507 HD23 -0.25 -0.02 -0.23 -0.04 0.89 0.36 1a9xH1 VAL 7508 H 0.01 0.89 0.34 -0.55 8.24 8.93 1a9xH1 VAL 7508 HA 0.03 0.42 1.29 -0.75 4.13 5.11 1a9xH1 VAL 7508 HB -0.00 -0.03 -0.14 -0.04 2.12 1.90 1a9xH1 VAL 7508 HG13 -0.00 -0.00 -0.29 -0.04 0.97 0.64 1a9xH1 VAL 7508 HG23 -0.04 -0.03 -0.25 -0.04 0.95 0.59 1a9xH1 LEU 7509 H 0.04 0.55 0.18 -0.55 8.37 8.59 1a9xH1 LEU 7509 HA 0.04 0.28 1.10 -0.75 4.35 5.02 1a9xH1 LEU 7509 HB2 0.06 -0.21 0.06 -0.04 1.64 1.51 1a9xH1 LEU 7509 HB3 0.06 0.05 0.14 -0.04 1.64 1.85 1a9xH1 LEU 7509 HG 0.25 0.05 -0.12 -0.04 1.64 1.78 1a9xH1 LEU 7509 HD13 0.15 0.00 -0.07 -0.04 0.93 0.97 1a9xH1 LEU 7509 HD23 0.05 0.02 -0.16 -0.04 0.89 0.75 1a9xH1 GLU 7510 H 0.03 0.57 0.26 -0.55 8.60 8.92 1a9xH1 GLU 7510 HA 0.03 0.09 0.26 -0.75 4.29 3.92 1a9xH1 GLU 7510 HB2 0.04 0.01 0.24 -0.04 2.09 2.34 1a9xH1 GLU 7510 HB3 0.04 0.04 -0.11 -0.04 1.99 1.92 1a9xH1 GLU 7510 HG2 0.05 0.02 0.02 -0.04 2.34 2.40 1a9xH1 GLU 7510 HG3 0.07 0.13 -0.04 -0.04 2.34 2.45 1a9xH1 ASP 7511 H 0.03 0.05 -0.30 -0.55 8.40 7.63 1a9xH1 ASP 7511 HA 0.02 0.16 0.49 -0.75 4.63 4.54 1a9xH1 ASP 7511 HB2 0.01 0.04 0.11 -0.04 2.71 2.83 1a9xH1 ASP 7511 HB3 0.03 0.06 0.06 -0.04 2.70 2.80 1a9xH1 GLY 7512 H 0.01 0.74 -0.57 -0.55 8.43 8.07 1a9xH1 GLY 7512 HA2 -0.01 0.04 0.22 -0.51 4.01 3.75 1a9xH1 GLY 7512 HA3 -0.01 0.08 0.49 -0.51 4.01 4.06 1a9xH1 THR 7513 H -0.01 -0.03 -0.18 -0.55 8.28 7.51 1a9xH1 THR 7513 HA -0.13 0.14 0.56 -0.75 4.39 4.20 1a9xH1 THR 7513 HB -0.01 -0.07 0.02 -0.04 4.32 4.22 1a9xH1 THR 7513 HG23 -0.46 0.02 -0.11 -0.04 1.22 0.63 1a9xH1 GLN 7514 H -0.25 0.15 0.22 -0.55 8.47 8.04 1a9xH1 GLN 7514 HA -0.18 0.37 1.16 -0.75 4.36 4.96 1a9xH1 GLN 7514 HB2 -0.14 -0.03 0.03 -0.04 2.15 1.97 1a9xH1 GLN 7514 HB3 -0.36 -0.03 -0.01 -0.04 2.02 1.58 1a9xH1 GLN 7514 HG2 -0.08 0.01 -0.16 -0.04 2.40 2.13 1a9xH1 GLN 7514 HG3 -0.07 0.13 -0.01 -0.04 2.39 2.40 1a9xH1 GLN 7514 HE21 0.04 -0.05 -0.03 -0.04 6.97 6.88 1a9xH1 GLN 7514 HE22 -0.00 0.06 -0.06 -0.04 7.69 7.64 1a9xH1 PHE 7515 H -0.14 0.48 0.26 -0.55 8.34 8.39 1a9xH1 PHE 7515 HA -0.08 0.09 0.80 -0.75 4.62 4.68 1a9xH1 PHE 7515 HB2 -0.10 -0.02 0.07 -0.04 3.15 3.06 1a9xH1 PHE 7515 HB3 -0.07 -0.03 -0.08 -0.04 3.06 2.85 1a9xH1 PHE 7515 HD2 -0.06 0.02 -0.15 -0.04 7.28 7.05 1a9xH1 PHE 7515 HE2 -0.04 -0.02 -0.16 -0.04 7.38 7.11 1a9xH1 PHE 7515 HZ -0.04 0.02 -0.20 -0.04 7.32 7.06 1a9xH1 HIS 7516 H 0.14 0.15 0.16 -0.55 8.41 8.31 1a9xH1 HIS 7516 HA 0.04 0.24 1.14 -0.75 4.63 5.30 1a9xH1 HIS 7516 HB2 0.01 -0.02 0.15 -0.04 3.26 3.36 1a9xH1 HIS 7516 HB3 0.01 0.08 0.10 -0.04 3.20 3.35 1a9xH1 HIS 7516 HD2 -0.04 0.02 -0.05 -0.04 6.97 6.85 1a9xH1 HIS 7516 HE1 -0.01 -0.02 -0.06 -0.04 7.75 7.62 1a9xH1 GLY 7517 H 0.08 0.77 0.34 -0.55 8.43 9.07 1a9xH1 GLY 7517 HA2 0.05 0.16 0.70 -0.51 4.01 4.42 1a9xH1 GLY 7517 HA3 0.03 0.09 0.27 -0.51 4.01 3.90 1a9xH1 ARG 7518 H 0.01 0.58 0.23 -0.55 8.46 8.73 1a9xH1 ARG 7518 HA 0.01 0.39 1.01 -0.75 4.34 5.00 1a9xH1 ARG 7518 HB2 0.01 0.00 -0.06 -0.04 1.90 1.81 1a9xH1 ARG 7518 HB3 -0.00 -0.12 -0.00 -0.04 1.80 1.63 1a9xH1 ARG 7518 HG2 0.00 0.03 -0.31 -0.04 1.67 1.35 1a9xH1 ARG 7518 HG3 0.00 0.11 0.08 -0.04 1.67 1.82 1a9xH1 ARG 7518 HD2 0.00 0.01 -0.01 -0.04 3.22 3.18 1a9xH1 ARG 7518 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 1a9xH1 ALA 7519 H 0.01 0.59 0.07 -0.55 8.40 8.52 1a9xH1 ALA 7519 HA -0.00 0.15 0.69 -0.75 4.34 4.42 1a9xH1 ALA 7519 HB3 0.01 0.03 -0.02 -0.04 1.41 1.39 1a9xH1 ILE 7520 H -0.00 0.41 0.26 -0.55 8.25 8.36 1a9xH1 ILE 7520 HA 0.00 0.19 0.82 -0.75 4.18 4.44 1a9xH1 ILE 7520 HB -0.00 -0.08 0.04 -0.04 1.89 1.81 1a9xH1 ILE 7520 HG12 -0.01 0.06 -0.31 -0.04 1.49 1.19 1a9xH1 ILE 7520 HG13 -0.00 0.06 -0.41 -0.04 1.21 0.82 1a9xH1 ILE 7520 HG23 -0.01 0.02 -0.24 -0.04 0.93 0.66 1a9xH1 ILE 7520 HD13 -0.03 -0.03 -0.29 -0.04 0.88 0.49 1a9xH1 GLY 7521 H 0.00 0.06 0.08 -0.55 8.43 8.03 1a9xH1 GLY 7521 HA2 0.02 0.14 0.81 -0.51 4.01 4.47 1a9xH1 GLY 7521 HA3 0.01 0.05 0.42 -0.51 4.01 3.98 1a9xH1 ALA 7522 H 0.01 0.71 0.06 -0.55 8.40 8.63 1a9xH1 ALA 7522 HA 0.00 0.08 0.52 -0.75 4.34 4.19 1a9xH1 ALA 7522 HB3 0.00 0.01 -0.22 -0.04 1.41 1.16 1a9xH1 THR 7523 H 0.00 0.11 0.13 -0.55 8.28 7.97 1a9xH1 THR 7523 HA 0.00 0.17 0.72 -0.75 4.39 4.52 1a9xH1 THR 7523 HB 0.00 -0.03 0.10 -0.04 4.32 4.34 1a9xH1 THR 7523 HG23 0.00 -0.01 0.11 -0.04 1.22 1.29 1a9xH1 GLY 7524 H 0.00 0.79 0.46 -0.55 8.43 9.13 1a9xH1 GLY 7524 HA2 0.00 -0.05 0.35 -0.51 4.01 3.81 1a9xH1 GLY 7524 HA3 0.00 0.30 1.02 -0.51 4.01 4.82 1a9xH1 SER 7525 H 0.00 0.28 0.25 -0.55 8.46 8.44 1a9xH1 SER 7525 HA -0.00 0.33 1.09 -0.75 4.49 5.16 1a9xH1 SER 7525 HB2 0.00 -0.01 0.08 -0.04 3.95 3.99 1a9xH1 SER 7525 HB3 0.01 -0.11 -0.02 -0.04 3.93 3.76 1a9xH1 ALA 7526 H -0.01 0.64 0.43 -0.55 8.40 8.91 1a9xH1 ALA 7526 HA -0.01 0.18 0.84 -0.75 4.34 4.59 1a9xH1 ALA 7526 HB3 -0.03 -0.01 -0.04 -0.04 1.41 1.29 1a9xH1 VAL 7527 H -0.05 0.27 0.17 -0.55 8.24 8.08 1a9xH1 VAL 7527 HA -0.12 0.32 1.16 -0.75 4.13 4.73 1a9xH1 VAL 7527 HB -0.00 -0.04 0.03 -0.04 2.12 2.08 1a9xH1 VAL 7527 HG13 -0.10 0.04 -0.12 -0.04 0.97 0.75 1a9xH1 VAL 7527 HG23 -0.00 -0.04 -0.33 -0.04 0.95 0.53 1a9xH1 GLY 7528 H -0.35 0.73 0.43 -0.55 8.43 8.69 1a9xH1 GLY 7528 HA2 -1.60 0.05 0.43 -0.51 4.01 2.38 1a9xH1 GLY 7528 HA3 -0.39 0.08 0.32 -0.51 4.01 3.50 1a9xH1 GLU 7529 H -0.21 0.54 0.40 -0.55 8.60 8.79 1a9xH1 GLU 7529 HA -0.06 0.09 0.77 -0.75 4.29 4.33 1a9xH1 GLU 7529 HB2 0.15 -0.09 0.13 -0.04 2.09 2.24 1a9xH1 GLU 7529 HB3 0.07 0.06 0.22 -0.04 1.99 2.30 1a9xH1 GLU 7529 HG2 0.02 0.01 -0.27 -0.04 2.34 2.06 1a9xH1 GLU 7529 HG3 0.04 0.05 -0.03 -0.04 2.34 2.35 1a9xH1 VAL 7530 H -0.03 0.75 0.44 -0.55 8.24 8.85 1a9xH1 VAL 7530 HA -0.07 0.20 0.76 -0.75 4.13 4.27 1a9xH1 VAL 7530 HB -0.01 0.01 0.19 -0.04 2.12 2.28 1a9xH1 VAL 7530 HG13 -0.05 -0.02 -0.25 -0.04 0.97 0.61 1a9xH1 VAL 7530 HG23 -0.04 -0.00 -0.14 -0.04 0.95 0.73 1a9xH1 VAL 7531 H -0.08 0.59 0.34 -0.55 8.24 8.54 1a9xH1 VAL 7531 HA -0.05 0.21 0.91 -0.75 4.13 4.45 1a9xH1 VAL 7531 HB -0.47 0.02 0.07 -0.04 2.12 1.71 1a9xH1 VAL 7531 HG13 -0.03 0.00 -0.26 -0.04 0.97 0.64 1a9xH1 VAL 7531 HG23 -0.25 -0.01 -0.19 -0.04 0.95 0.46 1a9xH1 PHE 7532 H -0.30 0.25 0.15 -0.55 8.34 7.89 1a9xH1 PHE 7532 HA -0.08 0.42 1.19 -0.75 4.62 5.40 1a9xH1 PHE 7532 HB2 -0.06 -0.01 -0.00 -0.04 3.15 3.04 1a9xH1 PHE 7532 HB3 -0.09 -0.02 -0.15 -0.04 3.06 2.76 1a9xH1 PHE 7532 HD2 -0.06 -0.03 -0.23 -0.04 7.28 6.92 1a9xH1 PHE 7532 HE2 -0.34 -0.00 -0.13 -0.04 7.38 6.86 1a9xH1 PHE 7532 HZ -0.63 0.01 -0.06 -0.04 7.32 6.60 1a9xH1 ASN 7533 H 0.13 0.64 0.35 -0.55 8.53 9.10 1a9xH1 ASN 7533 HA 0.21 0.42 0.87 -0.75 4.76 5.51 1a9xH1 ASN 7533 HB2 0.07 0.08 -0.11 -0.04 2.88 2.87 1a9xH1 ASN 7533 HB3 0.05 -0.00 0.08 -0.04 2.79 2.88 1a9xH1 ASN 7533 HD21 0.23 0.01 -0.06 -0.04 7.03 7.17 1a9xH1 ASN 7533 HD22 0.31 0.09 -0.06 -0.04 7.74 8.04 1a9xH1 THR 7534 H 0.23 0.50 0.31 -0.55 8.28 8.78 1a9xH1 THR 7534 HA 0.17 0.09 0.66 -0.75 4.39 4.56 1a9xH1 THR 7534 HB 0.15 0.02 0.18 -0.04 4.32 4.62 1a9xH1 THR 7534 HG23 0.30 0.06 0.01 -0.04 1.22 1.54 1a9xH1 SER 7535 H 0.14 0.12 -0.40 -0.55 8.46 7.77 1a9xH1 SER 7535 HA 0.09 -0.06 0.49 -0.75 4.49 4.25 1a9xH1 SER 7535 HB2 0.10 0.06 0.02 -0.04 3.95 4.09 1a9xH1 SER 7535 HB3 0.07 0.13 0.03 -0.04 3.93 4.12 1a9xH1 MET 7536 H 0.02 0.13 0.22 -0.55 8.47 8.29 1a9xH1 MET 7536 HA 0.02 0.12 0.59 -0.75 4.52 4.50 1a9xH1 MET 7536 HB2 -0.14 -0.01 0.11 -0.04 2.15 2.06 1a9xH1 MET 7536 HB3 -0.55 0.01 0.15 -0.04 2.03 1.59 1a9xH1 MET 7536 HG2 -0.00 -0.02 0.01 -0.04 2.63 2.58 1a9xH1 MET 7536 HG3 0.01 0.08 0.08 -0.04 2.56 2.68 1a9xH1 MET 7536 HE3 -0.04 -0.00 0.03 -0.04 2.10 2.04 1a9xH1 THR 7537 H 0.02 0.09 -0.18 -0.55 8.28 7.66 1a9xH1 THR 7537 HA 0.06 0.15 0.72 -0.75 4.39 4.57 1a9xH1 THR 7537 HB -0.03 -0.07 0.09 -0.04 4.32 4.26 1a9xH1 THR 7537 HG23 -0.03 0.02 -0.12 -0.04 1.22 1.05 1a9xH1 GLY 7538 H -0.10 0.13 0.12 -0.55 8.43 8.03 1a9xH1 GLY 7538 HA2 -0.21 0.01 0.33 -0.51 4.01 3.63 1a9xH1 GLY 7538 HA3 -0.06 0.12 0.43 -0.51 4.01 3.98 1a9xH1 TYR 7539 H -0.34 0.08 -0.03 -0.55 8.29 7.44 1a9xH1 TYR 7539 HA -0.01 0.18 0.36 -0.75 4.56 4.33 1a9xH1 TYR 7539 HB2 -0.02 0.09 -0.02 -0.04 3.06 3.07 1a9xH1 TYR 7539 HB3 0.01 0.09 -0.03 -0.04 2.98 3.01 1a9xH1 TYR 7539 HD2 -0.02 0.10 -0.15 -0.04 7.15 7.04 1a9xH1 TYR 7539 HE2 -0.06 0.06 0.01 -0.04 6.85 6.82 1a9xH1 GLN 7540 H -0.77 -0.02 -0.14 -0.55 8.47 7.00 1a9xH1 GLN 7540 HA -0.11 0.15 0.43 -0.75 4.36 4.07 1a9xH1 GLN 7540 HB2 -0.48 -0.03 0.10 -0.04 2.15 1.70 1a9xH1 GLN 7540 HB3 -0.31 0.04 0.07 -0.04 2.02 1.78 1a9xH1 GLN 7540 HG2 -0.17 0.11 -0.18 -0.04 2.40 2.12 1a9xH1 GLN 7540 HG3 -0.43 -0.01 -0.02 -0.04 2.39 1.88 1a9xH1 GLN 7540 HE21 -0.16 0.08 -0.18 -0.04 6.97 6.67 1a9xH1 GLN 7540 HE22 -0.20 0.05 -0.18 -0.04 7.69 7.32 1a9xH1 GLU 7541 H -0.18 -0.09 -0.18 -0.55 8.60 7.61 1a9xH1 GLU 7541 HA -0.03 0.11 0.31 -0.75 4.29 3.93 1a9xH1 GLU 7541 HB2 -0.04 0.01 -0.04 -0.04 2.09 1.98 1a9xH1 GLU 7541 HB3 -0.01 0.22 -0.30 -0.04 1.99 1.85 1a9xH1 GLU 7541 HG2 -0.09 0.02 -0.14 -0.04 2.34 2.09 1a9xH1 GLU 7541 HG3 -0.11 0.28 -0.04 -0.04 2.34 2.43 1a9xH1 ILE 7542 H 0.01 0.27 -0.32 -0.55 8.25 7.66 1a9xH1 ILE 7542 HA 0.21 0.08 0.40 -0.75 4.18 4.11 1a9xH1 ILE 7542 HB 0.04 -0.00 0.11 -0.04 1.89 2.00 1a9xH1 ILE 7542 HG12 0.19 -0.01 -0.01 -0.04 1.49 1.62 1a9xH1 ILE 7542 HG13 0.08 0.06 0.06 -0.04 1.21 1.37 1a9xH1 ILE 7542 HG23 -0.17 -0.00 -0.18 -0.04 0.93 0.53 1a9xH1 ILE 7542 HD13 0.08 -0.05 -0.12 -0.04 0.88 0.75 1a9xH1 LEU 7543 H 0.04 0.41 -0.19 -0.55 8.37 8.08 1a9xH1 LEU 7543 HA 0.02 0.01 0.37 -0.75 4.35 4.00 1a9xH1 LEU 7543 HB2 0.07 0.19 0.12 -0.04 1.64 1.98 1a9xH1 LEU 7543 HB3 0.08 -0.05 -0.09 -0.04 1.64 1.55 1a9xH1 LEU 7543 HG 0.06 0.07 0.08 -0.04 1.64 1.80 1a9xH1 LEU 7543 HD13 0.13 -0.04 -0.09 -0.04 0.93 0.89 1a9xH1 LEU 7543 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 1a9xH1 THR 7544 H 0.08 0.37 -0.30 -0.55 8.28 7.88 1a9xH1 THR 7544 HA 0.20 0.06 1.08 -0.75 4.39 4.97 1a9xH1 THR 7544 HB 0.14 0.12 0.12 -0.04 4.32 4.66 1a9xH1 THR 7544 HG23 0.08 0.02 -0.17 -0.04 1.22 1.12 1a9xH1 ASP 7545 H 0.19 0.37 -0.44 -0.55 8.40 7.98 1a9xH1 ASP 7545 HA 0.02 0.08 0.52 -0.75 4.63 4.50 1a9xH1 ASP 7545 HB2 0.13 0.13 0.13 -0.04 2.71 3.06 1a9xH1 ASP 7545 HB3 0.30 0.13 0.18 -0.04 2.70 3.27 1a9xH1 PRO 7546 HA -0.56 0.09 0.32 -0.51 4.44 3.78 1a9xH1 PRO 7546 HB2 -0.14 0.07 0.09 -0.04 2.28 2.26 1a9xH1 PRO 7546 HB3 -0.46 0.04 0.09 -0.04 2.02 1.64 1a9xH1 PRO 7546 HG2 -0.12 0.03 -0.40 -0.04 2.03 1.49 1a9xH1 PRO 7546 HG3 -0.36 0.03 -0.04 -0.04 2.03 1.62 1a9xH1 PRO 7546 HD2 -0.09 0.04 0.04 -0.04 3.68 3.63 1a9xH1 PRO 7546 HD3 -0.12 0.24 0.13 -0.04 3.65 3.86 1a9xH1 SER 7547 H -0.10 0.12 -0.32 -0.55 8.46 7.62 1a9xH1 SER 7547 HA -0.05 0.01 0.05 -0.75 4.49 3.74 1a9xH1 SER 7547 HB2 -0.31 -0.01 -0.09 -0.04 3.95 3.50 1a9xH1 SER 7547 HB3 -0.16 0.05 -0.03 -0.04 3.93 3.75 1a9xH1 TYR 7548 H 0.05 0.41 -0.70 -0.55 8.29 7.50 1a9xH1 TYR 7548 HA 0.05 0.14 0.71 -0.75 4.56 4.70 1a9xH1 TYR 7548 HB2 0.07 0.17 -0.00 -0.04 3.06 3.25 1a9xH1 TYR 7548 HB3 0.04 -0.10 0.08 -0.04 2.98 2.96 1a9xH1 TYR 7548 HD2 0.01 0.17 -0.02 -0.04 7.15 7.28 1a9xH1 TYR 7548 HE2 -0.06 -0.04 -0.07 -0.04 6.85 6.64 1a9xH1 SER 7549 H 0.13 0.59 -0.13 -0.55 8.46 8.51 1a9xH1 SER 7549 HA 0.18 0.26 0.40 -0.75 4.49 4.57 1a9xH1 SER 7549 HB2 0.20 0.11 0.17 -0.04 3.95 4.38 1a9xH1 SER 7549 HB3 0.13 -0.13 0.06 -0.04 3.93 3.95 1a9xH1 ARG 7550 H 0.11 0.23 0.27 -0.55 8.46 8.51 1a9xH1 ARG 7550 HA 0.08 0.06 0.45 -0.75 4.34 4.18 1a9xH1 ARG 7550 HB2 0.23 0.03 0.11 -0.04 1.90 2.23 1a9xH1 ARG 7550 HB3 0.34 -0.03 0.26 -0.04 1.80 2.33 1a9xH1 ARG 7550 HG2 0.14 -0.07 -0.10 -0.04 1.67 1.60 1a9xH1 ARG 7550 HG3 0.16 -0.01 -0.06 -0.04 1.67 1.71 1a9xH1 ARG 7550 HD2 0.20 0.05 0.13 -0.04 3.22 3.56 1a9xH1 ARG 7550 HD3 0.12 0.04 0.08 -0.04 3.22 3.42 1a9xH1 GLN 7551 H 0.09 0.41 -0.05 -0.55 8.47 8.38 1a9xH1 GLN 7551 HA -0.01 0.15 1.15 -0.75 4.36 4.90 1a9xH1 GLN 7551 HB2 0.19 0.25 -0.03 -0.04 2.15 2.53 1a9xH1 GLN 7551 HB3 0.10 -0.10 -0.16 -0.04 2.02 1.83 1a9xH1 GLN 7551 HG2 0.06 0.00 -0.05 -0.04 2.40 2.37 1a9xH1 GLN 7551 HG3 0.10 -0.00 -0.11 -0.04 2.39 2.34 1a9xH1 GLN 7551 HE21 0.13 -0.04 -0.07 -0.04 6.97 6.95 1a9xH1 GLN 7551 HE22 0.10 -0.04 -0.09 -0.04 7.69 7.62 1a9xH1 ILE 7552 H -0.07 0.92 0.15 -0.55 8.25 8.71 1a9xH1 ILE 7552 HA -0.06 -0.02 0.77 -0.75 4.18 4.12 1a9xH1 ILE 7552 HB -0.09 0.05 -0.22 -0.04 1.89 1.59 1a9xH1 ILE 7552 HG12 -0.07 0.01 -0.39 -0.04 1.49 0.99 1a9xH1 ILE 7552 HG13 -0.13 -0.03 -0.53 -0.04 1.21 0.48 1a9xH1 ILE 7552 HG23 -0.08 -0.03 -0.41 -0.04 0.93 0.37 1a9xH1 ILE 7552 HD13 -0.09 0.02 -0.41 -0.04 0.88 0.35 1a9xH1 VAL 7553 H -0.10 0.57 0.23 -0.55 8.24 8.38 1a9xH1 VAL 7553 HA -0.17 0.17 0.85 -0.75 4.13 4.23 1a9xH1 VAL 7553 HB -0.19 -0.00 0.14 -0.04 2.12 2.03 1a9xH1 VAL 7553 HG13 -0.28 -0.03 -0.26 -0.04 0.97 0.36 1a9xH1 VAL 7553 HG23 -0.52 0.03 -0.10 -0.04 0.95 0.32 1a9xH1 THR 7554 H -0.09 0.78 0.39 -0.55 8.28 8.82 1a9xH1 THR 7554 HA -0.08 0.22 1.02 -0.75 4.39 4.80 1a9xH1 THR 7554 HB 0.01 -0.03 0.03 -0.04 4.32 4.29 1a9xH1 THR 7554 HG23 -0.12 -0.01 -0.19 -0.04 1.22 0.85 1a9xH1 LEU 7555 H -0.05 0.56 0.26 -0.55 8.37 8.58 1a9xH1 LEU 7555 HA 0.04 0.15 0.89 -0.75 4.35 4.68 1a9xH1 LEU 7555 HB2 -0.03 0.01 0.13 -0.04 1.64 1.71 1a9xH1 LEU 7555 HB3 0.05 0.01 -0.01 -0.04 1.64 1.64 1a9xH1 LEU 7555 HG -0.03 0.02 -0.16 -0.04 1.64 1.43 1a9xH1 LEU 7555 HD13 0.06 -0.01 -0.07 -0.04 0.93 0.87 1a9xH1 LEU 7555 HD23 0.03 0.03 -0.03 -0.04 0.89 0.89 1a9xH1 THR 7556 H 0.08 0.43 0.19 -0.55 8.28 8.43 1a9xH1 THR 7556 HA -0.05 0.05 0.32 -0.75 4.39 3.96 1a9xH1 THR 7556 HB -0.02 -0.01 -0.02 -0.04 4.32 4.22 1a9xH1 THR 7556 HG23 -0.05 0.02 -0.12 -0.04 1.22 1.03 1a9xH1 TYR 7557 H 0.15 0.11 -0.17 -0.55 8.29 7.83 1a9xH1 TYR 7557 HA -0.02 0.10 0.46 -0.75 4.56 4.34 1a9xH1 TYR 7557 HB2 0.03 -0.02 -0.00 -0.04 3.06 3.02 1a9xH1 TYR 7557 HB3 0.02 0.04 0.04 -0.04 2.98 3.05 1a9xH1 TYR 7557 HD2 0.02 0.06 0.01 -0.04 7.15 7.21 1a9xH1 TYR 7557 HE2 0.07 0.03 0.09 -0.04 6.85 7.00 1a9xH1 PRO 7558 HA -0.34 0.01 0.42 -0.51 4.44 4.02 1a9xH1 PRO 7558 HB2 -0.69 0.03 -0.02 -0.04 2.28 1.55 1a9xH1 PRO 7558 HB3 -0.34 0.01 0.12 -0.04 2.02 1.76 1a9xH1 PRO 7558 HG2 -0.48 0.02 0.10 -0.04 2.03 1.63 1a9xH1 PRO 7558 HG3 -0.26 0.06 0.12 -0.04 2.03 1.90 1a9xH1 PRO 7558 HD2 -1.25 0.05 0.22 -0.04 3.68 2.66 1a9xH1 PRO 7558 HD3 -0.21 0.27 0.33 -0.04 3.65 4.00 1a9xH1 HIS 7559 H -1.11 0.12 -0.14 -0.55 8.41 6.74 1a9xH1 HIS 7559 HA -0.16 0.34 0.94 -0.75 4.63 5.00 1a9xH1 HIS 7559 HB2 0.06 -0.03 0.18 -0.04 3.26 3.43 1a9xH1 HIS 7559 HB3 -0.01 -0.03 -0.01 -0.04 3.20 3.10 1a9xH1 HIS 7559 HD2 -0.01 0.00 0.01 -0.04 6.97 6.93 1a9xH1 HIS 7559 HE1 -0.05 0.02 -0.09 -0.04 7.75 7.59 1a9xH1 ILE 7560 H -0.08 0.70 0.28 -0.55 8.25 8.59 1a9xH1 ILE 7560 HA -0.17 0.06 0.98 -0.75 4.18 4.29 1a9xH1 ILE 7560 HB -0.17 0.01 0.07 -0.04 1.89 1.77 1a9xH1 ILE 7560 HG12 -0.09 0.03 -0.35 -0.04 1.49 1.04 1a9xH1 ILE 7560 HG13 -0.06 -0.01 -0.06 -0.04 1.21 1.04 1a9xH1 ILE 7560 HG23 -0.29 -0.02 -0.09 -0.04 0.93 0.49 1a9xH1 ILE 7560 HD13 0.12 0.03 -0.15 -0.04 0.88 0.84 1a9xH1 GLY 7561 H -0.75 0.06 0.21 -0.55 8.43 7.40 1a9xH1 GLY 7561 HA2 -0.61 0.02 0.34 -0.51 4.01 3.25 1a9xH1 GLY 7561 HA3 -0.25 0.26 0.89 -0.51 4.01 4.40 1a9xH1 ASN 7562 H -0.02 0.15 0.04 -0.55 8.53 8.15 1a9xH1 ASN 7562 HA 0.01 0.22 0.34 -0.75 4.76 4.57 1a9xH1 ASN 7562 HB2 0.11 -0.02 0.07 -0.04 2.88 2.99 1a9xH1 ASN 7562 HB3 0.04 0.06 0.11 -0.04 2.79 2.95 1a9xH1 ASN 7562 HD21 0.24 0.01 0.06 -0.04 7.03 7.30 1a9xH1 ASN 7562 HD22 0.13 -0.01 0.05 -0.04 7.74 7.87 1a9xH1 VAL 7563 H 0.25 0.01 -0.33 -0.55 8.24 7.62 1a9xH1 VAL 7563 HA 0.04 0.18 0.82 -0.75 4.13 4.41 1a9xH1 VAL 7563 HB -0.03 -0.03 0.07 -0.04 2.12 2.08 1a9xH1 VAL 7563 HG13 0.04 0.03 -0.12 -0.04 0.97 0.88 1a9xH1 VAL 7563 HG23 0.03 0.01 -0.08 -0.04 0.95 0.86 1a9xH1 GLY 7564 H 0.11 0.41 -0.18 -0.55 8.43 8.22 1a9xH1 GLY 7564 HA2 0.06 -0.07 0.37 -0.51 4.01 3.85 1a9xH1 GLY 7564 HA3 0.02 0.04 0.42 -0.51 4.01 3.99 1a9xH1 THR 7565 H -0.03 0.15 0.31 -0.55 8.28 8.16 1a9xH1 THR 7565 HA -0.19 0.10 0.72 -0.75 4.39 4.27 1a9xH1 THR 7565 HB -0.55 0.02 0.01 -0.04 4.32 3.76 1a9xH1 THR 7565 HG23 -0.28 -0.03 -0.34 -0.04 1.22 0.52 1a9xH1 ASN 7566 H -0.18 0.38 0.16 -0.55 8.53 8.35 1a9xH1 ASN 7566 HA -0.02 0.13 0.53 -0.75 4.76 4.65 1a9xH1 ASN 7566 HB2 -0.04 0.06 0.17 -0.04 2.88 3.03 1a9xH1 ASN 7566 HB3 -0.09 0.26 -0.23 -0.04 2.79 2.68 1a9xH1 ASN 7566 HD21 -0.24 -0.02 -0.16 -0.04 7.03 6.57 1a9xH1 ASN 7566 HD22 -0.18 0.03 -0.35 -0.04 7.74 7.19 1a9xH1 ASP 7567 H 0.02 0.24 0.13 -0.55 8.40 8.24 1a9xH1 ASP 7567 HA 0.06 0.14 0.41 -0.75 4.63 4.49 1a9xH1 ASP 7567 HB2 0.05 -0.02 0.11 -0.04 2.71 2.81 1a9xH1 ASP 7567 HB3 0.06 0.09 -0.04 -0.04 2.70 2.77 1a9xH1 ALA 7568 H -0.00 0.08 -0.12 -0.55 8.40 7.80 1a9xH1 ALA 7568 HA 0.03 0.18 0.45 -0.75 4.34 4.25 1a9xH1 ALA 7568 HB3 -0.03 0.01 0.04 -0.04 1.41 1.39 1a9xH1 ASP 7569 H -0.12 0.19 -0.59 -0.55 8.40 7.33 1a9xH1 ASP 7569 HA -0.17 0.25 0.78 -0.75 4.63 4.74 1a9xH1 ASP 7569 HB2 -0.23 -0.02 0.05 -0.04 2.71 2.47 1a9xH1 ASP 7569 HB3 -0.22 -0.11 0.08 -0.04 2.70 2.41 1a9xH1 GLU 7570 H -0.01 0.43 -0.60 -0.55 8.60 7.88 1a9xH1 GLU 7570 HA 0.02 0.06 0.72 -0.75 4.29 4.33 1a9xH1 GLU 7570 HB2 0.07 0.27 0.16 -0.04 2.09 2.54 1a9xH1 GLU 7570 HB3 0.10 0.18 -0.02 -0.04 1.99 2.21 1a9xH1 GLU 7570 HG2 0.11 0.01 -0.09 -0.04 2.34 2.33 1a9xH1 GLU 7570 HG3 0.05 -0.09 -0.20 -0.04 2.34 2.06 1a9xH1 GLU 7571 H 0.05 0.21 0.06 -0.55 8.60 8.37 1a9xH1 GLU 7571 HA 0.05 0.06 0.59 -0.75 4.29 4.23 1a9xH1 GLU 7571 HB2 0.04 0.13 -0.06 -0.04 2.09 2.17 1a9xH1 GLU 7571 HB3 0.03 -0.10 0.13 -0.04 1.99 2.01 1a9xH1 GLU 7571 HG2 0.00 -0.07 -0.13 -0.04 2.34 2.10 1a9xH1 GLU 7571 HG3 0.02 0.22 0.04 -0.04 2.34 2.58 1a9xH1 SER 7572 H 0.11 0.28 -0.17 -0.55 8.46 8.13 1a9xH1 SER 7572 HA 0.13 0.03 0.48 -0.75 4.49 4.37 1a9xH1 SER 7572 HB2 0.14 -0.08 0.21 -0.04 3.95 4.17 1a9xH1 SER 7572 HB3 0.03 0.07 -0.01 -0.04 3.93 3.98 1a9xH1 SER 7573 H 0.16 0.16 0.14 -0.55 8.46 8.37 1a9xH1 SER 7573 HA 0.12 0.03 0.37 -0.75 4.49 4.26 1a9xH1 SER 7573 HB2 0.09 0.03 -0.01 -0.04 3.95 4.02 1a9xH1 SER 7573 HB3 0.09 -0.01 0.11 -0.04 3.93 4.09 1a9xH1 GLN 7574 H 0.24 0.09 -0.38 -0.55 8.47 7.88 1a9xH1 GLN 7574 HA 0.12 0.24 0.85 -0.75 4.36 4.82 1a9xH1 GLN 7574 HB2 -0.08 0.08 -0.02 -0.04 2.15 2.10 1a9xH1 GLN 7574 HB3 0.03 0.05 -0.23 -0.04 2.02 1.83 1a9xH1 GLN 7574 HG2 0.11 -0.16 -0.17 -0.04 2.40 2.14 1a9xH1 GLN 7574 HG3 -0.49 0.00 -0.34 -0.04 2.39 1.52 1a9xH1 GLN 7574 HE21 -0.25 0.01 -0.08 -0.04 6.97 6.61 1a9xH1 GLN 7574 HE22 -0.74 0.12 -0.33 -0.04 7.69 6.70 1a9xH1 VAL 7575 H 0.01 0.20 0.07 -0.55 8.24 7.97 1a9xH1 VAL 7575 HA 0.07 0.03 0.43 -0.75 4.13 3.91 1a9xH1 VAL 7575 HB -0.03 0.08 0.11 -0.04 2.12 2.24 1a9xH1 VAL 7575 HG13 0.03 0.01 -0.26 -0.04 0.97 0.72 1a9xH1 VAL 7575 HG23 -0.32 -0.03 -0.11 -0.04 0.95 0.45 1a9xH1 HIS 7576 H 0.29 0.30 0.26 -0.55 8.41 8.72 1a9xH1 HIS 7576 HA 0.07 0.22 0.80 -0.75 4.63 4.97 1a9xH1 HIS 7576 HB2 0.12 0.17 -0.23 -0.04 3.26 3.28 1a9xH1 HIS 7576 HB3 0.10 -0.08 -0.05 -0.04 3.20 3.13 1a9xH1 HIS 7576 HD2 0.08 0.38 -0.29 -0.04 6.97 7.09 1a9xH1 HIS 7576 HE1 0.07 0.04 -0.04 -0.04 7.75 7.77 1a9xH1 ALA 7577 H 0.14 0.28 0.06 -0.55 8.40 8.33 1a9xH1 ALA 7577 HA 0.12 0.18 0.42 -0.75 4.34 4.31 1a9xH1 ALA 7577 HB3 -0.02 -0.03 0.09 -0.04 1.41 1.41 1a9xH1 GLN 7578 H 0.04 0.48 0.40 -0.55 8.47 8.84 1a9xH1 GLN 7578 HA 0.02 0.11 0.47 -0.75 4.36 4.20 1a9xH1 GLN 7578 HB2 0.01 -0.15 0.08 -0.04 2.15 2.05 1a9xH1 GLN 7578 HB3 -0.04 -0.04 -0.44 -0.04 2.02 1.45 1a9xH1 GLN 7578 HG2 -0.07 0.23 -0.20 -0.04 2.40 2.32 1a9xH1 GLN 7578 HG3 -0.03 -0.09 -0.15 -0.04 2.39 2.08 1a9xH1 GLN 7578 HE21 0.02 0.05 0.14 -0.04 6.97 7.14 1a9xH1 GLN 7578 HE22 -0.00 -0.27 0.21 -0.04 7.69 7.59 1a9xH1 GLY 7579 H -0.03 0.24 0.07 -0.55 8.43 8.17 1a9xH1 GLY 7579 HA2 -0.02 0.23 0.48 -0.51 4.01 4.20 1a9xH1 GLY 7579 HA3 -0.04 -0.04 0.26 -0.51 4.01 3.69 1a9xH1 LEU 7580 H -0.03 0.44 0.27 -0.55 8.37 8.50 1a9xH1 LEU 7580 HA -0.06 0.32 0.99 -0.75 4.35 4.84 1a9xH1 LEU 7580 HB2 -0.02 0.06 -0.12 -0.04 1.64 1.51 1a9xH1 LEU 7580 HB3 -0.02 -0.05 -0.01 -0.04 1.64 1.51 1a9xH1 LEU 7580 HG -0.05 -0.01 -0.33 -0.04 1.64 1.21 1a9xH1 LEU 7580 HD13 -0.04 0.04 -0.02 -0.04 0.93 0.87 1a9xH1 LEU 7580 HD23 -0.02 -0.02 -0.17 -0.04 0.89 0.65 1a9xH1 VAL 7581 H -0.08 0.72 0.28 -0.55 8.24 8.61 1a9xH1 VAL 7581 HA -0.08 0.28 0.94 -0.75 4.13 4.52 1a9xH1 VAL 7581 HB -0.11 -0.00 -0.03 -0.04 2.12 1.94 1a9xH1 VAL 7581 HG13 -0.18 -0.01 -0.24 -0.04 0.97 0.49 1a9xH1 VAL 7581 HG23 -0.10 -0.01 -0.41 -0.04 0.95 0.39 1a9xH1 ILE 7582 H -0.08 0.68 0.30 -0.55 8.25 8.59 1a9xH1 ILE 7582 HA -0.10 0.25 0.89 -0.75 4.18 4.47 1a9xH1 ILE 7582 HB -0.11 0.00 0.14 -0.04 1.89 1.88 1a9xH1 ILE 7582 HG12 -0.07 0.09 -0.18 -0.04 1.49 1.29 1a9xH1 ILE 7582 HG13 -0.08 -0.15 -0.43 -0.04 1.21 0.52 1a9xH1 ILE 7582 HG23 -0.08 -0.00 -0.25 -0.04 0.93 0.56 1a9xH1 ILE 7582 HD13 -0.09 0.02 -0.18 -0.04 0.88 0.59 1a9xH1 ARG 7583 H -0.14 0.29 0.24 -0.55 8.46 8.30 1a9xH1 ARG 7583 HA -0.10 0.12 0.83 -0.75 4.34 4.44 1a9xH1 ARG 7583 HB2 -0.14 -0.05 0.18 -0.04 1.90 1.84 1a9xH1 ARG 7583 HB3 -0.21 0.09 0.31 -0.04 1.80 1.94 1a9xH1 ARG 7583 HG2 -0.18 -0.04 0.05 -0.04 1.67 1.46 1a9xH1 ARG 7583 HG3 -0.19 0.03 -0.21 -0.04 1.67 1.26 1a9xH1 ARG 7583 HD2 -0.08 -0.08 0.16 -0.04 3.22 3.17 1a9xH1 ARG 7583 HD3 -0.09 0.15 0.11 -0.04 3.22 3.36 1a9xH1 ASP 7584 H -0.14 0.39 0.28 -0.55 8.40 8.37 1a9xH1 ASP 7584 HA -0.05 0.06 0.78 -0.75 4.63 4.66 1a9xH1 ASP 7584 HB2 -0.15 0.01 -0.24 -0.04 2.71 2.29 1a9xH1 ASP 7584 HB3 -0.17 0.01 -0.04 -0.04 2.70 2.47 1a9xH1 LEU 7585 H -0.02 0.22 0.10 -0.55 8.37 8.12 1a9xH1 LEU 7585 HA -0.05 0.31 0.80 -0.75 4.35 4.66 1a9xH1 LEU 7585 HB2 -0.04 -0.03 -0.02 -0.04 1.64 1.51 1a9xH1 LEU 7585 HB3 -0.02 -0.00 0.10 -0.04 1.64 1.68 1a9xH1 LEU 7585 HG -0.02 0.19 -0.25 -0.04 1.64 1.52 1a9xH1 LEU 7585 HD13 -0.05 -0.00 0.02 -0.04 0.93 0.86 1a9xH1 LEU 7585 HD23 -0.01 -0.02 -0.04 -0.04 0.89 0.78 1a9xH1 PRO 7586 HA -0.00 0.01 0.41 -0.51 4.44 4.36 1a9xH1 PRO 7586 HB2 -0.03 0.24 -0.10 -0.04 2.28 2.35 1a9xH1 PRO 7586 HB3 -0.07 -0.02 -0.00 -0.04 2.02 1.89 1a9xH1 PRO 7586 HG2 -0.04 0.06 -0.30 -0.04 2.03 1.72 1a9xH1 PRO 7586 HG3 -0.03 -0.14 -0.48 -0.04 2.03 1.34 1a9xH1 PRO 7586 HD2 -0.06 0.21 0.21 -0.04 3.68 4.00 1a9xH1 PRO 7586 HD3 -0.00 0.13 -0.01 -0.04 3.65 3.72 1a9xH1 LEU 7587 H -0.02 0.10 0.16 -0.55 8.37 8.06 1a9xH1 LEU 7587 HA -0.00 0.08 0.36 -0.75 4.35 4.04 1a9xH1 LEU 7587 HB2 -0.02 -0.06 0.16 -0.04 1.64 1.69 1a9xH1 LEU 7587 HB3 -0.01 0.03 -0.03 -0.04 1.64 1.59 1a9xH1 LEU 7587 HG -0.00 0.02 0.05 -0.04 1.64 1.67 1a9xH1 LEU 7587 HD13 -0.00 0.01 0.06 -0.04 0.93 0.96 1a9xH1 LEU 7587 HD23 -0.01 -0.00 0.04 -0.04 0.89 0.88 1a9xH1 ILE 7588 H -0.02 0.11 -0.18 -0.55 8.25 7.61 1a9xH1 ILE 7588 HA 0.00 0.21 0.90 -0.75 4.18 4.54 1a9xH1 ILE 7588 HB 0.01 0.08 0.05 -0.04 1.89 1.99 1a9xH1 ILE 7588 HG12 -0.01 -0.08 -0.10 -0.04 1.49 1.26 1a9xH1 ILE 7588 HG13 -0.00 -0.02 -0.45 -0.04 1.21 0.69 1a9xH1 ILE 7588 HG23 0.00 -0.01 -0.19 -0.04 0.93 0.69 1a9xH1 ILE 7588 HD13 0.01 0.03 -0.13 -0.04 0.88 0.75 1a9xH1 ALA 7589 H 0.01 0.14 0.14 -0.55 8.40 8.15 1a9xH1 ALA 7589 HA 0.02 0.21 0.49 -0.75 4.34 4.30 1a9xH1 ALA 7589 HB3 0.02 -0.04 -0.08 -0.04 1.41 1.27 1a9xH1 SER 7590 H 0.03 0.78 0.19 -0.55 8.46 8.91 1a9xH1 SER 7590 HA 0.03 0.17 0.86 -0.75 4.49 4.79 1a9xH1 SER 7590 HB2 0.02 0.03 -0.18 -0.04 3.95 3.77 1a9xH1 SER 7590 HB3 0.02 0.01 0.15 -0.04 3.93 4.07 1a9xH1 ASN 7591 H 0.03 0.32 -0.04 -0.55 8.53 8.30 1a9xH1 ASN 7591 HA 0.08 0.14 0.57 -0.75 4.76 4.80 1a9xH1 ASN 7591 HB2 0.01 0.13 -0.02 -0.04 2.88 2.95 1a9xH1 ASN 7591 HB3 -0.06 0.06 0.05 -0.04 2.79 2.80 1a9xH1 ASN 7591 HD21 0.08 0.02 0.05 -0.04 7.03 7.14 1a9xH1 ASN 7591 HD22 0.06 0.11 0.11 -0.04 7.74 7.98 1a9xH1 PHE 7592 H 0.36 0.19 0.12 -0.55 8.34 8.46 1a9xH1 PHE 7592 HA 0.03 0.14 0.40 -0.75 4.62 4.44 1a9xH1 PHE 7592 HB2 0.04 0.07 0.13 -0.04 3.15 3.35 1a9xH1 PHE 7592 HB3 0.03 -0.01 0.12 -0.04 3.06 3.16 1a9xH1 PHE 7592 HD2 0.05 -0.00 -0.01 -0.04 7.28 7.27 1a9xH1 PHE 7592 HE2 0.09 0.03 -0.04 -0.04 7.38 7.42 1a9xH1 PHE 7592 HZ 0.15 -0.00 -0.04 -0.04 7.32 7.39 1a9xH1 ARG 7593 H -0.55 -0.07 -0.53 -0.55 8.46 6.76 1a9xH1 ARG 7593 HA -0.33 0.25 0.70 -0.75 4.34 4.21 1a9xH1 ARG 7593 HB2 -0.39 -0.04 -0.09 -0.04 1.90 1.34 1a9xH1 ARG 7593 HB3 -0.27 -0.03 0.01 -0.04 1.80 1.47 1a9xH1 ARG 7593 HG2 -0.79 0.11 -0.11 -0.04 1.67 0.84 1a9xH1 ARG 7593 HG3 -2.00 -0.10 -0.10 -0.04 1.67 -0.57 1a9xH1 ARG 7593 HD2 0.09 0.03 -0.05 -0.04 3.22 3.25 1a9xH1 ARG 7593 HD3 -0.25 -0.04 -0.06 -0.04 3.22 2.82 1a9xH1 ASN 7594 H -0.13 0.22 -0.21 -0.55 8.53 7.86 1a9xH1 ASN 7594 HA -0.07 0.09 0.47 -0.75 4.76 4.49 1a9xH1 ASN 7594 HB2 -0.03 0.18 -0.02 -0.04 2.88 2.96 1a9xH1 ASN 7594 HB3 -0.02 0.22 0.11 -0.04 2.79 3.06 1a9xH1 ASN 7594 HD21 0.02 -0.06 -0.18 -0.04 7.03 6.77 1a9xH1 ASN 7594 HD22 0.01 0.08 -0.15 -0.04 7.74 7.64 1a9xH1 THR 7595 H -0.02 0.66 0.49 -0.55 8.28 8.87 1a9xH1 THR 7595 HA 0.02 0.23 0.95 -0.75 4.39 4.84 1a9xH1 THR 7595 HB 0.04 -0.02 0.14 -0.04 4.32 4.44 1a9xH1 THR 7595 HG23 0.02 0.04 -0.03 -0.04 1.22 1.21 1a9xH1 GLU 7596 H 0.02 0.03 0.14 -0.55 8.60 8.25 1a9xH1 GLU 7596 HA 0.05 0.08 0.45 -0.75 4.29 4.12 1a9xH1 GLU 7596 HB2 0.09 0.22 -0.04 -0.04 2.09 2.32 1a9xH1 GLU 7596 HB3 0.14 -0.09 -0.13 -0.04 1.99 1.86 1a9xH1 GLU 7596 HG2 0.15 0.16 -0.33 -0.04 2.34 2.28 1a9xH1 GLU 7596 HG3 0.09 -0.02 0.01 -0.04 2.34 2.37 1a9xH1 ASP 7597 H 0.05 0.20 0.13 -0.55 8.40 8.23 1a9xH1 ASP 7597 HA 0.04 0.01 0.44 -0.75 4.63 4.36 1a9xH1 ASP 7597 HB2 0.02 0.06 0.13 -0.04 2.71 2.88 1a9xH1 ASP 7597 HB3 0.03 0.09 0.16 -0.04 2.70 2.94 1a9xH1 LEU 7598 H 0.03 0.18 0.19 -0.55 8.37 8.22 1a9xH1 LEU 7598 HA 0.09 0.10 0.29 -0.75 4.35 4.08 1a9xH1 LEU 7598 HB2 -0.00 -0.04 0.10 -0.04 1.64 1.65 1a9xH1 LEU 7598 HB3 -0.04 0.08 0.10 -0.04 1.64 1.74 1a9xH1 LEU 7598 HG 0.04 0.05 -0.34 -0.04 1.64 1.35 1a9xH1 LEU 7598 HD13 0.13 -0.00 -0.08 -0.04 0.93 0.94 1a9xH1 LEU 7598 HD23 -0.21 0.00 -0.19 -0.04 0.89 0.46 1a9xH1 SER 7599 H 0.04 0.10 -0.13 -0.55 8.46 7.91 1a9xH1 SER 7599 HA 0.05 0.20 0.53 -0.75 4.49 4.51 1a9xH1 SER 7599 HB2 0.02 -0.01 0.10 -0.04 3.95 4.01 1a9xH1 SER 7599 HB3 0.03 -0.08 0.06 -0.04 3.93 3.90 1a9xH1 SER 7600 H 0.07 0.06 -0.26 -0.55 8.46 7.78 1a9xH1 SER 7600 HA 0.05 0.11 0.40 -0.75 4.49 4.29 1a9xH1 SER 7600 HB2 0.08 0.02 0.07 -0.04 3.95 4.07 1a9xH1 SER 7600 HB3 0.06 0.04 -0.01 -0.04 3.93 3.98 1a9xH1 TYR 7601 H 0.23 0.38 -0.31 -0.55 8.29 8.04 1a9xH1 TYR 7601 HA 0.13 0.04 0.27 -0.75 4.56 4.25 1a9xH1 TYR 7601 HB2 0.07 0.03 -0.12 -0.04 3.06 3.00 1a9xH1 TYR 7601 HB3 0.06 0.17 0.03 -0.04 2.98 3.20 1a9xH1 TYR 7601 HD2 0.05 0.01 -0.20 -0.04 7.15 6.97 1a9xH1 TYR 7601 HE2 -0.06 0.01 -0.16 -0.04 6.85 6.60 1a9xH1 LEU 7602 H 0.18 0.51 -0.15 -0.55 8.37 8.37 1a9xH1 LEU 7602 HA 0.09 0.02 0.32 -0.75 4.35 4.02 1a9xH1 LEU 7602 HB2 0.06 0.14 0.18 -0.04 1.64 1.98 1a9xH1 LEU 7602 HB3 0.05 0.03 0.01 -0.04 1.64 1.69 1a9xH1 LEU 7602 HG 0.14 0.32 0.06 -0.04 1.64 2.12 1a9xH1 LEU 7602 HD13 0.03 -0.02 -0.21 -0.04 0.93 0.69 1a9xH1 LEU 7602 HD23 0.13 -0.02 -0.13 -0.04 0.89 0.82 1a9xH1 LYS 7603 H 0.05 0.53 -0.17 -0.55 8.42 8.26 1a9xH1 LYS 7603 HA 0.01 -0.03 0.28 -0.75 4.32 3.82 1a9xH1 LYS 7603 HB2 0.02 0.12 0.13 -0.04 1.87 2.10 1a9xH1 LYS 7603 HB3 0.00 -0.05 -0.03 -0.04 1.79 1.67 1a9xH1 LYS 7603 HG2 0.02 -0.08 -0.24 -0.04 1.46 1.12 1a9xH1 LYS 7603 HG3 0.03 0.38 0.05 -0.04 1.46 1.87 1a9xH1 LYS 7603 HD2 0.01 -0.07 -0.06 -0.04 1.69 1.53 1a9xH1 LYS 7603 HD3 0.01 0.00 -0.09 -0.04 1.68 1.56 1a9xH1 LYS 7603 HE2 0.01 -0.03 -0.09 -0.04 2.99 2.83 1a9xH1 LYS 7603 HE3 0.02 0.11 -0.17 -0.04 2.99 2.91 1a9xH1 ARG 7604 H -0.01 0.70 -0.07 -0.55 8.46 8.54 1a9xH1 ARG 7604 HA -0.09 -0.03 0.37 -0.75 4.34 3.84 1a9xH1 ARG 7604 HB2 -0.05 -0.07 0.06 -0.04 1.90 1.80 1a9xH1 ARG 7604 HB3 -0.07 0.04 0.16 -0.04 1.80 1.88 1a9xH1 ARG 7604 HG2 -0.63 0.06 -0.29 -0.04 1.67 0.77 1a9xH1 ARG 7604 HG3 -0.25 -0.02 -0.02 -0.04 1.67 1.34 1a9xH1 ARG 7604 HD2 -0.07 -0.04 -0.07 -0.04 3.22 3.00 1a9xH1 ARG 7604 HD3 -0.13 -0.01 -0.05 -0.04 3.22 2.99 1a9xH1 HIS 7605 H -0.03 0.43 -0.42 -0.55 8.41 7.85 1a9xH1 HIS 7605 HA -0.13 0.08 0.64 -0.75 4.63 4.47 1a9xH1 HIS 7605 HB2 -0.24 0.06 0.06 -0.04 3.26 3.10 1a9xH1 HIS 7605 HB3 -0.14 -0.03 0.06 -0.04 3.20 3.05 1a9xH1 HIS 7605 HD2 -0.12 -0.04 0.08 -0.04 6.97 6.85 1a9xH1 HIS 7605 HE1 -0.32 -0.07 -0.09 -0.04 7.75 7.23 1a9xH1 ASN 7606 H -0.02 0.43 -0.27 -0.55 8.53 8.12 1a9xH1 ASN 7606 HA -0.01 -0.05 0.34 -0.75 4.76 4.29 1a9xH1 ASN 7606 HB2 -0.02 0.15 -0.30 -0.04 2.88 2.67 1a9xH1 ASN 7606 HB3 -0.01 -0.07 0.30 -0.04 2.79 2.97 1a9xH1 ASN 7606 HD21 -0.04 -0.07 -0.01 -0.04 7.03 6.87 1a9xH1 ASN 7606 HD22 -0.06 0.05 -0.16 -0.04 7.74 7.53 1a9xH1 ILE 7607 H 0.02 0.43 -0.05 -0.55 8.25 8.10 1a9xH1 ILE 7607 HA 0.01 0.28 0.80 -0.75 4.18 4.52 1a9xH1 ILE 7607 HB 0.03 -0.19 -0.06 -0.04 1.89 1.64 1a9xH1 ILE 7607 HG12 0.05 -0.01 -0.28 -0.04 1.49 1.21 1a9xH1 ILE 7607 HG13 0.03 -0.11 -0.14 -0.04 1.21 0.95 1a9xH1 ILE 7607 HG23 0.01 0.05 -0.32 -0.04 0.93 0.63 1a9xH1 ILE 7607 HD13 0.02 0.10 -0.25 -0.04 0.88 0.71 1a9xH1 VAL 7608 H 0.00 0.36 0.09 -0.55 8.24 8.14 1a9xH1 VAL 7608 HA 0.00 0.12 0.48 -0.75 4.13 3.98 1a9xH1 VAL 7608 HB -0.01 0.07 -0.01 -0.04 2.12 2.13 1a9xH1 VAL 7608 HG13 -0.01 -0.01 -0.36 -0.04 0.97 0.55 1a9xH1 VAL 7608 HG23 -0.00 0.05 -0.49 -0.04 0.95 0.46 1a9xH1 ALA 7609 H -0.00 0.17 0.21 -0.55 8.40 8.23 1a9xH1 ALA 7609 HA -0.02 0.21 0.88 -0.75 4.34 4.66 1a9xH1 ALA 7609 HB3 -0.01 0.01 -0.16 -0.04 1.41 1.22 1a9xH1 ILE 7610 H -0.04 0.81 0.32 -0.55 8.25 8.80 1a9xH1 ILE 7610 HA -0.02 0.28 1.10 -0.75 4.18 4.78 1a9xH1 ILE 7610 HB -0.02 -0.04 -0.28 -0.04 1.89 1.51 1a9xH1 ILE 7610 HG12 -0.01 0.20 -0.27 -0.04 1.49 1.36 1a9xH1 ILE 7610 HG13 -0.00 -0.03 -0.31 -0.04 1.21 0.83 1a9xH1 ILE 7610 HG23 -0.05 0.00 -0.11 -0.04 0.93 0.73 1a9xH1 ILE 7610 HD13 -0.00 -0.03 -0.44 -0.04 0.88 0.36 1a9xH1 ALA 7611 H -0.02 0.77 0.31 -0.55 8.40 8.91 1a9xH1 ALA 7611 HA -0.05 0.34 0.93 -0.75 4.34 4.80 1a9xH1 ALA 7611 HB3 -0.03 -0.03 -0.10 -0.04 1.41 1.21 1a9xH1 ASP 7612 H -0.05 0.20 -0.02 -0.55 8.40 7.98 1a9xH1 ASP 7612 HA -0.03 0.26 0.48 -0.75 4.63 4.58 1a9xH1 ASP 7612 HB2 0.00 0.06 0.22 -0.04 2.71 2.95 1a9xH1 ASP 7612 HB3 -0.00 -0.01 0.28 -0.04 2.70 2.93 1a9xH1 ILE 7613 H -0.05 0.28 0.01 -0.55 8.25 7.94 1a9xH1 ILE 7613 HA 0.03 0.33 1.03 -0.75 4.18 4.83 1a9xH1 ILE 7613 HB 0.04 -0.08 -0.11 -0.04 1.89 1.70 1a9xH1 ILE 7613 HG12 -0.12 0.06 -0.29 -0.04 1.49 1.10 1a9xH1 ILE 7613 HG13 -0.11 0.00 -0.25 -0.04 1.21 0.81 1a9xH1 ILE 7613 HG23 0.02 0.11 -0.57 -0.04 0.93 0.45 1a9xH1 ILE 7613 HD13 -0.36 -0.02 -0.50 -0.04 0.88 -0.04 1a9xH1 ASP 7614 H 0.10 0.24 0.06 -0.55 8.40 8.24 1a9xH1 ASP 7614 HA -0.03 0.11 0.66 -0.75 4.63 4.61 1a9xH1 ASP 7614 HB2 0.03 0.13 0.13 -0.04 2.71 2.96 1a9xH1 ASP 7614 HB3 0.12 0.05 0.24 -0.04 2.70 3.06 1a9xH1 THR 7615 H -0.10 0.53 0.09 -0.55 8.28 8.25 1a9xH1 THR 7615 HA -0.23 0.08 0.24 -0.75 4.39 3.73 1a9xH1 THR 7615 HB -0.14 0.05 -0.14 -0.04 4.32 4.05 1a9xH1 THR 7615 HG23 -0.14 0.05 -0.28 -0.04 1.22 0.81 1a9xH1 ARG 7616 H -0.09 0.06 -0.29 -0.55 8.46 7.59 1a9xH1 ARG 7616 HA -0.15 0.15 0.48 -0.75 4.34 4.07 1a9xH1 ARG 7616 HB2 -0.09 0.06 0.06 -0.04 1.90 1.89 1a9xH1 ARG 7616 HB3 -0.06 -0.04 0.04 -0.04 1.80 1.69 1a9xH1 ARG 7616 HG2 -0.06 0.02 -0.20 -0.04 1.67 1.39 1a9xH1 ARG 7616 HG3 -0.11 -0.03 -0.03 -0.04 1.67 1.46 1a9xH1 ARG 7616 HD2 -0.08 0.01 -0.01 -0.04 3.22 3.10 1a9xH1 ARG 7616 HD3 -0.06 0.01 -0.01 -0.04 3.22 3.11 1a9xH1 LYS 7617 H -0.02 0.06 -0.21 -0.55 8.42 7.69 1a9xH1 LYS 7617 HA -0.00 0.07 0.37 -0.75 4.32 4.00 1a9xH1 LYS 7617 HB2 0.05 -0.02 0.10 -0.04 1.87 1.96 1a9xH1 LYS 7617 HB3 0.15 0.22 0.17 -0.04 1.79 2.29 1a9xH1 LYS 7617 HG2 0.29 0.03 -0.41 -0.04 1.46 1.33 1a9xH1 LYS 7617 HG3 0.07 -0.01 -0.03 -0.04 1.46 1.45 1a9xH1 LYS 7617 HD2 0.06 -0.03 0.03 -0.04 1.69 1.71 1a9xH1 LYS 7617 HD3 0.24 0.01 -0.01 -0.04 1.68 1.88 1a9xH1 LYS 7617 HE2 -0.14 0.01 -0.06 -0.04 2.99 2.76 1a9xH1 LYS 7617 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 1a9xH1 LEU 7618 H -0.07 0.36 -0.29 -0.55 8.37 7.83 1a9xH1 LEU 7618 HA 0.04 0.04 0.27 -0.75 4.35 3.95 1a9xH1 LEU 7618 HB2 -0.88 0.01 -0.06 -0.04 1.64 0.67 1a9xH1 LEU 7618 HB3 -0.31 0.01 0.02 -0.04 1.64 1.32 1a9xH1 LEU 7618 HG -0.19 0.03 -0.34 -0.04 1.64 1.10 1a9xH1 LEU 7618 HD13 -0.24 -0.00 -0.14 -0.04 0.93 0.51 1a9xH1 LEU 7618 HD23 -0.43 -0.00 -0.20 -0.04 0.89 0.22 1a9xH1 THR 7619 H -0.21 0.58 -0.29 -0.55 8.28 7.82 1a9xH1 THR 7619 HA -0.40 -0.00 0.30 -0.75 4.39 3.53 1a9xH1 THR 7619 HB -0.35 0.05 0.17 -0.04 4.32 4.15 1a9xH1 THR 7619 HG23 -1.24 -0.02 -0.13 -0.04 1.22 -0.21 1a9xH1 ARG 7620 H -0.17 0.59 -0.18 -0.55 8.46 8.15 1a9xH1 ARG 7620 HA -0.17 0.00 0.40 -0.75 4.34 3.82 1a9xH1 ARG 7620 HB2 -0.06 0.13 0.10 -0.04 1.90 2.02 1a9xH1 ARG 7620 HB3 -0.06 -0.04 0.02 -0.04 1.80 1.68 1a9xH1 ARG 7620 HG2 -0.14 -0.06 0.01 -0.04 1.67 1.43 1a9xH1 ARG 7620 HG3 -0.11 0.26 0.04 -0.04 1.67 1.81 1a9xH1 ARG 7620 HD2 -0.07 -0.02 -0.02 -0.04 3.22 3.07 1a9xH1 ARG 7620 HD3 -0.06 -0.05 -0.06 -0.04 3.22 3.01 1a9xH1 LEU 7621 H -0.05 0.46 -0.35 -0.55 8.37 7.88 1a9xH1 LEU 7621 HA 0.01 0.02 0.51 -0.75 4.35 4.14 1a9xH1 LEU 7621 HB2 0.06 -0.00 0.07 -0.04 1.64 1.73 1a9xH1 LEU 7621 HB3 0.06 0.17 0.15 -0.04 1.64 1.98 1a9xH1 LEU 7621 HG 0.06 0.07 -0.29 -0.04 1.64 1.44 1a9xH1 LEU 7621 HD13 0.03 -0.02 0.03 -0.04 0.93 0.93 1a9xH1 LEU 7621 HD23 0.11 -0.03 -0.07 -0.04 0.89 0.87 1a9xH1 LEU 7622 H -0.02 0.53 -0.02 -0.55 8.37 8.31 1a9xH1 LEU 7622 HA 0.07 0.26 0.28 -0.75 4.35 4.22 1a9xH1 LEU 7622 HB2 0.18 0.07 0.02 -0.04 1.64 1.86 1a9xH1 LEU 7622 HB3 0.18 -0.04 -0.09 -0.04 1.64 1.66 1a9xH1 LEU 7622 HG 0.03 0.13 -0.09 -0.04 1.64 1.67 1a9xH1 LEU 7622 HD13 0.16 -0.02 -0.25 -0.04 0.93 0.78 1a9xH1 LEU 7622 HD23 0.06 -0.00 -0.06 -0.04 0.89 0.84 1a9xH1 ARG 7623 H -0.11 0.37 -0.46 -0.55 8.46 7.70 1a9xH1 ARG 7623 HA -0.52 0.02 0.44 -0.75 4.34 3.52 1a9xH1 ARG 7623 HB2 -0.33 0.03 0.05 -0.04 1.90 1.61 1a9xH1 ARG 7623 HB3 -0.13 0.08 0.11 -0.04 1.80 1.82 1a9xH1 ARG 7623 HG2 0.06 0.05 -0.29 -0.04 1.67 1.45 1a9xH1 ARG 7623 HG3 -0.24 -0.05 0.01 -0.04 1.67 1.34 1a9xH1 ARG 7623 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.12 1a9xH1 ARG 7623 HD3 -0.13 -0.05 -0.05 -0.04 3.22 2.95 1a9xH1 GLU 7624 H -0.01 0.52 -0.10 -0.55 8.60 8.47 1a9xH1 GLU 7624 HA 0.07 0.04 0.62 -0.75 4.29 4.26 1a9xH1 GLU 7624 HB2 0.01 0.10 0.26 -0.04 2.09 2.41 1a9xH1 GLU 7624 HB3 0.02 -0.05 -0.02 -0.04 1.99 1.90 1a9xH1 GLU 7624 HG2 -0.01 0.07 0.10 -0.04 2.34 2.46 1a9xH1 GLU 7624 HG3 0.00 -0.08 0.03 -0.04 2.34 2.25 1a9xH1 LYS 7625 H 0.05 0.58 0.04 -0.55 8.42 8.55 1a9xH1 LYS 7625 HA 0.06 0.09 0.79 -0.75 4.32 4.51 1a9xH1 LYS 7625 HB2 0.04 0.11 0.11 -0.04 1.87 2.09 1a9xH1 LYS 7625 HB3 0.04 -0.01 0.07 -0.04 1.79 1.86 1a9xH1 LYS 7625 HG2 0.03 -0.03 0.04 -0.04 1.46 1.45 1a9xH1 LYS 7625 HG3 0.03 0.02 -0.11 -0.04 1.46 1.36 1a9xH1 LYS 7625 HD2 0.02 -0.04 -0.03 -0.04 1.69 1.61 1a9xH1 LYS 7625 HD3 0.03 0.01 0.02 -0.04 1.68 1.69 1a9xH1 LYS 7625 HE2 0.02 0.01 -0.00 -0.04 2.99 2.98 1a9xH1 LYS 7625 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 1a9xH1 GLY 7626 H 0.13 0.13 -0.35 -0.55 8.43 7.79 1a9xH1 GLY 7626 HA2 0.25 0.00 0.30 -0.51 4.01 4.05 1a9xH1 GLY 7626 HA3 0.11 0.12 0.72 -0.51 4.01 4.45 1a9xH1 ALA 7627 H 0.12 0.56 0.44 -0.55 8.40 8.98 1a9xH1 ALA 7627 HA 0.08 0.02 0.54 -0.75 4.34 4.23 1a9xH1 ALA 7627 HB3 0.05 -0.02 0.19 -0.04 1.41 1.58 1a9xH1 GLN 7628 H 0.04 0.30 0.35 -0.55 8.47 8.62 1a9xH1 GLN 7628 HA 0.05 0.15 0.81 -0.75 4.36 4.62 1a9xH1 GLN 7628 HB2 0.04 -0.07 0.06 -0.04 2.15 2.14 1a9xH1 GLN 7628 HB3 0.04 -0.04 0.14 -0.04 2.02 2.12 1a9xH1 GLN 7628 HG2 0.05 0.15 -0.01 -0.04 2.40 2.55 1a9xH1 GLN 7628 HG3 0.06 0.22 -0.22 -0.04 2.39 2.41 1a9xH1 GLN 7628 HE21 0.05 -0.10 -0.05 -0.04 6.97 6.82 1a9xH1 GLN 7628 HE22 0.05 0.19 -0.12 -0.04 7.69 7.77 1a9xH1 ASN 7629 H 0.07 0.15 0.24 -0.55 8.53 8.45 1a9xH1 ASN 7629 HA -0.05 0.07 0.94 -0.75 4.76 4.97 1a9xH1 ASN 7629 HB2 0.13 0.20 0.12 -0.04 2.88 3.28 1a9xH1 ASN 7629 HB3 -0.12 -0.00 0.03 -0.04 2.79 2.66 1a9xH1 ASN 7629 HD21 0.21 -0.00 -0.04 -0.04 7.03 7.15 1a9xH1 ASN 7629 HD22 0.26 0.22 0.01 -0.04 7.74 8.18 1a9xH1 GLY 7630 H -0.17 0.79 0.57 -0.55 8.43 9.07 1a9xH1 GLY 7630 HA2 -0.01 0.06 0.75 -0.51 4.01 4.30 1a9xH1 GLY 7630 HA3 -0.03 -0.02 0.36 -0.51 4.01 3.81 1a9xH1 CYS 7631 H -0.01 0.69 0.38 -0.55 8.50 9.00 1a9xH1 CYS 7631 HA -0.05 0.37 1.14 -0.75 4.58 5.29 1a9xH1 CYS 7631 HB2 -0.01 0.01 -0.14 -0.04 2.97 2.78 1a9xH1 CYS 7631 HB3 -0.00 0.06 0.09 -0.04 2.97 3.08 1a9xH1 ILE 7632 H -0.03 0.62 0.36 -0.55 8.25 8.65 1a9xH1 ILE 7632 HA -0.02 0.31 1.21 -0.75 4.18 4.93 1a9xH1 ILE 7632 HB -0.02 -0.05 0.03 -0.04 1.89 1.81 1a9xH1 ILE 7632 HG12 -0.04 -0.01 -0.20 -0.04 1.49 1.21 1a9xH1 ILE 7632 HG13 -0.04 -0.04 -0.25 -0.04 1.21 0.83 1a9xH1 ILE 7632 HG23 -0.02 -0.01 -0.41 -0.04 0.93 0.45 1a9xH1 ILE 7632 HD13 -0.04 -0.00 -0.25 -0.04 0.88 0.54 1a9xH1 ILE 7633 H -0.01 0.73 0.36 -0.55 8.25 8.78 1a9xH1 ILE 7633 HA 0.00 0.22 1.03 -0.75 4.18 4.68 1a9xH1 ILE 7633 HB 0.01 -0.04 0.04 -0.04 1.89 1.85 1a9xH1 ILE 7633 HG12 0.01 0.03 -0.05 -0.04 1.49 1.43 1a9xH1 ILE 7633 HG13 0.00 0.04 -0.38 -0.04 1.21 0.83 1a9xH1 ILE 7633 HG23 0.01 -0.05 -0.18 -0.04 0.93 0.67 1a9xH1 ILE 7633 HD13 0.01 -0.03 -0.11 -0.04 0.88 0.71 1a9xH1 ALA 7634 H 0.00 1.17 0.40 -0.55 8.40 9.43 1a9xH1 ALA 7634 HA 0.01 0.15 1.13 -0.75 4.34 4.88 1a9xH1 ALA 7634 HB3 0.00 0.01 0.07 -0.04 1.41 1.45 1a9xH1 GLY 7635 H 0.01 0.47 0.12 -0.55 8.43 8.49 1a9xH1 GLY 7635 HA2 0.01 0.09 0.41 -0.51 4.01 4.02 1a9xH1 GLY 7635 HA3 0.01 -0.02 0.41 -0.51 4.01 3.90 1a9xH1 ASP 7636 H 0.01 0.13 0.13 -0.55 8.40 8.12 1a9xH1 ASP 7636 HA 0.01 0.13 0.49 -0.75 4.63 4.50 1a9xH1 ASP 7636 HB2 0.01 -0.04 0.14 -0.04 2.71 2.77 1a9xH1 ASP 7636 HB3 0.01 0.05 0.03 -0.04 2.70 2.74 1a9xH1 ASN 7637 H 0.01 -0.02 -0.33 -0.55 8.53 7.64 1a9xH1 ASN 7637 HA 0.02 0.21 0.57 -0.75 4.76 4.79 1a9xH1 ASN 7637 HB2 0.01 -0.09 -0.05 -0.04 2.88 2.71 1a9xH1 ASN 7637 HB3 0.01 -0.01 0.13 -0.04 2.79 2.87 1a9xH1 ASN 7637 HD21 0.00 -0.01 0.04 -0.04 7.03 7.02 1a9xH1 ASN 7637 HD22 0.00 -0.02 0.03 -0.04 7.74 7.71 1a9xH1 PRO 7638 HA 0.02 -0.09 0.20 -0.51 4.44 4.06 1a9xH1 PRO 7638 HB2 0.04 0.01 -0.16 -0.04 2.28 2.13 1a9xH1 PRO 7638 HB3 0.02 0.03 -0.12 -0.04 2.02 1.91 1a9xH1 PRO 7638 HG2 0.05 0.02 -0.23 -0.04 2.03 1.83 1a9xH1 PRO 7638 HG3 0.02 -0.00 -0.25 -0.04 2.03 1.76 1a9xH1 PRO 7638 HD2 0.03 0.14 -0.06 -0.04 3.68 3.76 1a9xH1 PRO 7638 HD3 0.02 0.41 -0.29 -0.04 3.65 3.75 1a9xH1 ASP 7639 H 0.02 0.12 0.04 -0.55 8.40 8.03 1a9xH1 ASP 7639 HA 0.02 0.21 0.85 -0.75 4.63 4.96 1a9xH1 ASP 7639 HB2 0.01 0.14 0.06 -0.04 2.71 2.88 1a9xH1 ASP 7639 HB3 0.01 -0.02 0.14 -0.04 2.70 2.80 1a9xH1 ALA 7640 H 0.03 0.33 0.14 -0.55 8.40 8.36 1a9xH1 ALA 7640 HA 0.01 0.10 0.27 -0.75 4.34 3.97 1a9xH1 ALA 7640 HB3 0.04 0.04 0.06 -0.04 1.41 1.50 1a9xH1 ALA 7641 H 0.01 0.14 -0.05 -0.55 8.40 7.96 1a9xH1 ALA 7641 HA 0.01 0.13 0.35 -0.75 4.34 4.08 1a9xH1 ALA 7641 HB3 0.01 0.03 0.02 -0.04 1.41 1.43 1a9xH1 LEU 7642 H 0.01 0.07 -0.39 -0.55 8.37 7.52 1a9xH1 LEU 7642 HA 0.01 0.11 0.46 -0.75 4.35 4.18 1a9xH1 LEU 7642 HB2 0.01 -0.01 0.03 -0.04 1.64 1.63 1a9xH1 LEU 7642 HB3 0.01 0.08 0.06 -0.04 1.64 1.75 1a9xH1 LEU 7642 HG 0.01 0.03 -0.23 -0.04 1.64 1.41 1a9xH1 LEU 7642 HD13 0.02 -0.00 0.02 -0.04 0.93 0.92 1a9xH1 LEU 7642 HD23 0.01 0.00 -0.04 -0.04 0.89 0.82 1a9xH1 ALA 7643 H 0.01 0.52 -0.17 -0.55 8.40 8.21 1a9xH1 ALA 7643 HA 0.01 0.01 0.27 -0.75 4.34 3.87 1a9xH1 ALA 7643 HB3 0.00 0.07 -0.01 -0.04 1.41 1.43 1a9xH1 LEU 7644 H 0.01 0.66 -0.15 -0.55 8.37 8.34 1a9xH1 LEU 7644 HA 0.01 0.03 0.28 -0.75 4.35 3.92 1a9xH1 LEU 7644 HB2 0.00 -0.01 -0.01 -0.04 1.64 1.58 1a9xH1 LEU 7644 HB3 0.01 0.03 0.07 -0.04 1.64 1.71 1a9xH1 LEU 7644 HG 0.01 0.01 -0.20 -0.04 1.64 1.42 1a9xH1 LEU 7644 HD13 0.01 0.03 -0.02 -0.04 0.93 0.91 1a9xH1 LEU 7644 HD23 0.00 -0.00 -0.04 -0.04 0.89 0.81 1a9xH1 GLU 7645 H 0.02 0.47 -0.21 -0.55 8.60 8.33 1a9xH1 GLU 7645 HA 0.02 0.03 0.40 -0.75 4.29 3.99 1a9xH1 GLU 7645 HB2 0.02 -0.03 0.08 -0.04 2.09 2.11 1a9xH1 GLU 7645 HB3 0.02 0.06 0.22 -0.04 1.99 2.24 1a9xH1 GLU 7645 HG2 0.02 0.06 -0.44 -0.04 2.34 1.94 1a9xH1 GLU 7645 HG3 0.02 -0.02 -0.04 -0.04 2.34 2.26 1a9xH1 LYS 7646 H 0.02 0.86 -0.12 -0.55 8.42 8.62 1a9xH1 LYS 7646 HA 0.04 0.01 0.30 -0.75 4.32 3.92 1a9xH1 LYS 7646 HB2 0.02 0.09 -0.02 -0.04 1.87 1.92 1a9xH1 LYS 7646 HB3 0.04 -0.05 -0.07 -0.04 1.79 1.66 1a9xH1 LYS 7646 HG2 0.02 -0.06 -0.03 -0.04 1.46 1.35 1a9xH1 LYS 7646 HG3 0.02 0.14 -0.15 -0.04 1.46 1.42 1a9xH1 LYS 7646 HD2 0.01 -0.07 -0.14 -0.04 1.69 1.45 1a9xH1 LYS 7646 HD3 0.02 0.02 -0.12 -0.04 1.68 1.56 1a9xH1 LYS 7646 HE2 0.02 0.03 -0.07 -0.04 2.99 2.93 1a9xH1 LYS 7646 HE3 0.02 0.00 -0.07 -0.04 2.99 2.91 1a9xH1 ALA 7647 H 0.03 0.47 -0.41 -0.55 8.40 7.94 1a9xH1 ALA 7647 HA 0.03 0.00 0.28 -0.75 4.34 3.89 1a9xH1 ALA 7647 HB3 0.02 0.01 -0.08 -0.04 1.41 1.31 1a9xH1 ARG 7648 H 0.04 0.57 -0.10 -0.55 8.46 8.42 1a9xH1 ARG 7648 HA 0.07 0.03 0.51 -0.75 4.34 4.19 1a9xH1 ARG 7648 HB2 0.03 0.04 0.09 -0.04 1.90 2.02 1a9xH1 ARG 7648 HB3 0.03 -0.04 0.06 -0.04 1.80 1.82 1a9xH1 ARG 7648 HG2 0.03 -0.08 0.06 -0.04 1.67 1.64 1a9xH1 ARG 7648 HG3 0.03 0.24 0.04 -0.04 1.67 1.93 1a9xH1 ARG 7648 HD2 0.02 -0.07 -0.04 -0.04 3.22 3.08 1a9xH1 ARG 7648 HD3 0.02 -0.04 0.01 -0.04 3.22 3.18 1a9xH1 ALA 7649 H 0.07 0.33 -0.40 -0.55 8.40 7.85 1a9xH1 ALA 7649 HA 0.04 0.01 0.38 -0.75 4.34 4.02 1a9xH1 ALA 7649 HB3 0.06 0.02 0.07 -0.04 1.41 1.51 1a9xH1 PHE 7650 H 0.21 0.22 -0.53 -0.55 8.34 7.69 1a9xH1 PHE 7650 HA 0.02 0.01 0.38 -0.75 4.62 4.28 1a9xH1 PHE 7650 HB2 0.02 0.05 0.07 -0.04 3.15 3.25 1a9xH1 PHE 7650 HB3 0.02 0.03 0.04 -0.04 3.06 3.11 1a9xH1 PHE 7650 HD2 0.03 0.04 -0.07 -0.04 7.28 7.23 1a9xH1 PHE 7650 HE2 0.04 -0.04 0.04 -0.04 7.38 7.38 1a9xH1 PHE 7650 HZ 0.05 0.06 0.09 -0.04 7.32 7.48 1a9xH1 PRO 7651 HA -0.17 0.11 0.46 -0.51 4.44 4.33 1a9xH1 PRO 7651 HB2 -0.33 0.07 0.03 -0.04 2.28 2.01 1a9xH1 PRO 7651 HB3 -0.18 0.01 0.12 -0.04 2.02 1.93 1a9xH1 PRO 7651 HG2 -0.45 -0.02 0.08 -0.04 2.03 1.60 1a9xH1 PRO 7651 HG3 -0.17 0.03 0.09 -0.04 2.03 1.95 1a9xH1 PRO 7651 HD2 -0.98 0.01 0.18 -0.04 3.68 2.86 1a9xH1 PRO 7651 HD3 -0.09 0.24 0.22 -0.04 3.65 3.97 1a9xH1 GLY 7652 H -1.45 0.00 -0.16 -0.55 8.43 6.28 1a9xH1 GLY 7652 HA2 0.10 -0.11 0.34 -0.51 4.01 3.83 1a9xH1 GLY 7652 HA3 -0.04 0.30 0.96 -0.51 4.01 4.71 1a9xH1 LEU 7653 H 0.21 0.12 0.14 -0.55 8.37 8.29 1a9xH1 LEU 7653 HA 0.10 0.10 0.37 -0.75 4.35 4.16 1a9xH1 LEU 7653 HB2 0.19 -0.01 0.13 -0.04 1.64 1.92 1a9xH1 LEU 7653 HB3 0.32 -0.06 -0.04 -0.04 1.64 1.82 1a9xH1 LEU 7653 HG 0.20 -0.02 0.10 -0.04 1.64 1.87 1a9xH1 LEU 7653 HD13 0.37 0.03 0.04 -0.04 0.93 1.34 1a9xH1 LEU 7653 HD23 0.18 0.02 0.03 -0.04 0.89 1.08 1a9xH1 ASN 7654 H 0.12 0.05 -0.25 -0.55 8.53 7.91 1a9xH1 ASN 7654 HA 0.34 -0.06 0.42 -0.75 4.76 4.71 1a9xH1 ASN 7654 HB2 0.08 -0.01 0.08 -0.04 2.88 2.99 1a9xH1 ASN 7654 HB3 0.06 0.11 -0.01 -0.04 2.79 2.90 1a9xH1 ASN 7654 HD21 0.05 -0.02 0.03 -0.04 7.03 7.05 1a9xH1 ASN 7654 HD22 0.04 0.06 0.01 -0.04 7.74 7.80 1a9xH1 GLY 7655 H 0.04 0.04 0.16 -0.55 8.43 8.12 1a9xH1 GLY 7655 HA2 -0.04 -0.06 0.31 -0.51 4.01 3.71 1a9xH1 GLY 7655 HA3 -0.01 0.12 0.37 -0.51 4.01 3.98 1a9xH1 MET 7656 H 0.01 0.52 -0.79 -0.55 8.47 7.67 1a9xH1 MET 7656 HA -0.03 0.11 0.74 -0.75 4.52 4.59 1a9xH1 MET 7656 HB2 -0.04 0.21 -0.04 -0.04 2.15 2.24 1a9xH1 MET 7656 HB3 0.04 0.00 0.23 -0.04 2.03 2.26 1a9xH1 MET 7656 HG2 0.03 -0.14 -0.36 -0.04 2.63 2.12 1a9xH1 MET 7656 HG3 -0.00 0.03 -0.15 -0.04 2.56 2.40 1a9xH1 MET 7656 HE3 -0.22 -0.04 -0.27 -0.04 2.10 1.53 1a9xH1 ASP 7657 H -0.02 0.25 0.11 -0.55 8.40 8.19 1a9xH1 ASP 7657 HA -0.07 0.24 0.54 -0.75 4.63 4.59 1a9xH1 ASP 7657 HB2 -0.05 0.02 -0.09 -0.04 2.71 2.55 1a9xH1 ASP 7657 HB3 0.01 0.05 0.14 -0.04 2.70 2.86 1a9xH1 LEU 7658 H -0.01 0.29 0.02 -0.55 8.37 8.13 1a9xH1 LEU 7658 HA 0.05 0.20 0.71 -0.75 4.35 4.56 1a9xH1 LEU 7658 HB2 0.05 -0.01 -0.37 -0.04 1.64 1.27 1a9xH1 LEU 7658 HB3 0.08 0.03 -0.05 -0.04 1.64 1.66 1a9xH1 LEU 7658 HG 0.05 0.01 -0.39 -0.04 1.64 1.27 1a9xH1 LEU 7658 HD13 0.12 -0.01 -0.05 -0.04 0.93 0.94 1a9xH1 LEU 7658 HD23 0.08 0.03 -0.09 -0.04 0.89 0.86 1a9xH1 ALA 7659 H 0.02 0.13 -0.07 -0.55 8.40 7.93 1a9xH1 ALA 7659 HA 0.11 0.30 0.40 -0.75 4.34 4.40 1a9xH1 ALA 7659 HB3 0.12 -0.00 0.05 -0.04 1.41 1.54 1a9xH1 LYS 7660 H 0.14 0.11 -0.26 -0.55 8.42 7.85 1a9xH1 LYS 7660 HA 0.06 0.00 0.34 -0.75 4.32 3.97 1a9xH1 LYS 7660 HB2 -0.01 0.05 0.05 -0.04 1.87 1.91 1a9xH1 LYS 7660 HB3 -0.00 -0.07 0.03 -0.04 1.79 1.71 1a9xH1 LYS 7660 HG2 0.13 -0.08 -0.08 -0.04 1.46 1.39 1a9xH1 LYS 7660 HG3 0.06 0.11 -0.19 -0.04 1.46 1.41 1a9xH1 LYS 7660 HD2 0.03 0.02 -0.06 -0.04 1.69 1.63 1a9xH1 LYS 7660 HD3 0.08 -0.06 -0.02 -0.04 1.68 1.64 1a9xH1 LYS 7660 HE2 0.06 0.01 0.01 -0.04 2.99 3.03 1a9xH1 LYS 7660 HE3 0.04 0.05 -0.02 -0.04 2.99 3.01 1a9xH1 GLU 7661 H 0.08 0.25 -0.88 -0.55 8.60 7.50 1a9xH1 GLU 7661 HA 0.05 0.14 0.73 -0.75 4.29 4.46 1a9xH1 GLU 7661 HB2 0.08 0.11 0.05 -0.04 2.09 2.29 1a9xH1 GLU 7661 HB3 0.07 -0.03 0.08 -0.04 1.99 2.06 1a9xH1 GLU 7661 HG2 0.06 -0.05 -0.05 -0.04 2.34 2.26 1a9xH1 GLU 7661 HG3 0.06 -0.01 0.01 -0.04 2.34 2.36 1a9xH1 VAL 7662 H 0.10 0.40 0.01 -0.55 8.24 8.20 1a9xH1 VAL 7662 HA 0.13 0.19 0.84 -0.75 4.13 4.54 1a9xH1 VAL 7662 HB 0.11 -0.08 0.11 -0.04 2.12 2.22 1a9xH1 VAL 7662 HG13 0.14 0.05 -0.06 -0.04 0.97 1.06 1a9xH1 VAL 7662 HG23 0.08 -0.03 -0.08 -0.04 0.95 0.87 1a9xH1 THR 7663 H 0.09 0.23 -0.17 -0.55 8.28 7.88 1a9xH1 THR 7663 HA 0.08 -0.03 0.44 -0.75 4.39 4.13 1a9xH1 THR 7663 HB 0.11 0.10 0.14 -0.04 4.32 4.63 1a9xH1 THR 7663 HG23 0.04 0.05 -0.14 -0.04 1.22 1.12 1a9xH1 THR 7664 H 0.10 0.03 0.13 -0.55 8.28 7.99 1a9xH1 THR 7664 HA 0.09 0.08 0.49 -0.75 4.39 4.29 1a9xH1 THR 7664 HB 0.29 -0.02 0.06 -0.04 4.32 4.60 1a9xH1 THR 7664 HG23 0.17 -0.02 -0.33 -0.04 1.22 1.01 1a9xH1 ALA 7665 H 0.05 0.11 0.15 -0.55 8.40 8.16 1a9xH1 ALA 7665 HA 0.03 0.10 0.43 -0.75 4.34 4.14 1a9xH1 ALA 7665 HB3 0.02 -0.01 0.11 -0.04 1.41 1.50 1a9xH1 GLU 7666 H 0.06 0.08 0.02 -0.55 8.60 8.21 1a9xH1 GLU 7666 HA 0.05 0.17 0.94 -0.75 4.29 4.69 1a9xH1 GLU 7666 HB2 0.06 0.12 -0.01 -0.04 2.09 2.22 1a9xH1 GLU 7666 HB3 0.04 0.01 0.06 -0.04 1.99 2.07 1a9xH1 GLU 7666 HG2 0.03 0.04 -0.15 -0.04 2.34 2.21 1a9xH1 GLU 7666 HG3 0.04 -0.18 0.08 -0.04 2.34 2.24 1a9xH1 ALA 7667 H 0.05 0.07 0.17 -0.55 8.40 8.14 1a9xH1 ALA 7667 HA 0.06 0.16 0.62 -0.75 4.34 4.43 1a9xH1 ALA 7667 HB3 -0.01 -0.02 0.15 -0.04 1.41 1.49 1a9xH1 TYR 7668 H -0.16 0.50 0.43 -0.55 8.29 8.51 1a9xH1 TYR 7668 HA 0.04 0.15 0.81 -0.75 4.56 4.81 1a9xH1 TYR 7668 HB2 0.07 -0.02 0.17 -0.04 3.06 3.24 1a9xH1 TYR 7668 HB3 0.05 0.08 -0.11 -0.04 2.98 2.96 1a9xH1 TYR 7668 HD2 0.12 0.23 -0.10 -0.04 7.15 7.36 1a9xH1 TYR 7668 HE2 0.30 -0.04 -0.06 -0.04 6.85 7.01 1a9xH1 SER 7669 H 0.21 0.13 0.23 -0.55 8.46 8.48 1a9xH1 SER 7669 HA 0.10 0.47 1.09 -0.75 4.49 5.40 1a9xH1 SER 7669 HB2 0.07 -0.01 0.08 -0.04 3.95 4.04 1a9xH1 SER 7669 HB3 0.08 -0.06 0.13 -0.04 3.93 4.04 1a9xH1 TRP 7670 H 0.23 0.58 0.33 -0.55 7.97 8.58 1a9xH1 TRP 7670 HA 0.09 0.09 0.88 -0.75 4.62 4.93 1a9xH1 TRP 7670 HB2 0.06 0.01 -0.13 -0.04 3.23 3.13 1a9xH1 TRP 7670 HB3 0.00 0.01 0.12 -0.04 3.23 3.32 1a9xH1 TRP 7670 HD1 0.02 0.09 -0.44 -0.04 7.22 6.85 1a9xH1 TRP 7670 HE1 0.02 0.54 -0.04 -0.04 10.20 10.69 1a9xH1 TRP 7670 HE3 0.33 0.02 -0.04 -0.04 7.59 7.86 1a9xH1 TRP 7670 HZ2 0.05 0.05 -0.06 -0.04 7.44 7.44 1a9xH1 TRP 7670 HZ3 0.14 -0.01 -0.01 -0.04 7.13 7.21 1a9xH1 TRP 7670 HH2 0.07 -0.01 -0.02 -0.04 7.19 7.19 1a9xH1 THR 7671 H -0.27 0.13 0.12 -0.55 8.28 7.71 1a9xH1 THR 7671 HA 0.17 0.34 0.94 -0.75 4.39 5.09 1a9xH1 THR 7671 HB 0.02 0.01 0.08 -0.04 4.32 4.39 1a9xH1 THR 7671 HG23 0.05 -0.03 -0.19 -0.04 1.22 1.00 1a9xH1 GLN 7672 H -0.37 0.08 -0.00 -0.55 8.47 7.63 1a9xH1 GLN 7672 HA -0.03 0.15 0.99 -0.75 4.36 4.73 1a9xH1 GLN 7672 HB2 -0.38 -0.11 0.02 -0.04 2.15 1.64 1a9xH1 GLN 7672 HB3 -0.47 -0.04 0.05 -0.04 2.02 1.51 1a9xH1 GLN 7672 HG2 0.12 0.32 -0.25 -0.04 2.40 2.54 1a9xH1 GLN 7672 HG3 -0.03 0.15 -0.17 -0.04 2.39 2.30 1a9xH1 GLN 7672 HE21 -0.03 -0.16 -0.09 -0.04 6.97 6.66 1a9xH1 GLN 7672 HE22 -0.04 0.83 0.03 -0.04 7.69 8.47 1a9xH1 GLY 7673 H 0.06 0.17 0.05 -0.55 8.43 8.16 1a9xH1 GLY 7673 HA2 0.12 0.21 0.55 -0.51 4.01 4.38 1a9xH1 GLY 7673 HA3 0.06 0.05 0.28 -0.51 4.01 3.90 1a9xH1 SER 7674 H 0.06 0.13 0.10 -0.55 8.46 8.19 1a9xH1 SER 7674 HA 0.14 0.05 0.51 -0.75 4.49 4.44 1a9xH1 SER 7674 HB2 0.03 0.01 0.07 -0.04 3.95 4.02 1a9xH1 SER 7674 HB3 0.10 0.13 -0.05 -0.04 3.93 4.07 1a9xH1 TRP 7675 H 0.33 0.05 0.10 -0.55 7.97 7.91 1a9xH1 TRP 7675 HA 0.03 0.26 0.18 -0.75 4.62 4.33 1a9xH1 TRP 7675 HB2 0.03 0.05 -0.00 -0.04 3.23 3.26 1a9xH1 TRP 7675 HB3 0.03 -0.04 -0.01 -0.04 3.23 3.17 1a9xH1 TRP 7675 HD1 0.02 -0.05 -0.08 -0.04 7.22 7.07 1a9xH1 TRP 7675 HE1 0.02 0.01 -0.04 -0.04 10.20 10.16 1a9xH1 TRP 7675 HE3 0.04 0.04 -0.35 -0.04 7.59 7.29 1a9xH1 TRP 7675 HZ2 0.07 0.04 -0.06 -0.04 7.44 7.45 1a9xH1 TRP 7675 HZ3 0.06 0.00 -0.11 -0.04 7.13 7.05 1a9xH1 TRP 7675 HH2 0.08 -0.01 -0.06 -0.04 7.19 7.16 1a9xH1 THR 7676 H -0.87 0.48 0.18 -0.55 8.28 7.52 1a9xH1 THR 7676 HA -0.49 0.21 0.81 -0.75 4.39 4.17 1a9xH1 THR 7676 HB -0.28 -0.06 0.11 -0.04 4.32 4.05 1a9xH1 THR 7676 HG23 -0.12 0.09 -0.19 -0.04 1.22 0.96 1a9xH1 LEU 7677 H -0.71 0.22 0.12 -0.55 8.37 7.45 1a9xH1 LEU 7677 HA -0.85 0.08 0.40 -0.75 4.35 3.22 1a9xH1 LEU 7677 HB2 -0.01 0.01 0.12 -0.04 1.64 1.73 1a9xH1 LEU 7677 HB3 -0.15 -0.04 0.12 -0.04 1.64 1.53 1a9xH1 LEU 7677 HG 0.02 0.07 -0.26 -0.04 1.64 1.42 1a9xH1 LEU 7677 HD13 0.45 -0.00 0.02 -0.04 0.93 1.36 1a9xH1 LEU 7677 HD23 0.08 0.00 -0.02 -0.04 0.89 0.91 1a9xH1 THR 7678 H -0.30 0.01 -0.16 -0.55 8.28 7.27 1a9xH1 THR 7678 HA -0.10 0.11 0.40 -0.75 4.39 4.04 1a9xH1 THR 7678 HB -0.16 -0.04 0.01 -0.04 4.32 4.09 1a9xH1 THR 7678 HG23 -0.08 0.03 -0.15 -0.04 1.22 0.98 1a9xH1 GLY 7679 H -0.34 -0.07 -0.25 -0.55 8.43 7.23 1a9xH1 GLY 7679 HA2 -0.10 0.25 0.99 -0.51 4.01 4.63 1a9xH1 GLY 7679 HA3 -0.14 0.01 0.23 -0.51 4.01 3.60 1a9xH1 GLY 7680 H -0.58 0.62 0.06 -0.55 8.43 7.98 1a9xH1 GLY 7680 HA2 -0.38 -0.03 0.33 -0.51 4.01 3.42 1a9xH1 GLY 7680 HA3 0.01 0.11 0.56 -0.51 4.01 4.18 1a9xH1 LEU 7681 H 0.22 0.05 0.11 -0.55 8.37 8.20 1a9xH1 LEU 7681 HA 0.16 0.09 0.36 -0.75 4.35 4.21 1a9xH1 LEU 7681 HB2 0.13 -0.07 0.11 -0.04 1.64 1.77 1a9xH1 LEU 7681 HB3 0.10 0.15 -0.06 -0.04 1.64 1.79 1a9xH1 LEU 7681 HG 0.40 -0.17 0.03 -0.04 1.64 1.85 1a9xH1 LEU 7681 HD13 0.13 0.01 0.01 -0.04 0.93 1.04 1a9xH1 LEU 7681 HD23 0.22 0.03 -0.04 -0.04 0.89 1.06 1a9xH1 PRO 7682 HA -0.01 0.08 0.49 -0.51 4.44 4.49 1a9xH1 PRO 7682 HB2 -0.01 0.12 -0.03 -0.04 2.28 2.32 1a9xH1 PRO 7682 HB3 -0.02 0.01 0.01 -0.04 2.02 1.99 1a9xH1 PRO 7682 HG2 0.03 -0.11 -0.14 -0.04 2.03 1.77 1a9xH1 PRO 7682 HG3 0.03 0.02 -0.16 -0.04 2.03 1.88 1a9xH1 PRO 7682 HD2 0.09 0.11 -0.11 -0.04 3.68 3.73 1a9xH1 PRO 7682 HD3 0.05 0.34 -0.09 -0.04 3.65 3.91 1a9xH1 GLN 7683 H -0.02 0.08 0.12 -0.55 8.47 8.09 1a9xH1 GLN 7683 HA -0.04 0.04 0.44 -0.75 4.36 4.04 1a9xH1 GLN 7683 HB2 -0.03 -0.03 0.10 -0.04 2.15 2.16 1a9xH1 GLN 7683 HB3 -0.04 0.11 0.00 -0.04 2.02 2.05 1a9xH1 GLN 7683 HG2 -0.03 -0.01 0.05 -0.04 2.40 2.36 1a9xH1 GLN 7683 HG3 -0.02 0.01 0.03 -0.04 2.39 2.37 1a9xH1 GLN 7683 HE21 -0.03 -0.02 0.00 -0.04 6.97 6.89 1a9xH1 GLN 7683 HE22 -0.04 -0.01 0.02 -0.04 7.69 7.62 1a9xH1 ALA 7684 H -0.10 0.04 0.12 -0.55 8.40 7.91 1a9xH1 ALA 7684 HA -0.11 0.03 0.30 -0.75 4.34 3.81 1a9xH1 ALA 7684 HB3 -0.19 -0.02 0.02 -0.04 1.41 1.18 1a9xH1 LYS 7685 H -0.04 0.86 0.19 -0.55 8.42 8.87 1a9xH1 LYS 7685 HA -0.03 0.07 0.53 -0.75 4.32 4.14 1a9xH1 LYS 7685 HB2 -0.00 0.01 -0.02 -0.04 1.87 1.82 1a9xH1 LYS 7685 HB3 -0.02 -0.03 -0.03 -0.04 1.79 1.68 1a9xH1 LYS 7685 HG2 -0.01 -0.06 0.02 -0.04 1.46 1.37 1a9xH1 LYS 7685 HG3 0.01 0.14 0.14 -0.04 1.46 1.70 1a9xH1 LYS 7685 HD2 0.01 0.05 -0.10 -0.04 1.69 1.61 1a9xH1 LYS 7685 HD3 -0.01 0.05 -0.07 -0.04 1.68 1.61 1a9xH1 LYS 7685 HE2 0.01 -0.09 -0.06 -0.04 2.99 2.81 1a9xH1 LYS 7685 HE3 -0.01 0.07 -0.03 -0.04 2.99 2.99 1a9xH1 LYS 7686 H -0.03 0.13 0.11 -0.55 8.42 8.08 1a9xH1 LYS 7686 HA -0.03 0.08 0.52 -0.75 4.32 4.14 1a9xH1 LYS 7686 HB2 -0.03 0.03 0.13 -0.04 1.87 1.96 1a9xH1 LYS 7686 HB3 -0.02 -0.06 0.02 -0.04 1.79 1.69 1a9xH1 LYS 7686 HG2 -0.02 -0.01 0.01 -0.04 1.46 1.39 1a9xH1 LYS 7686 HG3 -0.03 0.06 -0.08 -0.04 1.46 1.38 1a9xH1 LYS 7686 HD2 -0.02 0.01 0.02 -0.04 1.69 1.65 1a9xH1 LYS 7686 HD3 -0.02 -0.01 -0.00 -0.04 1.68 1.61 1a9xH1 LYS 7686 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.90 1a9xH1 LYS 7686 HE3 -0.03 0.04 -0.03 -0.04 2.99 2.93 1a9xH1 GLU 7687 H -0.02 0.15 0.16 -0.55 8.60 8.34 1a9xH1 GLU 7687 HA -0.02 0.12 0.32 -0.75 4.29 3.96 1a9xH1 GLU 7687 HB2 -0.02 -0.05 0.14 -0.04 2.09 2.12 1a9xH1 GLU 7687 HB3 -0.03 0.04 -0.04 -0.04 1.99 1.91 1a9xH1 GLU 7687 HG2 -0.05 0.08 -0.01 -0.04 2.34 2.31 1a9xH1 GLU 7687 HG3 -0.01 0.02 0.06 -0.04 2.34 2.37 1a9xH1 ASP 7688 H -0.03 -0.00 -0.35 -0.55 8.40 7.48 1a9xH1 ASP 7688 HA -0.04 0.17 0.40 -0.75 4.63 4.41 1a9xH1 ASP 7688 HB2 -0.03 0.04 0.05 -0.04 2.71 2.73 1a9xH1 ASP 7688 HB3 -0.03 -0.02 0.03 -0.04 2.70 2.64 1a9xH1 GLU 7689 H -0.03 0.81 -0.30 -0.55 8.60 8.53 1a9xH1 GLU 7689 HA -0.04 0.06 0.59 -0.75 4.29 4.15 1a9xH1 GLU 7689 HB2 -0.03 0.23 0.16 -0.04 2.09 2.41 1a9xH1 GLU 7689 HB3 -0.03 0.00 0.02 -0.04 1.99 1.94 1a9xH1 GLU 7689 HG2 -0.03 0.03 0.08 -0.04 2.34 2.38 1a9xH1 GLU 7689 HG3 -0.03 -0.07 0.02 -0.04 2.34 2.22 1a9xH1 LEU 7690 H -0.05 0.22 -0.45 -0.55 8.37 7.53 1a9xH1 LEU 7690 HA -0.10 0.18 0.91 -0.75 4.35 4.58 1a9xH1 LEU 7690 HB2 -0.02 0.05 -0.04 -0.04 1.64 1.58 1a9xH1 LEU 7690 HB3 -0.02 0.01 -0.22 -0.04 1.64 1.38 1a9xH1 LEU 7690 HG -0.02 0.03 -0.47 -0.04 1.64 1.13 1a9xH1 LEU 7690 HD13 0.03 -0.00 -0.26 -0.04 0.93 0.66 1a9xH1 LEU 7690 HD23 -0.02 0.01 -0.30 -0.04 0.89 0.54 1a9xH1 PRO 7691 HA -0.22 -0.00 0.35 -0.51 4.44 4.06 1a9xH1 PRO 7691 HB2 -1.44 0.04 0.04 -0.04 2.28 0.88 1a9xH1 PRO 7691 HB3 -0.41 -0.04 0.10 -0.04 2.02 1.63 1a9xH1 PRO 7691 HG2 -0.64 0.07 0.21 -0.04 2.03 1.63 1a9xH1 PRO 7691 HG3 -0.31 -0.02 0.10 -0.04 2.03 1.75 1a9xH1 PRO 7691 HD2 -0.20 0.11 0.17 -0.04 3.68 3.72 1a9xH1 PRO 7691 HD3 -0.17 0.19 0.07 -0.04 3.65 3.70 1a9xH1 PHE 7692 H -0.47 0.71 0.16 -0.55 8.34 8.19 1a9xH1 PHE 7692 HA 0.03 0.32 1.30 -0.75 4.62 5.52 1a9xH1 PHE 7692 HB2 -0.02 -0.08 -0.12 -0.04 3.15 2.88 1a9xH1 PHE 7692 HB3 -0.01 -0.05 0.07 -0.04 3.06 3.03 1a9xH1 PHE 7692 HD2 -0.02 0.02 -0.28 -0.04 7.28 6.96 1a9xH1 PHE 7692 HE2 -0.02 0.10 -0.01 -0.04 7.38 7.41 1a9xH1 PHE 7692 HZ -0.02 -0.04 -0.01 -0.04 7.32 7.21 1a9xH1 HIS 7693 H 0.28 0.18 0.19 -0.55 8.41 8.52 1a9xH1 HIS 7693 HA 0.07 0.33 1.13 -0.75 4.63 5.40 1a9xH1 HIS 7693 HB2 0.05 0.08 0.01 -0.04 3.26 3.38 1a9xH1 HIS 7693 HB3 0.07 -0.07 0.23 -0.04 3.20 3.39 1a9xH1 HIS 7693 HD2 0.04 0.31 0.04 -0.04 6.97 7.32 1a9xH1 HIS 7693 HE1 0.01 -0.02 -0.10 -0.04 7.75 7.59 1a9xH1 VAL 7694 H 0.14 0.82 0.31 -0.55 8.24 8.96 1a9xH1 VAL 7694 HA -0.11 0.31 1.16 -0.75 4.13 4.74 1a9xH1 VAL 7694 HB 0.07 -0.03 -0.12 -0.04 2.12 2.00 1a9xH1 VAL 7694 HG13 0.26 -0.01 -0.36 -0.04 0.97 0.81 1a9xH1 VAL 7694 HG23 -0.04 -0.00 -0.31 -0.04 0.95 0.56 1a9xH1 VAL 7695 H -0.12 0.62 0.41 -0.55 8.24 8.60 1a9xH1 VAL 7695 HA -0.15 0.14 1.05 -0.75 4.13 4.41 1a9xH1 VAL 7695 HB -0.19 -0.00 0.22 -0.04 2.12 2.11 1a9xH1 VAL 7695 HG13 -0.21 -0.01 -0.16 -0.04 0.97 0.55 1a9xH1 VAL 7695 HG23 -0.23 0.02 -0.02 -0.04 0.95 0.68 1a9xH1 ALA 7696 H -0.09 1.01 0.40 -0.55 8.40 9.18 1a9xH1 ALA 7696 HA 0.09 0.26 1.22 -0.75 4.34 5.15 1a9xH1 ALA 7696 HB3 0.12 -0.02 -0.08 -0.04 1.41 1.39 1a9xH1 TYR 7697 H -0.04 0.87 0.44 -0.55 8.29 9.01 1a9xH1 TYR 7697 HA -0.28 0.16 0.70 -0.75 4.56 4.38 1a9xH1 TYR 7697 HB2 -0.49 0.02 0.26 -0.04 3.06 2.81 1a9xH1 TYR 7697 HB3 -1.44 -0.06 -0.09 -0.04 2.98 1.35 1a9xH1 TYR 7697 HD2 -0.07 0.02 -0.01 -0.04 7.15 7.04 1a9xH1 TYR 7697 HE2 0.21 0.04 -0.10 -0.04 6.85 6.97 1a9xH1 ASP 7698 H -0.25 0.70 0.22 -0.55 8.40 8.53 1a9xH1 ASP 7698 HA -0.18 0.05 0.84 -0.75 4.63 4.58 1a9xH1 ASP 7698 HB2 -0.07 0.05 0.05 -0.04 2.71 2.70 1a9xH1 ASP 7698 HB3 -0.05 0.13 0.18 -0.04 2.70 2.91 1a9xH1 PHE 7699 H -0.18 0.28 0.08 -0.55 8.34 7.97 1a9xH1 PHE 7699 HA 0.05 0.13 0.67 -0.75 4.62 4.71 1a9xH1 PHE 7699 HB2 -0.05 0.23 -0.29 -0.04 3.15 2.99 1a9xH1 PHE 7699 HB3 -0.02 -0.05 0.02 -0.04 3.06 2.97 1a9xH1 PHE 7699 HD2 -0.02 0.13 -0.14 -0.04 7.28 7.21 1a9xH1 PHE 7699 HE2 -0.03 0.05 -0.03 -0.04 7.38 7.33 1a9xH1 PHE 7699 HZ -0.41 0.04 -0.05 -0.04 7.32 6.86 1a9xH1 GLY 7700 H 0.04 -0.22 -0.32 -0.55 8.43 7.39 1a9xH1 GLY 7700 HA2 0.02 0.11 0.17 -0.51 4.01 3.81 1a9xH1 GLY 7700 HA3 0.02 0.10 0.71 -0.51 4.01 4.34 1a9xH1 ALA 7701 H 0.00 -0.09 0.12 -0.55 8.40 7.89 1a9xH1 ALA 7701 HA 0.01 0.02 0.60 -0.75 4.34 4.21 1a9xH1 ALA 7701 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 1a9xH1 LYS 7702 H -0.01 0.04 0.24 -0.55 8.42 8.14 1a9xH1 LYS 7702 HA -0.03 0.32 0.70 -0.75 4.32 4.56 1a9xH1 LYS 7702 HB2 -0.01 -0.15 0.14 -0.04 1.87 1.82 1a9xH1 LYS 7702 HB3 -0.00 0.06 0.16 -0.04 1.79 1.96 1a9xH1 LYS 7702 HG2 -0.02 0.06 0.09 -0.04 1.46 1.55 1a9xH1 LYS 7702 HG3 -0.01 -0.06 0.16 -0.04 1.46 1.51 1a9xH1 LYS 7702 HD2 0.01 0.00 0.03 -0.04 1.69 1.69 1a9xH1 LYS 7702 HD3 0.01 -0.04 0.02 -0.04 1.68 1.63 1a9xH1 LYS 7702 HE2 0.02 -0.18 0.01 -0.04 2.99 2.81 1a9xH1 LYS 7702 HE3 0.02 0.00 0.07 -0.04 2.99 3.04 1a9xH1 ARG 7703 H -0.01 0.89 0.39 -0.55 8.46 9.17 1a9xH1 ARG 7703 HA -0.33 0.04 0.37 -0.75 4.34 3.66 1a9xH1 ARG 7703 HB2 0.06 -0.01 0.17 -0.04 1.90 2.08 1a9xH1 ARG 7703 HB3 0.15 0.00 -0.04 -0.04 1.80 1.87 1a9xH1 ARG 7703 HG2 0.30 -0.05 0.01 -0.04 1.67 1.88 1a9xH1 ARG 7703 HG3 0.11 0.14 -0.08 -0.04 1.67 1.80 1a9xH1 ARG 7703 HD2 0.15 0.26 -0.16 -0.04 3.22 3.43 1a9xH1 ARG 7703 HD3 0.28 -0.02 -0.05 -0.04 3.22 3.39 1a9xH1 ASN 7704 H -0.02 0.15 -0.21 -0.55 8.53 7.90 1a9xH1 ASN 7704 HA -0.02 0.05 0.27 -0.75 4.76 4.31 1a9xH1 ASN 7704 HB2 0.00 0.00 0.04 -0.04 2.88 2.88 1a9xH1 ASN 7704 HB3 0.00 0.13 -0.09 -0.04 2.79 2.79 1a9xH1 ASN 7704 HD21 -0.06 -0.07 -0.01 -0.04 7.03 6.85 1a9xH1 ASN 7704 HD22 -0.01 0.36 -0.06 -0.04 7.74 7.98 1a9xH1 ILE 7705 H -0.08 0.39 -0.33 -0.55 8.25 7.68 1a9xH1 ILE 7705 HA 0.01 0.04 0.38 -0.75 4.18 3.86 1a9xH1 ILE 7705 HB -0.06 0.19 0.14 -0.04 1.89 2.12 1a9xH1 ILE 7705 HG12 0.15 0.02 0.00 -0.04 1.49 1.62 1a9xH1 ILE 7705 HG13 0.11 -0.05 -0.01 -0.04 1.21 1.22 1a9xH1 ILE 7705 HG23 -0.32 0.00 -0.31 -0.04 0.93 0.26 1a9xH1 ILE 7705 HD13 0.12 -0.03 0.10 -0.04 0.88 1.04 1a9xH1 LEU 7706 H -0.37 0.34 -0.12 -0.55 8.37 7.66 1a9xH1 LEU 7706 HA -0.40 0.02 0.35 -0.75 4.35 3.57 1a9xH1 LEU 7706 HB2 -1.49 0.14 0.10 -0.04 1.64 0.35 1a9xH1 LEU 7706 HB3 -1.45 -0.01 -0.00 -0.04 1.64 0.13 1a9xH1 LEU 7706 HG -0.58 0.11 -0.01 -0.04 1.64 1.12 1a9xH1 LEU 7706 HD13 -0.94 -0.01 -0.07 -0.04 0.93 -0.13 1a9xH1 LEU 7706 HD23 -0.29 -0.04 -0.14 -0.04 0.89 0.38 1a9xH1 ARG 7707 H -0.20 0.42 -0.23 -0.55 8.46 7.89 1a9xH1 ARG 7707 HA 0.19 0.38 0.46 -0.75 4.34 4.61 1a9xH1 ARG 7707 HB2 0.03 -0.01 -0.01 -0.04 1.90 1.87 1a9xH1 ARG 7707 HB3 0.10 -0.15 -0.38 -0.04 1.80 1.34 1a9xH1 ARG 7707 HG2 0.41 0.20 -0.35 -0.04 1.67 1.88 1a9xH1 ARG 7707 HG3 0.42 -0.03 -0.09 -0.04 1.67 1.93 1a9xH1 ARG 7707 HD2 0.18 -0.10 -0.28 -0.04 3.22 2.98 1a9xH1 ARG 7707 HD3 0.20 -0.09 -0.12 -0.04 3.22 3.17 1a9xH1 MET 7708 H -0.21 0.55 -0.19 -0.55 8.47 8.07 1a9xH1 MET 7708 HA -0.22 0.00 0.49 -0.75 4.52 4.04 1a9xH1 MET 7708 HB2 -0.74 0.07 0.09 -0.04 2.15 1.53 1a9xH1 MET 7708 HB3 -0.90 -0.03 0.03 -0.04 2.03 1.08 1a9xH1 MET 7708 HG2 -0.20 -0.06 -0.00 -0.04 2.63 2.33 1a9xH1 MET 7708 HG3 -0.17 0.12 0.06 -0.04 2.56 2.52 1a9xH1 MET 7708 HE3 -0.26 -0.01 -0.00 -0.04 2.10 1.78 1a9xH1 LEU 7709 H -0.23 0.41 -0.40 -0.55 8.37 7.60 1a9xH1 LEU 7709 HA -0.05 0.03 0.40 -0.75 4.35 3.98 1a9xH1 LEU 7709 HB2 -0.11 0.14 0.10 -0.04 1.64 1.73 1a9xH1 LEU 7709 HB3 0.01 -0.03 -0.14 -0.04 1.64 1.45 1a9xH1 LEU 7709 HG -0.09 0.08 -0.05 -0.04 1.64 1.54 1a9xH1 LEU 7709 HD13 -0.48 -0.03 -0.18 -0.04 0.93 0.20 1a9xH1 LEU 7709 HD23 0.38 -0.01 -0.12 -0.04 0.89 1.10 1a9xH1 VAL 7710 H -0.01 0.67 -0.00 -0.55 8.24 8.35 1a9xH1 VAL 7710 HA 0.07 0.21 0.44 -0.75 4.13 4.10 1a9xH1 VAL 7710 HB 0.14 0.14 -0.08 -0.04 2.12 2.28 1a9xH1 VAL 7710 HG13 0.09 -0.03 -0.47 -0.04 0.97 0.52 1a9xH1 VAL 7710 HG23 0.29 0.07 -0.07 -0.04 0.95 1.20 1a9xH1 ASP 7711 H -0.03 0.47 -0.31 -0.55 8.40 7.98 1a9xH1 ASP 7711 HA 0.00 -0.02 0.38 -0.75 4.63 4.24 1a9xH1 ASP 7711 HB2 -0.08 0.18 0.02 -0.04 2.71 2.79 1a9xH1 ASP 7711 HB3 -0.03 -0.06 0.04 -0.04 2.70 2.61 1a9xH1 ARG 7712 H -0.01 0.25 -0.70 -0.55 8.46 7.45 1a9xH1 ARG 7712 HA 0.04 0.12 0.76 -0.75 4.34 4.50 1a9xH1 ARG 7712 HB2 0.05 0.05 0.09 -0.04 1.90 2.05 1a9xH1 ARG 7712 HB3 0.09 -0.06 0.11 -0.04 1.80 1.90 1a9xH1 ARG 7712 HG2 0.03 -0.05 -0.05 -0.04 1.67 1.56 1a9xH1 ARG 7712 HG3 -0.03 -0.02 -0.19 -0.04 1.67 1.38 1a9xH1 ARG 7712 HD2 -0.08 0.10 -0.08 -0.04 3.22 3.12 1a9xH1 ARG 7712 HD3 0.12 -0.04 -0.22 -0.04 3.22 3.05 1a9xH1 GLY 7713 H 0.04 0.50 -0.30 -0.55 8.43 8.12 1a9xH1 GLY 7713 HA2 -0.06 0.04 0.29 -0.51 4.01 3.77 1a9xH1 GLY 7713 HA3 -0.05 0.12 0.86 -0.51 4.01 4.43 1a9xH1 CYS 7714 H 0.08 0.32 0.03 -0.55 8.50 8.38 1a9xH1 CYS 7714 HA 0.16 0.31 1.30 -0.75 4.58 5.59 1a9xH1 CYS 7714 HB2 0.09 -0.14 -0.39 -0.04 2.97 2.49 1a9xH1 CYS 7714 HB3 0.12 0.01 -0.33 -0.04 2.97 2.72 1a9xH1 ARG 7715 H 0.13 0.86 0.24 -0.55 8.46 9.14 1a9xH1 ARG 7715 HA 0.12 0.12 0.90 -0.75 4.34 4.72 1a9xH1 ARG 7715 HB2 0.05 -0.13 0.12 -0.04 1.90 1.91 1a9xH1 ARG 7715 HB3 0.04 0.12 0.11 -0.04 1.80 2.03 1a9xH1 ARG 7715 HG2 0.17 0.02 0.31 -0.04 1.67 2.13 1a9xH1 ARG 7715 HG3 0.03 -0.13 -0.13 -0.04 1.67 1.41 1a9xH1 ARG 7715 HD2 -0.05 -0.10 0.05 -0.04 3.22 3.09 1a9xH1 ARG 7715 HD3 -0.02 0.36 0.05 -0.04 3.22 3.58 1a9xH1 LEU 7716 H 0.18 0.41 0.33 -0.55 8.37 8.74 1a9xH1 LEU 7716 HA 0.17 0.48 1.59 -0.75 4.35 5.84 1a9xH1 LEU 7716 HB2 0.11 -0.12 -0.01 -0.04 1.64 1.58 1a9xH1 LEU 7716 HB3 0.02 -0.01 -0.11 -0.04 1.64 1.49 1a9xH1 LEU 7716 HG 0.11 0.10 -0.35 -0.04 1.64 1.46 1a9xH1 LEU 7716 HD13 -0.12 -0.02 -0.07 -0.04 0.93 0.68 1a9xH1 LEU 7716 HD23 0.04 -0.01 -0.29 -0.04 0.89 0.59 1a9xH1 THR 7717 H 0.06 0.74 0.46 -0.55 8.28 8.99 1a9xH1 THR 7717 HA 0.03 0.27 1.01 -0.75 4.39 4.95 1a9xH1 THR 7717 HB 0.05 -0.04 0.14 -0.04 4.32 4.44 1a9xH1 THR 7717 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.04 1a9xH1 ILE 7718 H -0.25 0.98 0.41 -0.55 8.25 8.84 1a9xH1 ILE 7718 HA -0.24 0.22 0.87 -0.75 4.18 4.27 1a9xH1 ILE 7718 HB -1.45 -0.11 0.19 -0.04 1.89 0.48 1a9xH1 ILE 7718 HG12 -0.96 -0.01 -0.09 -0.04 1.49 0.39 1a9xH1 ILE 7718 HG13 -0.32 -0.05 -0.06 -0.04 1.21 0.74 1a9xH1 ILE 7718 HG23 -0.23 -0.01 -0.10 -0.04 0.93 0.55 1a9xH1 ILE 7718 HD13 -0.11 0.06 -0.24 -0.04 0.88 0.54 1a9xH1 VAL 7719 H -0.26 0.68 0.42 -0.55 8.24 8.53 1a9xH1 VAL 7719 HA -0.12 0.21 1.23 -0.75 4.13 4.69 1a9xH1 VAL 7719 HB -0.21 -0.01 0.07 -0.04 2.12 1.93 1a9xH1 VAL 7719 HG13 -0.17 0.02 -0.27 -0.04 0.97 0.50 1a9xH1 VAL 7719 HG23 -0.70 0.06 -0.16 -0.04 0.95 0.10 1a9xH1 PRO 7720 HA 0.00 0.08 0.41 -0.51 4.44 4.42 1a9xH1 PRO 7720 HB2 -0.01 -0.15 -0.10 -0.04 2.28 1.99 1a9xH1 PRO 7720 HB3 0.01 0.28 0.09 -0.04 2.02 2.36 1a9xH1 PRO 7720 HG2 -0.01 -0.04 0.03 -0.04 2.03 1.97 1a9xH1 PRO 7720 HG3 0.02 0.28 -0.05 -0.04 2.03 2.23 1a9xH1 PRO 7720 HD2 -0.06 0.06 0.20 -0.04 3.68 3.85 1a9xH1 PRO 7720 HD3 0.01 0.17 -0.19 -0.04 3.65 3.60 1a9xH1 ALA 7721 H 0.05 0.20 0.16 -0.55 8.40 8.27 1a9xH1 ALA 7721 HA 0.27 0.05 0.30 -0.75 4.34 4.20 1a9xH1 ALA 7721 HB3 0.27 0.03 -0.00 -0.04 1.41 1.67 1a9xH1 GLN 7722 H -0.06 0.10 -0.25 -0.55 8.47 7.72 1a9xH1 GLN 7722 HA -0.01 0.14 0.55 -0.75 4.36 4.28 1a9xH1 GLN 7722 HB2 -0.13 0.04 0.00 -0.04 2.15 2.02 1a9xH1 GLN 7722 HB3 -0.18 -0.01 0.11 -0.04 2.02 1.90 1a9xH1 GLN 7722 HG2 -1.32 -0.04 -0.04 -0.04 2.40 0.95 1a9xH1 GLN 7722 HG3 -0.67 -0.11 -0.11 -0.04 2.39 1.45 1a9xH1 GLN 7722 HE21 -0.12 0.07 0.00 -0.04 6.97 6.88 1a9xH1 GLN 7722 HE22 -0.32 -0.07 -0.01 -0.04 7.69 7.25 1a9xH1 THR 7723 H 0.24 0.41 -0.70 -0.55 8.28 7.68 1a9xH1 THR 7723 HA 0.06 -0.02 0.45 -0.75 4.39 4.12 1a9xH1 THR 7723 HB -0.26 0.09 -0.04 -0.04 4.32 4.06 1a9xH1 THR 7723 HG23 -0.01 0.02 -0.11 -0.04 1.22 1.07 1a9xH1 SER 7724 H 0.09 0.05 0.17 -0.55 8.46 8.22 1a9xH1 SER 7724 HA 0.10 0.19 0.58 -0.75 4.49 4.61 1a9xH1 SER 7724 HB2 0.04 0.01 0.14 -0.04 3.95 4.09 1a9xH1 SER 7724 HB3 0.05 0.13 0.14 -0.04 3.93 4.21 1a9xH1 ALA 7725 H -0.04 0.20 0.17 -0.55 8.40 8.18 1a9xH1 ALA 7725 HA 0.02 0.14 0.34 -0.75 4.34 4.09 1a9xH1 ALA 7725 HB3 -0.32 0.03 0.13 -0.04 1.41 1.21 1a9xH1 GLU 7726 H 0.05 0.02 -0.24 -0.55 8.60 7.89 1a9xH1 GLU 7726 HA 0.08 0.12 0.31 -0.75 4.29 4.05 1a9xH1 GLU 7726 HB2 0.05 -0.11 0.05 -0.04 2.09 2.03 1a9xH1 GLU 7726 HB3 0.04 0.08 -0.05 -0.04 1.99 2.03 1a9xH1 GLU 7726 HG2 0.02 0.05 0.01 -0.04 2.34 2.38 1a9xH1 GLU 7726 HG3 0.03 0.08 0.01 -0.04 2.34 2.41 1a9xH1 ASP 7727 H 0.08 0.06 -0.12 -0.55 8.40 7.87 1a9xH1 ASP 7727 HA 0.06 0.12 0.44 -0.75 4.63 4.49 1a9xH1 ASP 7727 HB2 0.04 0.02 0.02 -0.04 2.71 2.75 1a9xH1 ASP 7727 HB3 0.03 0.05 0.08 -0.04 2.70 2.82 1a9xH1 VAL 7728 H 0.15 0.34 -0.40 -0.55 8.24 7.78 1a9xH1 VAL 7728 HA 0.02 0.03 0.42 -0.75 4.13 3.85 1a9xH1 VAL 7728 HB 0.42 0.17 0.13 -0.04 2.12 2.80 1a9xH1 VAL 7728 HG13 -0.19 -0.01 -0.14 -0.04 0.97 0.59 1a9xH1 VAL 7728 HG23 0.09 0.02 -0.12 -0.04 0.95 0.90 1a9xH1 LEU 7729 H 0.22 0.76 0.07 -0.55 8.37 8.87 1a9xH1 LEU 7729 HA 0.10 0.04 0.39 -0.75 4.35 4.12 1a9xH1 LEU 7729 HB2 0.13 0.01 0.05 -0.04 1.64 1.79 1a9xH1 LEU 7729 HB3 0.12 -0.02 0.06 -0.04 1.64 1.76 1a9xH1 LEU 7729 HG 0.42 0.14 0.07 -0.04 1.64 2.22 1a9xH1 LEU 7729 HD13 0.16 -0.04 -0.17 -0.04 0.93 0.83 1a9xH1 LEU 7729 HD23 0.21 0.00 -0.01 -0.04 0.89 1.05 1a9xH1 LYS 7730 H 0.08 0.28 -0.67 -0.55 8.42 7.56 1a9xH1 LYS 7730 HA 0.06 0.03 0.46 -0.75 4.32 4.12 1a9xH1 LYS 7730 HB2 0.05 0.26 0.10 -0.04 1.87 2.24 1a9xH1 LYS 7730 HB3 0.04 -0.07 0.05 -0.04 1.79 1.78 1a9xH1 LYS 7730 HG2 0.05 -0.04 0.01 -0.04 1.46 1.43 1a9xH1 LYS 7730 HG3 0.06 0.22 0.01 -0.04 1.46 1.71 1a9xH1 LYS 7730 HD2 0.04 -0.00 0.02 -0.04 1.69 1.70 1a9xH1 LYS 7730 HD3 0.03 -0.02 -0.00 -0.04 1.68 1.65 1a9xH1 LYS 7730 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.93 1a9xH1 LYS 7730 HE3 0.04 -0.04 -0.17 -0.04 2.99 2.79 1a9xH1 MET 7731 H 0.06 0.73 -0.21 -0.55 8.47 8.51 1a9xH1 MET 7731 HA 0.08 0.08 0.64 -0.75 4.52 4.57 1a9xH1 MET 7731 HB2 0.06 0.08 0.07 -0.04 2.15 2.32 1a9xH1 MET 7731 HB3 0.20 -0.07 0.07 -0.04 2.03 2.20 1a9xH1 MET 7731 HG2 0.07 -0.07 -0.02 -0.04 2.63 2.57 1a9xH1 MET 7731 HG3 0.05 0.14 0.03 -0.04 2.56 2.74 1a9xH1 MET 7731 HE3 -0.01 0.01 -0.16 -0.04 2.10 1.89 1a9xH1 ASN 7732 H 0.08 0.20 -0.44 -0.55 8.53 7.83 1a9xH1 ASN 7732 HA 0.10 0.07 0.28 -0.75 4.76 4.45 1a9xH1 ASN 7732 HB2 0.09 0.06 -0.02 -0.04 2.88 2.96 1a9xH1 ASN 7732 HB3 0.09 -0.01 0.15 -0.04 2.79 2.98 1a9xH1 ASN 7732 HD21 0.05 -0.07 -0.03 -0.04 7.03 6.94 1a9xH1 ASN 7732 HD22 0.05 -0.03 -0.07 -0.04 7.74 7.65 1a9xH1 PRO 7733 HA -0.06 0.06 0.28 -0.51 4.44 4.21 1a9xH1 PRO 7733 HB2 -0.11 0.04 -0.09 -0.04 2.28 2.08 1a9xH1 PRO 7733 HB3 -0.21 -0.06 0.05 -0.04 2.02 1.75 1a9xH1 PRO 7733 HG2 -0.07 0.01 -0.11 -0.04 2.03 1.81 1a9xH1 PRO 7733 HG3 -0.13 -0.03 -0.11 -0.04 2.03 1.72 1a9xH1 PRO 7733 HD2 0.06 0.10 0.05 -0.04 3.68 3.84 1a9xH1 PRO 7733 HD3 0.02 0.17 0.06 -0.04 3.65 3.85 1a9xH1 ASP 7734 H 0.02 0.71 0.45 -0.55 8.40 9.04 1a9xH1 ASP 7734 HA 0.27 0.13 0.66 -0.75 4.63 4.93 1a9xH1 ASP 7734 HB2 0.12 -0.02 0.28 -0.04 2.71 3.05 1a9xH1 ASP 7734 HB3 0.08 -0.02 0.16 -0.04 2.70 2.87 1a9xH1 GLY 7735 H -0.04 0.24 0.13 -0.55 8.43 8.22 1a9xH1 GLY 7735 HA2 -0.06 0.18 0.40 -0.51 4.01 4.02 1a9xH1 GLY 7735 HA3 0.01 0.01 0.33 -0.51 4.01 3.84 1a9xH1 ILE 7736 H 0.10 0.73 0.27 -0.55 8.25 8.81 1a9xH1 ILE 7736 HA -0.02 0.18 1.08 -0.75 4.18 4.67 1a9xH1 ILE 7736 HB -0.21 0.07 0.09 -0.04 1.89 1.80 1a9xH1 ILE 7736 HG12 -0.31 -0.01 -0.02 -0.04 1.49 1.11 1a9xH1 ILE 7736 HG13 -0.21 -0.07 -0.52 -0.04 1.21 0.38 1a9xH1 ILE 7736 HG23 -0.26 -0.03 -0.15 -0.04 0.93 0.45 1a9xH1 ILE 7736 HD13 -0.92 0.00 -0.10 -0.04 0.88 -0.17 1a9xH1 PHE 7737 H 0.12 1.17 0.53 -0.55 8.34 9.60 1a9xH1 PHE 7737 HA -0.23 0.36 1.31 -0.75 4.62 5.30 1a9xH1 PHE 7737 HB2 0.07 0.03 -0.12 -0.04 3.15 3.09 1a9xH1 PHE 7737 HB3 -0.00 -0.05 -0.03 -0.04 3.06 2.93 1a9xH1 PHE 7737 HD2 -0.40 0.01 -0.12 -0.04 7.28 6.73 1a9xH1 PHE 7737 HE2 -0.52 -0.08 -0.15 -0.04 7.38 6.59 1a9xH1 PHE 7737 HZ -0.21 -0.10 -0.06 -0.04 7.32 6.91 1a9xH1 LEU 7738 H -1.01 0.75 0.44 -0.55 8.37 8.00 1a9xH1 LEU 7738 HA -0.38 0.10 1.13 -0.75 4.35 4.45 1a9xH1 LEU 7738 HB2 -0.38 -0.13 0.25 -0.04 1.64 1.34 1a9xH1 LEU 7738 HB3 0.01 0.01 0.08 -0.04 1.64 1.69 1a9xH1 LEU 7738 HG -0.21 -0.01 -0.32 -0.04 1.64 1.06 1a9xH1 LEU 7738 HD13 -0.15 0.00 -0.15 -0.04 0.93 0.60 1a9xH1 LEU 7738 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 1a9xH1 SER 7739 H -0.48 0.41 0.27 -0.55 8.46 8.12 1a9xH1 SER 7739 HA -0.38 0.03 0.51 -0.75 4.49 3.90 1a9xH1 SER 7739 HB2 0.07 -0.14 0.23 -0.04 3.95 4.07 1a9xH1 SER 7739 HB3 -0.12 0.32 0.30 -0.04 3.93 4.38 1a9xH1 ASN 7740 H 0.01 -0.06 0.21 -0.55 8.53 8.15 1a9xH1 ASN 7740 HA -0.04 0.33 0.55 -0.75 4.76 4.84 1a9xH1 ASN 7740 HB2 -0.03 0.06 0.05 -0.04 2.88 2.91 1a9xH1 ASN 7740 HB3 -0.01 -0.05 0.11 -0.04 2.79 2.80 1a9xH1 ASN 7740 HD21 -0.03 0.28 0.08 -0.04 7.03 7.32 1a9xH1 ASN 7740 HD22 -0.04 -0.05 -0.27 -0.04 7.74 7.34 1a9xH1 GLY 7741 H -0.02 0.29 0.19 -0.55 8.43 8.34 1a9xH1 GLY 7741 HA2 0.01 0.04 0.30 -0.51 4.01 3.85 1a9xH1 GLY 7741 HA3 0.06 0.20 0.23 -0.51 4.01 3.99 1a9xH1 PRO 7742 HA 0.02 0.20 0.47 -0.51 4.44 4.62 1a9xH1 PRO 7742 HB2 0.07 -0.05 -0.01 -0.04 2.28 2.24 1a9xH1 PRO 7742 HB3 0.07 0.11 0.10 -0.04 2.02 2.26 1a9xH1 PRO 7742 HG2 0.07 -0.01 -0.28 -0.04 2.03 1.77 1a9xH1 PRO 7742 HG3 0.06 0.12 -0.01 -0.04 2.03 2.16 1a9xH1 PRO 7742 HD2 0.05 0.37 0.23 -0.04 3.68 4.29 1a9xH1 PRO 7742 HD3 0.00 0.03 0.02 -0.04 3.65 3.65 1a9xH1 GLY 7743 H 0.09 0.19 0.14 -0.55 8.43 8.31 1a9xH1 GLY 7743 HA2 0.15 -0.00 0.36 -0.51 4.01 4.00 1a9xH1 GLY 7743 HA3 0.02 0.04 0.39 -0.51 4.01 3.96 1a9xH1 ASP 7744 H -0.12 0.66 0.30 -0.55 8.40 8.69 1a9xH1 ASP 7744 HA -1.37 0.07 0.55 -0.75 4.63 3.12 1a9xH1 ASP 7744 HB2 -0.19 0.13 0.16 -0.04 2.71 2.77 1a9xH1 ASP 7744 HB3 -0.22 0.01 -0.15 -0.04 2.70 2.31 1a9xH1 PRO 7745 HA -0.32 0.14 0.55 -0.51 4.44 4.30 1a9xH1 PRO 7745 HB2 -0.28 0.03 -0.19 -0.04 2.28 1.79 1a9xH1 PRO 7745 HB3 -0.29 0.09 0.02 -0.04 2.02 1.80 1a9xH1 PRO 7745 HG2 -0.27 0.00 -0.04 -0.04 2.03 1.69 1a9xH1 PRO 7745 HG3 -0.24 0.04 0.01 -0.04 2.03 1.80 1a9xH1 PRO 7745 HD2 -0.83 -0.02 0.18 -0.04 3.68 2.97 1a9xH1 PRO 7745 HD3 -0.76 0.27 0.24 -0.04 3.65 3.36 1a9xH1 ALA 7746 H -0.32 0.07 -0.09 -0.55 8.40 7.51 1a9xH1 ALA 7746 HA -0.19 0.08 0.30 -0.75 4.34 3.77 1a9xH1 ALA 7746 HB3 -0.14 -0.00 0.03 -0.04 1.41 1.26 1a9xH1 PRO 7747 HA -0.13 0.12 0.43 -0.51 4.44 4.34 1a9xH1 PRO 7747 HB2 -0.09 -0.06 -0.12 -0.04 2.28 1.97 1a9xH1 PRO 7747 HB3 -0.08 0.10 0.08 -0.04 2.02 2.08 1a9xH1 PRO 7747 HG2 -0.13 0.09 -0.47 -0.04 2.03 1.48 1a9xH1 PRO 7747 HG3 -0.09 0.13 -0.36 -0.04 2.03 1.67 1a9xH1 PRO 7747 HD2 -0.24 0.01 -0.73 -0.04 3.68 2.68 1a9xH1 PRO 7747 HD3 -0.16 0.01 -0.12 -0.04 3.65 3.35 1a9xH1 CYS 7748 H -0.30 0.58 -0.41 -0.55 8.50 7.83 1a9xH1 CYS 7748 HA -0.65 0.02 0.64 -0.75 4.58 3.84 1a9xH1 CYS 7748 HB2 -0.54 0.07 0.18 -0.04 2.97 2.64 1a9xH1 CYS 7748 HB3 -0.84 -0.11 0.07 -0.04 2.97 2.06 1a9xH1 ASP 7749 H -0.31 0.51 0.10 -0.55 8.40 8.15 1a9xH1 ASP 7749 HA -0.23 0.13 0.34 -0.75 4.63 4.12 1a9xH1 ASP 7749 HB2 -0.07 0.00 -0.05 -0.04 2.71 2.56 1a9xH1 ASP 7749 HB3 -0.10 0.09 0.09 -0.04 2.70 2.73 1a9xH1 TYR 7750 H -0.32 0.12 -0.09 -0.55 8.29 7.46 1a9xH1 TYR 7750 HA -0.04 0.06 0.40 -0.75 4.56 4.22 1a9xH1 TYR 7750 HB2 0.03 0.11 -0.08 -0.04 3.06 3.09 1a9xH1 TYR 7750 HB3 0.00 0.03 0.07 -0.04 2.98 3.05 1a9xH1 TYR 7750 HD2 0.02 0.14 -0.08 -0.04 7.15 7.20 1a9xH1 TYR 7750 HE2 0.03 0.07 -0.07 -0.04 6.85 6.83 1a9xH1 ALA 7751 H -0.65 0.12 -0.30 -0.55 8.40 7.03 1a9xH1 ALA 7751 HA -0.08 0.12 0.50 -0.75 4.34 4.13 1a9xH1 ALA 7751 HB3 -0.17 0.05 0.00 -0.04 1.41 1.25 1a9xH1 ILE 7752 H -0.32 0.39 -0.18 -0.55 8.25 7.59 1a9xH1 ILE 7752 HA -0.19 0.04 0.34 -0.75 4.18 3.61 1a9xH1 ILE 7752 HB -0.20 0.10 0.15 -0.04 1.89 1.90 1a9xH1 ILE 7752 HG12 -0.21 -0.06 -0.04 -0.04 1.49 1.14 1a9xH1 ILE 7752 HG13 -0.29 -0.01 0.01 -0.04 1.21 0.87 1a9xH1 ILE 7752 HG23 -0.14 -0.00 -0.18 -0.04 0.93 0.57 1a9xH1 ILE 7752 HD13 -0.21 -0.01 -0.15 -0.04 0.88 0.48 1a9xH1 THR 7753 H -0.14 0.56 -0.21 -0.55 8.28 7.93 1a9xH1 THR 7753 HA -0.11 0.06 0.28 -0.75 4.39 3.86 1a9xH1 THR 7753 HB -0.06 0.13 0.19 -0.04 4.32 4.54 1a9xH1 THR 7753 HG23 -0.07 -0.03 -0.17 -0.04 1.22 0.91 1a9xH1 ALA 7754 H -0.13 0.62 0.00 -0.55 8.40 8.35 1a9xH1 ALA 7754 HA -0.38 -0.13 0.49 -0.75 4.34 3.57 1a9xH1 ALA 7754 HB3 -0.18 0.02 0.12 -0.04 1.41 1.33 1a9xH1 ILE 7755 H -0.21 0.88 -0.19 -0.55 8.25 8.18 1a9xH1 ILE 7755 HA 0.06 -0.04 0.35 -0.75 4.18 3.80 1a9xH1 ILE 7755 HB -0.12 0.12 0.05 -0.04 1.89 1.90 1a9xH1 ILE 7755 HG12 0.00 -0.07 -0.08 -0.04 1.49 1.30 1a9xH1 ILE 7755 HG13 -0.14 0.16 0.04 -0.04 1.21 1.23 1a9xH1 ILE 7755 HG23 -0.02 -0.02 -0.15 -0.04 0.93 0.70 1a9xH1 ILE 7755 HD13 -0.17 -0.05 -0.29 -0.04 0.88 0.34 1a9xH1 GLN 7756 H -0.16 0.50 -0.32 -0.55 8.47 7.94 1a9xH1 GLN 7756 HA -0.07 0.05 0.36 -0.75 4.36 3.95 1a9xH1 GLN 7756 HB2 -0.11 0.24 0.28 -0.04 2.15 2.51 1a9xH1 GLN 7756 HB3 -0.08 -0.10 0.01 -0.04 2.02 1.82 1a9xH1 GLN 7756 HG2 -0.06 0.02 0.08 -0.04 2.40 2.40 1a9xH1 GLN 7756 HG3 -0.09 -0.05 0.11 -0.04 2.39 2.33 1a9xH1 GLN 7756 HE21 -0.08 -0.10 -0.05 -0.04 6.97 6.71 1a9xH1 GLN 7756 HE22 -0.07 0.22 0.05 -0.04 7.69 7.85 1a9xH1 LYS 7757 H -0.24 0.35 -0.21 -0.55 8.42 7.77 1a9xH1 LYS 7757 HA -0.07 0.03 0.41 -0.75 4.32 3.93 1a9xH1 LYS 7757 HB2 -0.43 0.19 0.26 -0.04 1.87 1.85 1a9xH1 LYS 7757 HB3 -0.18 -0.04 -0.08 -0.04 1.79 1.45 1a9xH1 LYS 7757 HG2 -0.09 -0.11 0.01 -0.04 1.46 1.23 1a9xH1 LYS 7757 HG3 -0.08 0.04 0.03 -0.04 1.46 1.41 1a9xH1 LYS 7757 HD2 -0.11 0.08 -0.04 -0.04 1.69 1.58 1a9xH1 LYS 7757 HD3 -0.21 0.02 -0.01 -0.04 1.68 1.44 1a9xH1 LYS 7757 HE2 -0.08 -0.20 0.02 -0.04 2.99 2.69 1a9xH1 LYS 7757 HE3 -0.05 -0.01 0.00 -0.04 2.99 2.89 1a9xH1 PHE 7758 H -0.38 0.53 0.01 -0.55 8.34 7.95 1a9xH1 PHE 7758 HA 0.01 -0.03 0.41 -0.75 4.62 4.25 1a9xH1 PHE 7758 HB2 -0.02 0.08 0.08 -0.04 3.15 3.26 1a9xH1 PHE 7758 HB3 -0.00 0.01 0.02 -0.04 3.06 3.05 1a9xH1 PHE 7758 HD2 0.01 -0.01 -0.08 -0.04 7.28 7.16 1a9xH1 PHE 7758 HE2 0.10 0.06 -0.03 -0.04 7.38 7.47 1a9xH1 PHE 7758 HZ 0.31 -0.01 -0.16 -0.04 7.32 7.42 1a9xH1 LEU 7759 H 0.04 0.60 -0.35 -0.55 8.37 8.11 1a9xH1 LEU 7759 HA 0.05 0.07 0.32 -0.75 4.35 4.04 1a9xH1 LEU 7759 HB2 -0.00 0.10 0.06 -0.04 1.64 1.76 1a9xH1 LEU 7759 HB3 0.01 -0.07 0.09 -0.04 1.64 1.63 1a9xH1 LEU 7759 HG 0.03 -0.01 -0.09 -0.04 1.64 1.53 1a9xH1 LEU 7759 HD13 -0.02 -0.02 -0.17 -0.04 0.93 0.67 1a9xH1 LEU 7759 HD23 0.02 -0.02 -0.06 -0.04 0.89 0.79 1a9xH1 GLU 7760 H 0.04 0.46 -0.70 -0.55 8.60 7.85 1a9xH1 GLU 7760 HA 0.02 0.11 0.82 -0.75 4.29 4.48 1a9xH1 GLU 7760 HB2 0.02 0.23 0.19 -0.04 2.09 2.49 1a9xH1 GLU 7760 HB3 0.02 -0.12 0.02 -0.04 1.99 1.88 1a9xH1 GLU 7760 HG2 0.00 -0.08 0.05 -0.04 2.34 2.27 1a9xH1 GLU 7760 HG3 -0.00 0.12 -0.02 -0.04 2.34 2.40 1a9xH1 THR 7761 H 0.07 0.33 -0.08 -0.55 8.28 8.05 1a9xH1 THR 7761 HA 0.06 0.09 0.63 -0.75 4.39 4.41 1a9xH1 THR 7761 HB 0.08 -0.12 0.19 -0.04 4.32 4.43 1a9xH1 THR 7761 HG23 0.10 0.03 0.04 -0.04 1.22 1.36 1a9xH1 ASP 7762 H 0.08 0.09 0.13 -0.55 8.40 8.15 1a9xH1 ASP 7762 HA 0.02 0.31 0.95 -0.75 4.63 5.16 1a9xH1 ASP 7762 HB2 0.17 -0.04 0.11 -0.04 2.71 2.90 1a9xH1 ASP 7762 HB3 0.15 0.01 0.19 -0.04 2.70 3.00 1a9xH1 ILE 7763 H -0.10 0.01 -0.19 -0.55 8.25 7.41 1a9xH1 ILE 7763 HA -1.06 0.17 0.52 -0.75 4.18 3.05 1a9xH1 ILE 7763 HB -0.14 -0.05 -0.01 -0.04 1.89 1.65 1a9xH1 ILE 7763 HG12 -0.28 -0.00 -0.04 -0.04 1.49 1.12 1a9xH1 ILE 7763 HG13 -0.03 -0.10 0.05 -0.04 1.21 1.09 1a9xH1 ILE 7763 HG23 -0.26 0.06 -0.18 -0.04 0.93 0.51 1a9xH1 ILE 7763 HD13 0.01 0.04 -0.06 -0.04 0.88 0.83 1a9xH1 PRO 7764 HA 0.02 0.21 0.59 -0.51 4.44 4.75 1a9xH1 PRO 7764 HB2 0.18 -0.08 0.07 -0.04 2.28 2.41 1a9xH1 PRO 7764 HB3 0.07 -0.03 0.14 -0.04 2.02 2.16 1a9xH1 PRO 7764 HG2 -0.08 0.10 0.12 -0.04 2.03 2.12 1a9xH1 PRO 7764 HG3 -0.04 0.06 -0.05 -0.04 2.03 1.96 1a9xH1 PRO 7764 HD2 -0.59 0.15 0.24 -0.04 3.68 3.44 1a9xH1 PRO 7764 HD3 -0.73 0.30 0.35 -0.04 3.65 3.54 1a9xH1 VAL 7765 H 0.10 0.86 0.49 -0.55 8.24 9.13 1a9xH1 VAL 7765 HA 0.02 0.23 1.09 -0.75 4.13 4.72 1a9xH1 VAL 7765 HB 0.01 -0.07 0.06 -0.04 2.12 2.08 1a9xH1 VAL 7765 HG13 -0.07 -0.03 -0.16 -0.04 0.97 0.67 1a9xH1 VAL 7765 HG23 0.01 0.08 -0.24 -0.04 0.95 0.75 1a9xH1 PHE 7766 H -0.25 0.55 0.34 -0.55 8.34 8.43 1a9xH1 PHE 7766 HA -0.76 0.48 1.02 -0.75 4.62 4.61 1a9xH1 PHE 7766 HB2 -1.11 0.06 -0.08 -0.04 3.15 1.98 1a9xH1 PHE 7766 HB3 -2.04 -0.03 0.05 -0.04 3.06 1.00 1a9xH1 PHE 7766 HD2 -1.15 0.14 -0.01 -0.04 7.28 6.22 1a9xH1 PHE 7766 HE2 -0.54 -0.06 -0.13 -0.04 7.38 6.61 1a9xH1 PHE 7766 HZ -0.58 -0.09 -0.21 -0.04 7.32 6.40 1a9xH1 GLY 7767 H -0.41 0.48 0.39 -0.55 8.43 8.34 1a9xH1 GLY 7767 HA2 -0.80 0.27 1.08 -0.51 4.01 4.05 1a9xH1 GLY 7767 HA3 -0.39 0.04 0.13 -0.51 4.01 3.28 1a9xH1 ILE 7768 H -0.51 0.68 0.25 -0.55 8.25 8.11 1a9xH1 ILE 7768 HA -0.20 0.33 1.02 -0.75 4.18 4.58 1a9xH1 ILE 7768 HB -0.12 -0.05 0.12 -0.04 1.89 1.80 1a9xH1 ILE 7768 HG12 -0.18 0.03 0.02 -0.04 1.49 1.32 1a9xH1 ILE 7768 HG13 -0.79 0.01 -0.37 -0.04 1.21 0.02 1a9xH1 ILE 7768 HG23 -0.03 0.07 0.14 -0.04 0.93 1.06 1a9xH1 ILE 7768 HD13 -0.12 -0.02 -0.07 -0.04 0.88 0.63 1a9xH1 LEU 7770 HA -0.12 -0.04 0.33 -0.75 4.35 3.77 1a9xH1 LEU 7770 HB2 -0.07 0.06 0.25 -0.04 1.64 1.83 1a9xH1 LEU 7770 HB3 -0.07 0.16 0.15 -0.04 1.64 1.84 1a9xH1 LEU 7770 HG -0.30 -0.16 -0.11 -0.04 1.64 1.03 1a9xH1 LEU 7770 HD13 -0.19 0.05 -0.03 -0.04 0.93 0.73 1a9xH1 LEU 7770 HD23 -0.32 0.00 -0.14 -0.04 0.89 0.39 1a9xH1 GLY 7771 H -0.13 0.70 -0.62 -0.55 8.43 7.84 1a9xH1 GLY 7771 HA2 -0.18 -0.02 0.23 -0.51 4.01 3.53 1a9xH1 GLY 7771 HA3 -0.24 0.18 0.23 -0.51 4.01 3.67 1a9xH1 HIS 7772 H -0.05 0.22 -0.60 -0.55 8.41 7.43 1a9xH1 HIS 7772 HA -0.17 0.11 0.39 -0.75 4.63 4.21 1a9xH1 HIS 7772 HB2 -0.14 -0.03 -0.30 -0.04 3.26 2.75 1a9xH1 HIS 7772 HB3 -0.19 0.09 -0.23 -0.04 3.20 2.83 1a9xH1 HIS 7772 HD2 -0.19 0.02 -0.28 -0.04 6.97 6.47 1a9xH1 HIS 7772 HE1 -0.07 -0.06 -0.43 -0.04 7.75 7.15 1a9xH1 GLN 7773 H -0.08 0.23 -0.38 -0.55 8.47 7.69 1a9xH1 GLN 7773 HA -0.27 0.02 0.29 -0.75 4.36 3.66 1a9xH1 GLN 7773 HB2 -0.15 0.24 0.08 -0.04 2.15 2.27 1a9xH1 GLN 7773 HB3 -0.17 -0.06 -0.10 -0.04 2.02 1.66 1a9xH1 GLN 7773 HG2 -0.04 -0.07 -0.19 -0.04 2.40 2.06 1a9xH1 GLN 7773 HG3 0.07 -0.05 -0.10 -0.04 2.39 2.27 1a9xH1 GLN 7773 HE21 0.12 -0.09 0.08 -0.04 6.97 7.04 1a9xH1 GLN 7773 HE22 0.03 0.06 -0.15 -0.04 7.69 7.58 1a9xH1 LEU 7774 H -0.23 0.54 -0.24 -0.55 8.37 7.91 1a9xH1 LEU 7774 HA -0.24 0.04 0.36 -0.75 4.35 3.75 1a9xH1 LEU 7774 HB2 -0.26 0.07 -0.01 -0.04 1.64 1.40 1a9xH1 LEU 7774 HB3 -0.28 -0.01 -0.14 -0.04 1.64 1.16 1a9xH1 LEU 7774 HG -0.35 0.12 -0.10 -0.04 1.64 1.27 1a9xH1 LEU 7774 HD13 -0.78 -0.01 -0.15 -0.04 0.93 -0.06 1a9xH1 LEU 7774 HD23 -0.36 -0.01 -0.10 -0.04 0.89 0.39 1a9xH1 LEU 7775 H -0.19 0.48 -0.31 -0.55 8.37 7.80 1a9xH1 LEU 7775 HA -0.12 0.05 0.27 -0.75 4.35 3.80 1a9xH1 LEU 7775 HB2 -0.13 -0.01 -0.04 -0.04 1.64 1.42 1a9xH1 LEU 7775 HB3 -0.16 0.07 0.00 -0.04 1.64 1.51 1a9xH1 LEU 7775 HG -0.09 0.01 -0.39 -0.04 1.64 1.12 1a9xH1 LEU 7775 HD13 -0.04 0.00 -0.11 -0.04 0.93 0.74 1a9xH1 LEU 7775 HD23 -0.06 -0.01 -0.39 -0.04 0.89 0.39 1a9xH1 ALA 7776 H -0.24 0.25 -0.70 -0.55 8.40 7.16 1a9xH1 ALA 7776 HA -0.15 0.06 0.30 -0.75 4.34 3.80 1a9xH1 ALA 7776 HB3 -0.25 0.03 -0.06 -0.04 1.41 1.08 1a9xH1 LEU 7777 H -0.17 0.48 -0.13 -0.55 8.37 8.01 1a9xH1 LEU 7777 HA -0.11 0.29 0.38 -0.75 4.35 4.15 1a9xH1 LEU 7777 HB2 -0.18 0.01 0.09 -0.04 1.64 1.52 1a9xH1 LEU 7777 HB3 -0.14 -0.01 -0.04 -0.04 1.64 1.41 1a9xH1 LEU 7777 HG -0.16 0.07 -0.06 -0.04 1.64 1.44 1a9xH1 LEU 7777 HD13 -0.21 -0.04 -0.25 -0.04 0.93 0.39 1a9xH1 LEU 7777 HD23 -0.12 0.06 0.01 -0.04 0.89 0.80 1a9xH1 ALA 7778 H -0.14 0.75 -0.07 -0.55 8.40 8.39 1a9xH1 ALA 7778 HA -0.10 -0.00 0.35 -0.75 4.34 3.83 1a9xH1 ALA 7778 HB3 -0.10 -0.00 -0.03 -0.04 1.41 1.24 1a9xH1 SER 7779 H -0.09 0.20 -0.87 -0.55 8.46 7.15 1a9xH1 SER 7779 HA -0.04 0.12 0.68 -0.75 4.49 4.49 1a9xH1 SER 7779 HB2 -0.06 0.29 0.06 -0.04 3.95 4.20 1a9xH1 SER 7779 HB3 -0.05 -0.07 0.04 -0.04 3.93 3.81 1a9xH1 GLY 7780 H -0.07 0.44 -0.26 -0.55 8.43 7.99 1a9xH1 GLY 7780 HA2 -0.05 -0.01 0.31 -0.51 4.01 3.74 1a9xH1 GLY 7780 HA3 -0.04 0.07 0.86 -0.51 4.01 4.38 1a9xH1 ALA 7781 H -0.07 0.53 0.10 -0.55 8.40 8.41 1a9xH1 ALA 7781 HA -0.05 0.56 0.94 -0.75 4.34 5.04 1a9xH1 ALA 7781 HB3 -0.07 -0.08 -0.03 -0.04 1.41 1.19 1a9xH1 LYS 7782 H -0.05 0.19 0.19 -0.55 8.42 8.20 1a9xH1 LYS 7782 HA -0.06 0.18 0.85 -0.75 4.32 4.54 1a9xH1 LYS 7782 HB2 -0.03 -0.09 0.03 -0.04 1.87 1.73 1a9xH1 LYS 7782 HB3 -0.04 0.01 0.11 -0.04 1.79 1.83 1a9xH1 LYS 7782 HG2 -0.04 0.10 -0.48 -0.04 1.46 1.00 1a9xH1 LYS 7782 HG3 -0.03 -0.01 0.01 -0.04 1.46 1.39 1a9xH1 LYS 7782 HD2 -0.03 -0.05 -0.01 -0.04 1.69 1.56 1a9xH1 LYS 7782 HD3 -0.04 0.03 -0.05 -0.04 1.68 1.58 1a9xH1 LYS 7782 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.89 1a9xH1 LYS 7782 HE3 -0.03 0.10 -0.02 -0.04 2.99 3.00 1a9xH1 THR 7783 H -0.05 0.23 0.21 -0.55 8.28 8.12 1a9xH1 THR 7783 HA -0.02 0.14 1.15 -0.75 4.39 4.90 1a9xH1 THR 7783 HB 0.01 0.05 0.02 -0.04 4.32 4.36 1a9xH1 THR 7783 HG23 -0.11 -0.00 -0.19 -0.04 1.22 0.88 1a9xH1 VAL 7784 H 0.05 0.87 0.43 -0.55 8.24 9.04 1a9xH1 VAL 7784 HA 0.07 0.19 0.98 -0.75 4.13 4.61 1a9xH1 VAL 7784 HB -0.00 0.08 0.10 -0.04 2.12 2.26 1a9xH1 VAL 7784 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.70 1a9xH1 VAL 7784 HG23 -0.02 -0.01 -0.22 -0.04 0.95 0.65 1a9xH1 LYS 7785 H 0.02 0.19 0.21 -0.55 8.42 8.28 1a9xH1 LYS 7785 HA -0.46 0.10 0.88 -0.75 4.32 4.09 1a9xH1 LYS 7785 HB2 -0.11 -0.09 0.11 -0.04 1.87 1.74 1a9xH1 LYS 7785 HB3 -0.12 0.02 0.12 -0.04 1.79 1.77 1a9xH1 LYS 7785 HG2 -0.32 0.28 -0.09 -0.04 1.46 1.29 1a9xH1 LYS 7785 HG3 -1.02 0.03 0.07 -0.04 1.46 0.50 1a9xH1 LYS 7785 HD2 -0.13 -0.11 0.01 -0.04 1.69 1.42 1a9xH1 LYS 7785 HD3 -0.13 0.07 -0.01 -0.04 1.68 1.57 1a9xH1 LYS 7785 HE2 -0.63 -0.04 -0.08 -0.04 2.99 2.21 1a9xH1 LYS 7785 HE3 -0.05 -0.17 -0.02 -0.04 2.99 2.71 1a9xH1 MET 7786 H -0.34 0.96 0.43 -0.55 8.47 8.97 1a9xH1 MET 7786 HA -0.17 0.08 0.57 -0.75 4.52 4.25 1a9xH1 MET 7786 HB2 -0.29 0.09 0.03 -0.04 2.15 1.94 1a9xH1 MET 7786 HB3 -0.32 -0.22 0.07 -0.04 2.03 1.52 1a9xH1 MET 7786 HG2 -0.18 0.02 -0.15 -0.04 2.63 2.28 1a9xH1 MET 7786 HG3 -0.17 0.00 -0.40 -0.04 2.56 1.95 1a9xH1 MET 7786 HE3 -0.20 0.05 -0.54 -0.04 2.10 1.37 1a9xH1 LYS 7787 H -0.19 0.11 0.18 -0.55 8.42 7.97 1a9xH1 LYS 7787 HA -0.05 0.13 0.42 -0.75 4.32 4.07 1a9xH1 LYS 7787 HB2 -0.08 -0.00 0.17 -0.04 1.87 1.92 1a9xH1 LYS 7787 HB3 -0.22 -0.08 0.16 -0.04 1.79 1.62 1a9xH1 LYS 7787 HG2 0.17 -0.01 -0.14 -0.04 1.46 1.44 1a9xH1 LYS 7787 HG3 0.04 0.04 0.02 -0.04 1.46 1.53 1a9xH1 LYS 7787 HD2 0.04 -0.08 0.01 -0.04 1.69 1.62 1a9xH1 LYS 7787 HD3 0.15 0.00 -0.00 -0.04 1.68 1.79 1a9xH1 LYS 7787 HE2 0.16 -0.06 -0.50 -0.04 2.99 2.55 1a9xH1 LYS 7787 HE3 0.08 -0.04 -0.12 -0.04 2.99 2.87 1a9xH1 PHE 7788 H -0.42 -0.16 -0.01 -0.55 8.34 7.19 1a9xH1 PHE 7788 HA -0.04 0.17 0.83 -0.75 4.62 4.83 1a9xH1 PHE 7788 HB2 -0.03 -0.06 0.11 -0.04 3.15 3.12 1a9xH1 PHE 7788 HB3 0.04 0.17 -0.02 -0.04 3.06 3.20 1a9xH1 PHE 7788 HD2 -0.07 0.07 -0.15 -0.04 7.28 7.09 1a9xH1 PHE 7788 HE2 0.08 0.03 0.03 -0.04 7.38 7.48 1a9xH1 PHE 7788 HZ 0.13 -0.05 -0.00 -0.04 7.32 7.35 1a9xH1 GLY 7789 H -0.41 -0.18 0.07 -0.55 8.43 7.36 1a9xH1 GLY 7789 HA2 -0.48 -0.01 0.38 -0.51 4.01 3.40 1a9xH1 GLY 7789 HA3 -0.28 0.18 0.70 -0.51 4.01 4.09 1a9xH1 HIS 7790 H -0.89 0.68 0.26 -0.55 8.41 7.92 1a9xH1 HIS 7790 HA -0.19 0.13 0.75 -0.75 4.63 4.56 1a9xH1 HIS 7790 HB2 -0.94 0.02 0.10 -0.04 3.26 2.40 1a9xH1 HIS 7790 HB3 -0.27 -0.05 -0.07 -0.04 3.20 2.77 1a9xH1 HIS 7790 HD2 -0.03 0.31 -0.15 -0.04 6.97 7.06 1a9xH1 HIS 7790 HE1 0.02 -0.07 -0.08 -0.04 7.75 7.58 1a9xH1 HIS 7791 H -0.00 0.27 0.06 -0.55 8.41 8.20 1a9xH1 HIS 7791 HA 0.09 0.58 1.00 -0.75 4.63 5.54 1a9xH1 HIS 7791 HB2 0.01 0.20 0.36 -0.04 3.26 3.79 1a9xH1 HIS 7791 HB3 0.17 -0.04 0.07 -0.04 3.20 3.36 1a9xH1 HIS 7791 HD2 -0.26 0.14 -0.03 -0.04 6.97 6.78 1a9xH1 HIS 7791 HE1 -0.03 -0.03 -0.26 -0.04 7.75 7.39 1a9xH1 GLY 7792 H 0.16 0.61 0.39 -0.55 8.43 9.04 1a9xH1 GLY 7792 HA2 0.16 -0.09 0.37 -0.51 4.01 3.95 1a9xH1 GLY 7792 HA3 0.18 0.08 0.58 -0.51 4.01 4.35 1a9xH1 GLY 7793 H 0.11 0.14 0.05 -0.55 8.43 8.19 1a9xH1 GLY 7793 HA2 0.09 0.33 1.18 -0.51 4.01 5.10 1a9xH1 GLY 7793 HA3 0.08 -0.00 0.35 -0.51 4.01 3.93 1a9xH1 ASN 7794 H 0.11 0.05 -0.06 -0.55 8.53 8.08 1a9xH1 ASN 7794 HA 0.03 0.19 0.76 -0.75 4.76 5.00 1a9xH1 ASN 7794 HB2 0.08 0.06 0.13 -0.04 2.88 3.11 1a9xH1 ASN 7794 HB3 0.08 -0.05 -0.04 -0.04 2.79 2.74 1a9xH1 ASN 7794 HD21 0.21 0.04 -0.03 -0.04 7.03 7.21 1a9xH1 ASN 7794 HD22 0.14 0.02 0.01 -0.04 7.74 7.87 1a9xH1 HIS 7795 H 0.07 0.27 -0.06 -0.55 8.41 8.14 1a9xH1 HIS 7795 HA -0.85 0.16 0.53 -0.75 4.63 3.72 1a9xH1 HIS 7795 HB2 -0.12 -0.07 -0.03 -0.04 3.26 3.01 1a9xH1 HIS 7795 HB3 -0.15 0.01 -0.05 -0.04 3.20 2.97 1a9xH1 HIS 7795 HD2 -0.31 0.17 -0.36 -0.04 6.97 6.43 1a9xH1 HIS 7795 HE1 -1.03 0.05 -0.06 -0.04 7.75 6.67 1a9xH1 PRO 7796 HA -0.09 0.29 0.69 -0.51 4.44 4.82 1a9xH1 PRO 7796 HB2 -0.09 -0.00 -0.06 -0.04 2.28 2.08 1a9xH1 PRO 7796 HB3 -0.12 0.05 0.02 -0.04 2.02 1.94 1a9xH1 PRO 7796 HG2 -0.32 -0.06 -0.05 -0.04 2.03 1.56 1a9xH1 PRO 7796 HG3 -0.23 0.11 0.04 -0.04 2.03 1.90 1a9xH1 PRO 7796 HD2 -2.27 -0.04 0.18 -0.04 3.68 1.52 1a9xH1 PRO 7796 HD3 -1.44 0.29 0.30 -0.04 3.65 2.76 1a9xH1 VAL 7797 H 0.03 0.74 0.40 -0.55 8.24 8.86 1a9xH1 VAL 7797 HA 0.07 0.07 0.97 -0.75 4.13 4.49 1a9xH1 VAL 7797 HB 0.15 0.03 -0.00 -0.04 2.12 2.26 1a9xH1 VAL 7797 HG13 0.19 -0.01 -0.35 -0.04 0.97 0.76 1a9xH1 VAL 7797 HG23 0.03 -0.00 -0.36 -0.04 0.95 0.57 1a9xH1 LYS 7798 H 0.09 0.70 0.29 -0.55 8.42 8.94 1a9xH1 LYS 7798 HA 0.09 0.29 1.04 -0.75 4.32 4.99 1a9xH1 LYS 7798 HB2 0.05 -0.02 -0.06 -0.04 1.87 1.79 1a9xH1 LYS 7798 HB3 0.05 -0.04 0.00 -0.04 1.79 1.76 1a9xH1 LYS 7798 HG2 0.03 0.02 -0.56 -0.04 1.46 0.91 1a9xH1 LYS 7798 HG3 0.04 0.05 -0.26 -0.04 1.46 1.25 1a9xH1 LYS 7798 HD2 0.03 -0.02 -0.14 -0.04 1.69 1.51 1a9xH1 LYS 7798 HD3 0.02 0.06 -0.15 -0.04 1.68 1.56 1a9xH1 LYS 7798 HE2 0.02 0.07 -0.26 -0.04 2.99 2.78 1a9xH1 LYS 7798 HE3 0.03 -0.06 -0.19 -0.04 2.99 2.73 1a9xH1 ASP 7799 H 0.10 0.70 0.28 -0.55 8.40 8.93 1a9xH1 ASP 7799 HA -0.18 0.17 0.68 -0.75 4.63 4.54 1a9xH1 ASP 7799 HB2 0.14 0.08 0.12 -0.04 2.71 3.01 1a9xH1 ASP 7799 HB3 0.03 -0.14 0.33 -0.04 2.70 2.87 1a9xH1 VAL 7800 H -0.13 0.49 0.11 -0.55 8.24 8.16 1a9xH1 VAL 7800 HA -0.02 0.03 0.30 -0.75 4.13 3.69 1a9xH1 VAL 7800 HB -0.02 0.05 -0.06 -0.04 2.12 2.05 1a9xH1 VAL 7800 HG13 0.00 -0.00 -0.13 -0.04 0.97 0.80 1a9xH1 VAL 7800 HG23 -0.08 0.09 -0.22 -0.04 0.95 0.70 1a9xH1 GLU 7801 H -0.12 0.14 -0.10 -0.55 8.60 7.98 1a9xH1 GLU 7801 HA -0.05 0.11 0.37 -0.75 4.29 3.97 1a9xH1 GLU 7801 HB2 -0.09 -0.08 0.06 -0.04 2.09 1.93 1a9xH1 GLU 7801 HB3 -0.07 0.05 -0.03 -0.04 1.99 1.91 1a9xH1 GLU 7801 HG2 -0.07 0.05 0.02 -0.04 2.34 2.30 1a9xH1 GLU 7801 HG3 -0.08 -0.03 0.07 -0.04 2.34 2.26 1a9xH1 LYS 7802 H -0.05 -0.01 -0.15 -0.55 8.42 7.65 1a9xH1 LYS 7802 HA -0.02 0.14 0.56 -0.75 4.32 4.24 1a9xH1 LYS 7802 HB2 -0.01 -0.06 0.07 -0.04 1.87 1.83 1a9xH1 LYS 7802 HB3 -0.01 0.02 0.02 -0.04 1.79 1.78 1a9xH1 LYS 7802 HG2 -0.03 0.05 -0.03 -0.04 1.46 1.41 1a9xH1 LYS 7802 HG3 -0.05 -0.07 -0.08 -0.04 1.46 1.22 1a9xH1 LYS 7802 HD2 -0.02 -0.04 -0.02 -0.04 1.69 1.57 1a9xH1 LYS 7802 HD3 -0.01 0.00 -0.02 -0.04 1.68 1.61 1a9xH1 LYS 7802 HE2 -0.03 0.00 -0.04 -0.04 2.99 2.88 1a9xH1 LYS 7802 HE3 -0.04 0.03 -0.04 -0.04 2.99 2.89 1a9xH1 ASN 7803 H -0.02 0.58 -0.12 -0.55 8.53 8.43 1a9xH1 ASN 7803 HA 0.00 -0.02 0.29 -0.75 4.76 4.28 1a9xH1 ASN 7803 HB2 -0.00 0.07 -0.17 -0.04 2.88 2.74 1a9xH1 ASN 7803 HB3 -0.00 0.12 0.26 -0.04 2.79 3.13 1a9xH1 ASN 7803 HD21 0.01 -0.07 0.02 -0.04 7.03 6.95 1a9xH1 ASN 7803 HD22 0.00 0.02 0.07 -0.04 7.74 7.79 1a9xH1 VAL 7804 H 0.02 0.19 0.05 -0.55 8.24 7.95 1a9xH1 VAL 7804 HA 0.02 0.18 0.79 -0.75 4.13 4.36 1a9xH1 VAL 7804 HB 0.02 0.04 -0.01 -0.04 2.12 2.13 1a9xH1 VAL 7804 HG13 0.01 0.05 -0.23 -0.04 0.97 0.76 1a9xH1 VAL 7804 HG23 0.02 -0.04 -0.08 -0.04 0.95 0.81 1a9xH1 VAL 7805 H 0.03 0.17 0.13 -0.55 8.24 8.01 1a9xH1 VAL 7805 HA 0.05 0.27 1.07 -0.75 4.13 4.77 1a9xH1 VAL 7805 HB 0.02 -0.01 0.01 -0.04 2.12 2.10 1a9xH1 VAL 7805 HG13 0.01 -0.01 -0.18 -0.04 0.97 0.76 1a9xH1 VAL 7805 HG23 0.02 0.01 -0.16 -0.04 0.95 0.79 1a9xH1 MET 7806 H 0.06 0.50 0.34 -0.55 8.47 8.82 1a9xH1 MET 7806 HA 0.03 0.23 1.02 -0.75 4.52 5.05 1a9xH1 MET 7806 HB2 0.06 -0.06 -0.29 -0.04 2.15 1.82 1a9xH1 MET 7806 HB3 0.03 0.04 -0.14 -0.04 2.03 1.92 1a9xH1 MET 7806 HG2 0.06 0.04 -0.34 -0.04 2.63 2.34 1a9xH1 MET 7806 HG3 0.11 0.13 -0.05 -0.04 2.56 2.72 1a9xH1 MET 7806 HE3 -0.04 -0.02 -0.18 -0.04 2.10 1.83 1a9xH1 ILE 7807 H 0.03 0.15 0.10 -0.55 8.25 7.98 1a9xH1 ILE 7807 HA -0.01 0.16 0.46 -0.75 4.18 4.03 1a9xH1 ILE 7807 HB 0.02 -0.07 0.08 -0.04 1.89 1.88 1a9xH1 ILE 7807 HG12 0.01 -0.04 -0.06 -0.04 1.49 1.36 1a9xH1 ILE 7807 HG13 0.01 0.03 -0.03 -0.04 1.21 1.17 1a9xH1 ILE 7807 HG23 -0.00 0.05 -0.17 -0.04 0.93 0.77 1a9xH1 ILE 7807 HD13 -0.02 0.04 -0.26 -0.04 0.88 0.59 1a9xH1 THR 7808 H 0.03 0.55 0.06 -0.55 8.28 8.37 1a9xH1 THR 7808 HA 0.08 0.21 1.01 -0.75 4.39 4.93 1a9xH1 THR 7808 HB 0.16 -0.00 -0.08 -0.04 4.32 4.36 1a9xH1 THR 7808 HG23 0.17 0.02 -0.41 -0.04 1.22 0.96 1a9xH1 ALA 7809 H 0.10 0.23 0.14 -0.55 8.40 8.32 1a9xH1 ALA 7809 HA 0.09 0.09 0.80 -0.75 4.34 4.57 1a9xH1 ALA 7809 HB3 0.09 0.06 0.17 -0.04 1.41 1.68 1a9xH1 GLN 7810 H 0.09 0.60 0.37 -0.55 8.47 8.99 1a9xH1 GLN 7810 HA 0.07 0.16 1.13 -0.75 4.36 4.97 1a9xH1 GLN 7810 HB2 -0.00 -0.13 -0.18 -0.04 2.15 1.80 1a9xH1 GLN 7810 HB3 0.07 0.09 -0.06 -0.04 2.02 2.08 1a9xH1 GLN 7810 HG2 -0.05 -0.03 -0.59 -0.04 2.40 1.69 1a9xH1 GLN 7810 HG3 -0.46 -0.06 -0.18 -0.04 2.39 1.65 1a9xH1 GLN 7810 HE21 -0.30 -0.04 -0.14 -0.04 6.97 6.44 1a9xH1 GLN 7810 HE22 -0.10 -0.00 -0.26 -0.04 7.69 7.29 1a9xH1 ASN 7811 H 0.11 0.23 0.03 -0.55 8.53 8.35 1a9xH1 ASN 7811 HA 0.08 0.18 0.88 -0.75 4.76 5.14 1a9xH1 ASN 7811 HB2 0.10 -0.00 -0.02 -0.04 2.88 2.91 1a9xH1 ASN 7811 HB3 -0.03 -0.03 0.06 -0.04 2.79 2.75 1a9xH1 ASN 7811 HD21 -1.59 0.02 -0.26 -0.04 7.03 5.16 1a9xH1 ASN 7811 HD22 -0.46 -0.03 -0.07 -0.04 7.74 7.14 1a9xH1 HIS 7812 H -0.44 0.47 0.21 -0.55 8.41 8.11 1a9xH1 HIS 7812 HA -0.02 0.09 0.55 -0.75 4.63 4.51 1a9xH1 HIS 7812 HB2 -0.05 0.02 0.23 -0.04 3.26 3.42 1a9xH1 HIS 7812 HB3 -0.09 0.23 0.08 -0.04 3.20 3.38 1a9xH1 HIS 7812 HD2 -0.13 -0.15 -0.08 -0.04 6.97 6.56 1a9xH1 HIS 7812 HE1 -0.46 -0.05 -0.10 -0.04 7.75 7.09 1a9xH1 GLY 7813 H 0.11 0.23 0.19 -0.55 8.43 8.41 1a9xH1 GLY 7813 HA2 -0.23 0.07 0.78 -0.51 4.01 4.12 1a9xH1 GLY 7813 HA3 -0.14 0.10 0.27 -0.51 4.01 3.73 1a9xH1 PHE 7814 H 0.21 0.14 0.15 -0.55 8.34 8.29 1a9xH1 PHE 7814 HA -0.04 0.19 1.18 -0.75 4.62 5.19 1a9xH1 PHE 7814 HB2 -0.03 0.01 0.08 -0.04 3.15 3.17 1a9xH1 PHE 7814 HB3 -0.05 0.05 0.00 -0.04 3.06 3.02 1a9xH1 PHE 7814 HD2 -0.03 -0.01 -0.19 -0.04 7.28 7.01 1a9xH1 PHE 7814 HE2 -0.01 -0.01 -0.16 -0.04 7.38 7.16 1a9xH1 PHE 7814 HZ -0.00 -0.02 -0.31 -0.04 7.32 6.95 1a9xH1 ALA 7815 H 0.08 0.91 0.40 -0.55 8.40 9.24 1a9xH1 ALA 7815 HA 0.01 0.16 0.80 -0.75 4.34 4.56 1a9xH1 ALA 7815 HB3 -0.04 0.00 -0.08 -0.04 1.41 1.26 1a9xH1 VAL 7816 H 0.02 0.19 0.12 -0.55 8.24 8.02 1a9xH1 VAL 7816 HA -0.04 0.14 0.74 -0.75 4.13 4.22 1a9xH1 VAL 7816 HB 0.01 -0.09 0.04 -0.04 2.12 2.04 1a9xH1 VAL 7816 HG13 -0.09 0.04 -0.29 -0.04 0.97 0.59 1a9xH1 VAL 7816 HG23 -0.23 0.01 -0.15 -0.04 0.95 0.54 1a9xH1 ASP 7817 H -0.03 0.66 0.24 -0.55 8.40 8.72 1a9xH1 ASP 7817 HA -0.01 -0.00 0.51 -0.75 4.63 4.37 1a9xH1 ASP 7817 HB2 -0.02 0.04 -0.05 -0.04 2.71 2.65 1a9xH1 ASP 7817 HB3 -0.02 0.00 0.06 -0.04 2.70 2.70 1a9xH1 GLU 7818 H -0.00 0.13 0.23 -0.55 8.60 8.41 1a9xH1 GLU 7818 HA -0.00 0.13 0.40 -0.75 4.29 4.06 1a9xH1 GLU 7818 HB2 0.01 -0.03 0.18 -0.04 2.09 2.21 1a9xH1 GLU 7818 HB3 0.01 -0.00 0.09 -0.04 1.99 2.05 1a9xH1 GLU 7818 HG2 0.01 0.05 0.02 -0.04 2.34 2.37 1a9xH1 GLU 7818 HG3 0.01 0.01 0.11 -0.04 2.34 2.43 1a9xH1 ALA 7819 H -0.01 -0.01 -0.21 -0.55 8.40 7.62 1a9xH1 ALA 7819 HA -0.00 0.17 0.49 -0.75 4.34 4.24 1a9xH1 ALA 7819 HB3 -0.01 0.00 0.05 -0.04 1.41 1.42 1a9xH1 THR 7820 H -0.02 0.33 -0.50 -0.55 8.28 7.54 1a9xH1 THR 7820 HA -0.02 0.19 0.76 -0.75 4.39 4.56 1a9xH1 THR 7820 HB -0.03 0.08 0.18 -0.04 4.32 4.52 1a9xH1 THR 7820 HG23 -0.02 -0.04 -0.14 -0.04 1.22 0.98 1a9xH1 LEU 7821 H -0.01 0.18 -0.39 -0.55 8.37 7.59 1a9xH1 LEU 7821 HA -0.03 0.09 0.68 -0.75 4.35 4.34 1a9xH1 LEU 7821 HB2 -0.01 0.37 0.22 -0.04 1.64 2.18 1a9xH1 LEU 7821 HB3 -0.00 0.08 0.06 -0.04 1.64 1.73 1a9xH1 LEU 7821 HG -0.01 0.06 -0.02 -0.04 1.64 1.62 1a9xH1 LEU 7821 HD13 -0.03 -0.04 -0.12 -0.04 0.93 0.70 1a9xH1 LEU 7821 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 1a9xH1 PRO 7822 HA -0.01 0.06 0.36 -0.51 4.44 4.33 1a9xH1 PRO 7822 HB2 -0.01 -0.24 0.02 -0.04 2.28 2.01 1a9xH1 PRO 7822 HB3 -0.02 0.10 0.15 -0.04 2.02 2.21 1a9xH1 PRO 7822 HG2 -0.02 -0.07 -0.09 -0.04 2.03 1.80 1a9xH1 PRO 7822 HG3 -0.03 0.31 -0.33 -0.04 2.03 1.93 1a9xH1 PRO 7822 HD2 -0.03 -0.00 0.10 -0.04 3.68 3.71 1a9xH1 PRO 7822 HD3 -0.04 0.28 -0.03 -0.04 3.65 3.82 1a9xH1 ALA 7823 H -0.01 0.13 0.17 -0.55 8.40 8.14 1a9xH1 ALA 7823 HA 0.00 0.43 1.08 -0.75 4.34 5.09 1a9xH1 ALA 7823 HB3 -0.00 0.01 0.11 -0.04 1.41 1.48 1a9xH1 ASN 7824 H 0.00 0.13 -0.19 -0.55 8.53 7.92 1a9xH1 ASN 7824 HA 0.01 0.10 0.53 -0.75 4.76 4.65 1a9xH1 ASN 7824 HB2 0.02 -0.07 0.22 -0.04 2.88 3.00 1a9xH1 ASN 7824 HB3 0.01 0.02 0.10 -0.04 2.79 2.88 1a9xH1 ASN 7824 HD21 -0.01 0.19 0.05 -0.04 7.03 7.23 1a9xH1 ASN 7824 HD22 0.00 -0.00 0.05 -0.04 7.74 7.75 1a9xH1 LEU 7825 H 0.01 0.21 -1.28 -0.55 8.37 6.77 1a9xH1 LEU 7825 HA 0.05 0.16 0.90 -0.75 4.35 4.70 1a9xH1 LEU 7825 HB2 -0.00 0.10 -0.12 -0.04 1.64 1.58 1a9xH1 LEU 7825 HB3 0.01 -0.03 -0.08 -0.04 1.64 1.49 1a9xH1 LEU 7825 HG -0.01 0.01 -0.25 -0.04 1.64 1.35 1a9xH1 LEU 7825 HD13 -0.04 -0.00 -0.12 -0.04 0.93 0.72 1a9xH1 LEU 7825 HD23 0.04 0.04 -0.10 -0.04 0.89 0.82 1a9xH1 ARG 7826 H 0.07 0.63 0.17 -0.55 8.46 8.78 1a9xH1 ARG 7826 HA 0.03 0.21 0.83 -0.75 4.34 4.65 1a9xH1 ARG 7826 HB2 0.01 -0.02 0.12 -0.04 1.90 1.97 1a9xH1 ARG 7826 HB3 0.01 0.03 0.05 -0.04 1.80 1.85 1a9xH1 ARG 7826 HG2 0.07 0.27 0.07 -0.04 1.67 2.03 1a9xH1 ARG 7826 HG3 0.06 -0.12 -0.31 -0.04 1.67 1.25 1a9xH1 ARG 7826 HD2 -0.03 -0.01 -0.05 -0.04 3.22 3.10 1a9xH1 ARG 7826 HD3 -0.03 0.02 -0.03 -0.04 3.22 3.14 1a9xH1 VAL 7827 H 0.02 0.17 0.22 -0.55 8.24 8.10 1a9xH1 VAL 7827 HA 0.06 0.15 0.76 -0.75 4.13 4.35 1a9xH1 VAL 7827 HB 0.01 0.01 0.20 -0.04 2.12 2.31 1a9xH1 VAL 7827 HG13 0.03 -0.02 -0.12 -0.04 0.97 0.82 1a9xH1 VAL 7827 HG23 0.02 0.03 0.08 -0.04 0.95 1.04 1a9xH1 THR 7828 H 0.09 0.62 0.33 -0.55 8.28 8.78 1a9xH1 THR 7828 HA -0.07 0.26 1.10 -0.75 4.39 4.92 1a9xH1 THR 7828 HB -0.30 -0.07 -0.11 -0.04 4.32 3.79 1a9xH1 THR 7828 HG23 0.07 0.02 -0.16 -0.04 1.22 1.12 1a9xH1 HIS 7829 H 0.12 0.28 0.35 -0.55 8.41 8.62 1a9xH1 HIS 7829 HA 0.07 0.38 1.00 -0.75 4.63 5.32 1a9xH1 HIS 7829 HB2 0.08 -0.13 -0.20 -0.04 3.26 2.98 1a9xH1 HIS 7829 HB3 0.12 0.02 -0.17 -0.04 3.20 3.13 1a9xH1 HIS 7829 HD2 0.15 0.02 -0.35 -0.04 6.97 6.75 1a9xH1 HIS 7829 HE1 0.12 0.05 -0.11 -0.04 7.75 7.76 1a9xH1 LYS 7830 H 0.12 0.51 0.30 -0.55 8.42 8.79 1a9xH1 LYS 7830 HA 0.05 0.13 0.89 -0.75 4.32 4.64 1a9xH1 LYS 7830 HB2 0.06 -0.03 -0.04 -0.04 1.87 1.82 1a9xH1 LYS 7830 HB3 0.05 0.18 -0.07 -0.04 1.79 1.91 1a9xH1 LYS 7830 HG2 0.05 0.05 -0.14 -0.04 1.46 1.37 1a9xH1 LYS 7830 HG3 0.05 -0.17 -0.54 -0.04 1.46 0.75 1a9xH1 LYS 7830 HD2 0.03 0.02 -0.07 -0.04 1.69 1.62 1a9xH1 LYS 7830 HD3 0.03 -0.01 -0.11 -0.04 1.68 1.55 1a9xH1 LYS 7830 HE2 0.04 -0.04 -0.07 -0.04 2.99 2.88 1a9xH1 LYS 7830 HE3 0.04 0.18 -0.03 -0.04 2.99 3.13 1a9xH1 SER 7831 H 0.08 0.76 0.11 -0.55 8.46 8.86 1a9xH1 SER 7831 HA 0.11 0.14 0.61 -0.75 4.49 4.59 1a9xH1 SER 7831 HB2 0.21 0.10 0.05 -0.04 3.95 4.27 1a9xH1 SER 7831 HB3 0.21 0.10 0.14 -0.04 3.93 4.34 1a9xH1 LEU 7832 H 0.03 0.65 0.29 -0.55 8.37 8.79 1a9xH1 LEU 7832 HA 0.07 0.12 0.45 -0.75 4.35 4.24 1a9xH1 LEU 7832 HB2 -0.02 -0.01 -0.05 -0.04 1.64 1.51 1a9xH1 LEU 7832 HB3 0.04 0.03 0.05 -0.04 1.64 1.71 1a9xH1 LEU 7832 HG 0.04 0.04 -0.01 -0.04 1.64 1.67 1a9xH1 LEU 7832 HD13 0.05 0.01 -0.14 -0.04 0.93 0.80 1a9xH1 LEU 7832 HD23 0.02 -0.01 -0.18 -0.04 0.89 0.68 1a9xH1 PHE 7833 H 0.12 -0.07 -0.47 -0.55 8.34 7.37 1a9xH1 PHE 7833 HA -0.08 0.22 0.73 -0.75 4.62 4.73 1a9xH1 PHE 7833 HB2 -0.46 -0.09 0.05 -0.04 3.15 2.60 1a9xH1 PHE 7833 HB3 -0.14 0.05 -0.12 -0.04 3.06 2.81 1a9xH1 PHE 7833 HD2 -0.43 0.04 -0.05 -0.04 7.28 6.80 1a9xH1 PHE 7833 HE2 -0.12 -0.03 -0.04 -0.04 7.38 7.15 1a9xH1 PHE 7833 HZ -0.08 0.01 -0.04 -0.04 7.32 7.18 1a9xH1 ASP 7834 H 0.23 -0.06 -0.02 -0.55 8.40 8.00 1a9xH1 ASP 7834 HA 0.10 0.31 0.72 -0.75 4.63 5.00 1a9xH1 ASP 7834 HB2 0.08 0.04 0.17 -0.04 2.71 2.96 1a9xH1 ASP 7834 HB3 0.13 0.12 -0.16 -0.04 2.70 2.74 1a9xH1 GLY 7835 H 0.12 0.43 0.11 -0.55 8.43 8.54 1a9xH1 GLY 7835 HA2 0.07 0.06 0.33 -0.51 4.01 3.96 1a9xH1 GLY 7835 HA3 0.06 0.13 0.47 -0.51 4.01 4.15 1a9xH1 THR 7836 H 0.13 -0.08 -0.49 -0.55 8.28 7.29 1a9xH1 THR 7836 HA 0.04 0.13 0.48 -0.75 4.39 4.28 1a9xH1 THR 7836 HB 0.01 0.05 0.06 -0.04 4.32 4.40 1a9xH1 THR 7836 HG23 0.01 0.03 -0.04 -0.04 1.22 1.18 1a9xH1 LEU 7837 H 0.02 0.13 0.23 -0.55 8.37 8.19 1a9xH1 LEU 7837 HA 0.03 0.09 0.60 -0.75 4.35 4.32 1a9xH1 LEU 7837 HB2 0.02 0.01 0.22 -0.04 1.64 1.84 1a9xH1 LEU 7837 HB3 0.04 -0.05 0.15 -0.04 1.64 1.74 1a9xH1 LEU 7837 HG 0.11 -0.07 -0.14 -0.04 1.64 1.50 1a9xH1 LEU 7837 HD13 0.05 0.02 0.19 -0.04 0.93 1.14 1a9xH1 LEU 7837 HD23 0.02 0.00 -0.16 -0.04 0.89 0.71 1a9xH1 GLN 7838 H 0.02 0.60 0.50 -0.55 8.47 9.04 1a9xH1 GLN 7838 HA -0.38 0.17 1.02 -0.75 4.36 4.42 1a9xH1 GLN 7838 HB2 -0.03 -0.02 -0.48 -0.04 2.15 1.57 1a9xH1 GLN 7838 HB3 -0.42 -0.05 -0.13 -0.04 2.02 1.39 1a9xH1 GLN 7838 HG2 -0.08 0.09 -0.42 -0.04 2.40 1.95 1a9xH1 GLN 7838 HG3 -0.08 -0.05 -0.28 -0.04 2.39 1.94 1a9xH1 GLN 7838 HE21 -0.13 0.02 -0.16 -0.04 6.97 6.66 1a9xH1 GLN 7838 HE22 0.02 0.01 -0.14 -0.04 7.69 7.55 1a9xH1 GLY 7839 H 0.10 0.35 0.43 -0.55 8.43 8.77 1a9xH1 GLY 7839 HA2 0.14 0.28 0.87 -0.51 4.01 4.79 1a9xH1 GLY 7839 HA3 0.42 -0.00 0.43 -0.51 4.01 4.35 1a9xH1 ILE 7840 H 0.30 0.63 0.42 -0.55 8.25 9.05 1a9xH1 ILE 7840 HA 0.16 0.19 0.92 -0.75 4.18 4.71 1a9xH1 ILE 7840 HB 0.08 0.07 -0.09 -0.04 1.89 1.90 1a9xH1 ILE 7840 HG12 0.16 -0.13 -0.07 -0.04 1.49 1.41 1a9xH1 ILE 7840 HG13 0.05 -0.02 -0.11 -0.04 1.21 1.09 1a9xH1 ILE 7840 HG23 0.06 0.04 -0.20 -0.04 0.93 0.79 1a9xH1 ILE 7840 HD13 -0.21 0.04 -0.20 -0.04 0.88 0.46 1a9xH1 HIS 7841 H 0.19 0.50 0.23 -0.55 8.41 8.78 1a9xH1 HIS 7841 HA 0.20 0.31 1.16 -0.75 4.63 5.54 1a9xH1 HIS 7841 HB2 0.11 -0.15 -0.15 -0.04 3.26 3.03 1a9xH1 HIS 7841 HB3 0.06 -0.03 0.00 -0.04 3.20 3.19 1a9xH1 HIS 7841 HD2 -0.04 -0.11 -0.08 -0.04 6.97 6.70 1a9xH1 HIS 7841 HE1 0.10 0.03 0.04 -0.04 7.75 7.87 1a9xH1 ARG 7842 H 0.21 0.84 0.41 -0.55 8.46 9.37 1a9xH1 ARG 7842 HA 0.11 0.28 0.80 -0.75 4.34 4.77 1a9xH1 ARG 7842 HB2 0.13 0.02 0.28 -0.04 1.90 2.29 1a9xH1 ARG 7842 HB3 0.09 -0.30 0.22 -0.04 1.80 1.77 1a9xH1 ARG 7842 HG2 0.05 -0.07 0.05 -0.04 1.67 1.66 1a9xH1 ARG 7842 HG3 0.04 -0.00 0.04 -0.04 1.67 1.70 1a9xH1 ARG 7842 HD2 0.03 0.42 0.06 -0.04 3.22 3.69 1a9xH1 ARG 7842 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.14 1a9xH1 THR 7843 H 0.06 0.51 0.27 -0.55 8.28 8.57 1a9xH1 THR 7843 HA 0.00 0.14 0.62 -0.75 4.39 4.39 1a9xH1 THR 7843 HB 0.00 -0.01 0.08 -0.04 4.32 4.35 1a9xH1 THR 7843 HG23 0.01 0.02 -0.07 -0.04 1.22 1.14 1a9xH1 ASP 7844 H 0.05 0.01 -0.00 -0.55 8.40 7.91 1a9xH1 ASP 7844 HA 0.03 0.18 0.81 -0.75 4.63 4.89 1a9xH1 ASP 7844 HB2 0.03 0.08 0.00 -0.04 2.71 2.78 1a9xH1 ASP 7844 HB3 0.02 -0.04 0.05 -0.04 2.70 2.69 1a9xH1 LYS 7845 H 0.09 -0.03 -0.02 -0.55 8.42 7.90 1a9xH1 LYS 7845 HA 0.06 0.29 0.91 -0.75 4.32 4.84 1a9xH1 LYS 7845 HB2 0.06 -0.14 0.01 -0.04 1.87 1.76 1a9xH1 LYS 7845 HB3 0.05 0.14 0.00 -0.04 1.79 1.94 1a9xH1 LYS 7845 HG2 0.04 0.00 -0.63 -0.04 1.46 0.83 1a9xH1 LYS 7845 HG3 0.04 -0.04 -0.08 -0.04 1.46 1.33 1a9xH1 LYS 7845 HD2 0.04 0.00 -0.05 -0.04 1.69 1.64 1a9xH1 LYS 7845 HD3 0.04 -0.01 0.02 -0.04 1.68 1.69 1a9xH1 LYS 7845 HE2 0.03 0.04 0.03 -0.04 2.99 3.05 1a9xH1 LYS 7845 HE3 0.04 0.10 -0.40 -0.04 2.99 2.68 1a9xH1 PRO 7846 HA 0.20 0.09 0.44 -0.51 4.44 4.66 1a9xH1 PRO 7846 HB2 0.05 -0.15 0.26 -0.04 2.28 2.39 1a9xH1 PRO 7846 HB3 0.05 0.00 0.13 -0.04 2.02 2.17 1a9xH1 PRO 7846 HG2 -0.01 0.17 -0.37 -0.04 2.03 1.77 1a9xH1 PRO 7846 HG3 0.04 0.05 0.02 -0.04 2.03 2.10 1a9xH1 PRO 7846 HD2 0.04 0.22 0.09 -0.04 3.68 3.99 1a9xH1 PRO 7846 HD3 0.06 0.16 0.12 -0.04 3.65 3.94 1a9xH1 ALA 7847 H 0.16 0.60 -0.19 -0.55 8.40 8.42 1a9xH1 ALA 7847 HA 0.08 0.38 1.19 -0.75 4.34 5.24 1a9xH1 ALA 7847 HB3 0.03 0.00 -0.07 -0.04 1.41 1.33 1a9xH1 PHE 7848 H 0.06 0.70 0.41 -0.55 8.34 8.96 1a9xH1 PHE 7848 HA -0.11 0.30 1.08 -0.75 4.62 5.15 1a9xH1 PHE 7848 HB2 -0.12 0.02 0.16 -0.04 3.15 3.17 1a9xH1 PHE 7848 HB3 -0.91 -0.01 -0.18 -0.04 3.06 1.92 1a9xH1 PHE 7848 HD2 -0.06 0.05 -0.05 -0.04 7.28 7.17 1a9xH1 PHE 7848 HE2 -0.33 -0.02 -0.06 -0.04 7.38 6.94 1a9xH1 PHE 7848 HZ -0.83 -0.08 0.04 -0.04 7.32 6.40 1a9xH1 SER 7849 H 0.21 0.58 0.45 -0.55 8.46 9.15 1a9xH1 SER 7849 HA -0.03 0.21 0.88 -0.75 4.49 4.80 1a9xH1 SER 7849 HB2 0.03 -0.05 -0.03 -0.04 3.95 3.86 1a9xH1 SER 7849 HB3 -0.09 0.04 -0.21 -0.04 3.93 3.63 1a9xH1 PHE 7850 H 0.06 0.63 0.41 -0.55 8.34 8.89 1a9xH1 PHE 7850 HA -0.19 0.21 1.11 -0.75 4.62 4.99 1a9xH1 PHE 7850 HB2 0.01 -0.00 -0.03 -0.04 3.15 3.08 1a9xH1 PHE 7850 HB3 -0.12 0.04 0.16 -0.04 3.06 3.10 1a9xH1 PHE 7850 HD2 -0.26 0.13 -0.14 -0.04 7.28 6.96 1a9xH1 PHE 7850 HE2 -0.37 -0.04 -0.19 -0.04 7.38 6.73 1a9xH1 PHE 7850 HZ -0.15 -0.01 -0.16 -0.04 7.32 6.97 1a9xH1 GLN 7851 H -1.08 0.83 0.33 -0.55 8.47 8.01 1a9xH1 GLN 7851 HA -0.69 0.01 0.55 -0.75 4.36 3.47 1a9xH1 GLN 7851 HB2 -1.02 -0.02 0.07 -0.04 2.15 1.14 1a9xH1 GLN 7851 HB3 -0.78 -0.06 0.22 -0.04 2.02 1.36 1a9xH1 GLN 7851 HG2 -0.54 0.09 0.09 -0.04 2.40 2.00 1a9xH1 GLN 7851 HG3 -1.27 -0.06 -0.04 -0.04 2.39 0.98 1a9xH1 GLN 7851 HE21 -0.24 0.01 0.13 -0.04 6.97 6.84 1a9xH1 GLN 7851 HE22 -0.57 0.04 0.33 -0.04 7.69 7.45 1a9xH1 GLY 7852 H -1.41 0.01 -0.08 -0.55 8.43 6.39 1a9xH1 GLY 7852 HA2 -0.13 0.08 0.63 -0.51 4.01 4.07 1a9xH1 GLY 7852 HA3 -0.08 -0.03 0.27 -0.51 4.01 3.66 1a9xH1 ASN 7853 H 0.12 0.63 0.19 -0.55 8.53 8.93 1a9xH1 ASN 7853 HA 0.08 0.26 0.97 -0.75 4.76 5.32 1a9xH1 ASN 7853 HB2 0.08 -0.01 0.11 -0.04 2.88 3.02 1a9xH1 ASN 7853 HB3 0.07 -0.04 0.02 -0.04 2.79 2.80 1a9xH1 ASN 7853 HD21 0.00 0.03 -0.02 -0.04 7.03 7.00 1a9xH1 ASN 7853 HD22 0.03 0.00 -0.02 -0.04 7.74 7.71 1a9xH1 PRO 7854 HA -0.01 -0.01 0.24 -0.51 4.44 4.15 1a9xH1 PRO 7854 HB2 -0.19 0.04 -0.17 -0.04 2.28 1.92 1a9xH1 PRO 7854 HB3 -0.29 0.22 -0.03 -0.04 2.02 1.88 1a9xH1 PRO 7854 HG2 -0.22 0.05 -0.02 -0.04 2.03 1.79 1a9xH1 PRO 7854 HG3 -0.23 0.03 -0.03 -0.04 2.03 1.75 1a9xH1 PRO 7854 HD2 0.05 0.13 0.22 -0.04 3.68 4.04 1a9xH1 PRO 7854 HD3 0.39 0.21 -0.40 -0.04 3.65 3.81 1a9xH1 GLU 7855 H 0.16 0.07 -0.42 -0.55 8.60 7.86 1a9xH1 GLU 7855 HA 0.22 0.13 0.43 -0.75 4.29 4.31 1a9xH1 GLU 7855 HB2 0.07 0.04 -0.25 -0.04 2.09 1.90 1a9xH1 GLU 7855 HB3 0.34 -0.03 -0.09 -0.04 1.99 2.17 1a9xH1 GLU 7855 HG2 0.06 0.39 -0.45 -0.04 2.34 2.30 1a9xH1 GLU 7855 HG3 0.06 -0.18 -0.18 -0.04 2.34 2.00 1a9xH1 ALA 7856 H 0.10 0.30 -0.49 -0.55 8.40 7.77 1a9xH1 ALA 7856 HA 0.09 0.03 0.15 -0.75 4.34 3.85 1a9xH1 ALA 7856 HB3 0.11 0.01 -0.31 -0.04 1.41 1.19 1a9xH1 SER 7857 H 0.08 0.06 -0.18 -0.55 8.46 7.87 1a9xH1 SER 7857 HA 0.01 -0.12 0.35 -0.75 4.49 3.98 1a9xH1 SER 7857 HB2 0.01 0.09 -0.12 -0.04 3.95 3.88 1a9xH1 SER 7857 HB3 0.02 0.17 0.26 -0.04 3.93 4.34 1a9xH1 PRO 7858 HA 0.02 0.04 0.37 -0.51 4.44 4.35 1a9xH1 PRO 7858 HB2 0.01 0.01 -0.10 -0.04 2.28 2.16 1a9xH1 PRO 7858 HB3 -0.03 -0.10 0.08 -0.04 2.02 1.93 1a9xH1 PRO 7858 HG2 0.06 -0.01 -0.05 -0.04 2.03 1.99 1a9xH1 PRO 7858 HG3 0.03 0.25 0.14 -0.04 2.03 2.41 1a9xH1 PRO 7858 HD2 0.08 0.09 0.04 -0.04 3.68 3.85 1a9xH1 PRO 7858 HD3 0.05 0.11 0.13 -0.04 3.65 3.90 1a9xH1 GLY 7859 H 0.05 0.11 0.09 -0.55 8.43 8.13 1a9xH1 GLY 7859 HA2 0.05 -0.00 0.32 -0.51 4.01 3.87 1a9xH1 GLY 7859 HA3 0.08 0.28 1.03 -0.51 4.01 4.89 1a9xH1 PRO 7860 HA -0.00 0.03 0.41 -0.51 4.44 4.37 1a9xH1 PRO 7860 HB2 0.05 0.00 0.03 -0.04 2.28 2.32 1a9xH1 PRO 7860 HB3 0.02 0.03 0.11 -0.04 2.02 2.13 1a9xH1 PRO 7860 HG2 0.05 0.02 -0.56 -0.04 2.03 1.50 1a9xH1 PRO 7860 HG3 0.04 0.17 -0.01 -0.04 2.03 2.18 1a9xH1 PRO 7860 HD2 0.08 0.03 -0.01 -0.04 3.68 3.74 1a9xH1 PRO 7860 HD3 0.06 0.18 0.23 -0.04 3.65 4.07 1a9xH1 HIS 7861 H 0.03 0.13 0.17 -0.55 8.41 8.19 1a9xH1 HIS 7861 HA 0.05 0.27 0.68 -0.75 4.63 4.88 1a9xH1 HIS 7861 HB2 0.04 -0.01 0.08 -0.04 3.26 3.33 1a9xH1 HIS 7861 HB3 0.05 0.04 0.17 -0.04 3.20 3.41 1a9xH1 HIS 7861 HD2 0.04 0.15 -0.28 -0.04 6.97 6.84 1a9xH1 HIS 7861 HE1 0.09 -0.01 -0.01 -0.04 7.75 7.78 1a9xH1 ASP 7862 H 0.09 0.08 -0.29 -0.55 8.40 7.73 1a9xH1 ASP 7862 HA 0.06 0.08 0.38 -0.75 4.63 4.39 1a9xH1 ASP 7862 HB2 0.04 0.42 0.12 -0.04 2.71 3.25 1a9xH1 ASP 7862 HB3 0.03 -0.01 0.10 -0.04 2.70 2.78 1a9xH1 ALA 7863 H 0.03 0.17 -0.26 -0.55 8.40 7.80 1a9xH1 ALA 7863 HA -0.12 0.21 0.86 -0.75 4.34 4.53 1a9xH1 ALA 7863 HB3 -0.31 -0.01 -0.00 -0.04 1.41 1.05 1a9xH1 ALA 7864 H 0.06 0.43 -0.28 -0.55 8.40 8.06 1a9xH1 ALA 7864 HA 0.25 0.08 0.36 -0.75 4.34 4.28 1a9xH1 ALA 7864 HB3 0.09 0.02 0.06 -0.04 1.41 1.54 1a9xH1 PRO 7865 HA 0.09 0.10 0.51 -0.51 4.44 4.63 1a9xH1 PRO 7865 HB2 0.01 0.03 -0.03 -0.04 2.28 2.25 1a9xH1 PRO 7865 HB3 0.04 0.05 0.08 -0.04 2.02 2.14 1a9xH1 PRO 7865 HG2 0.02 0.07 0.01 -0.04 2.03 2.09 1a9xH1 PRO 7865 HG3 0.04 0.04 0.00 -0.04 2.03 2.07 1a9xH1 PRO 7865 HD2 -0.01 0.11 -0.24 -0.04 3.68 3.50 1a9xH1 PRO 7865 HD3 0.05 0.12 -0.07 -0.04 3.65 3.70 1a9xH1 LEU 7866 H -0.05 0.46 -0.46 -0.55 8.37 7.77 1a9xH1 LEU 7866 HA -0.01 0.03 0.33 -0.75 4.35 3.94 1a9xH1 LEU 7866 HB2 -0.24 0.38 0.13 -0.04 1.64 1.86 1a9xH1 LEU 7866 HB3 -0.16 -0.01 -0.14 -0.04 1.64 1.29 1a9xH1 LEU 7866 HG -0.05 -0.01 -0.02 -0.04 1.64 1.52 1a9xH1 LEU 7866 HD13 -0.41 -0.00 -0.02 -0.04 0.93 0.46 1a9xH1 LEU 7866 HD23 -0.85 -0.01 -0.04 -0.04 0.89 -0.06 1a9xH1 PHE 7867 H 0.15 0.41 -0.31 -0.55 8.34 8.04 1a9xH1 PHE 7867 HA 0.08 0.03 0.31 -0.75 4.62 4.29 1a9xH1 PHE 7867 HB2 0.06 0.17 0.02 -0.04 3.15 3.36 1a9xH1 PHE 7867 HB3 0.11 0.03 -0.13 -0.04 3.06 3.03 1a9xH1 PHE 7867 HD2 0.14 0.12 -0.03 -0.04 7.28 7.47 1a9xH1 PHE 7867 HE2 -0.08 0.00 -0.28 -0.04 7.38 6.98 1a9xH1 PHE 7867 HZ -0.04 -0.11 -0.09 -0.04 7.32 7.04 1a9xH1 ASP 7868 H 0.16 0.21 -0.43 -0.55 8.40 7.79 1a9xH1 ASP 7868 HA 0.10 0.08 0.42 -0.75 4.63 4.48 1a9xH1 ASP 7868 HB2 0.06 0.13 0.15 -0.04 2.71 3.01 1a9xH1 ASP 7868 HB3 0.05 -0.01 0.06 -0.04 2.70 2.76 1a9xH1 HIS 7869 H 0.09 0.35 -0.28 -0.55 8.41 8.02 1a9xH1 HIS 7869 HA -0.13 0.04 0.37 -0.75 4.63 4.15 1a9xH1 HIS 7869 HB2 -0.25 -0.03 0.07 -0.04 3.26 3.01 1a9xH1 HIS 7869 HB3 -0.53 0.20 0.09 -0.04 3.20 2.92 1a9xH1 HIS 7869 HD2 -2.56 -0.01 -0.10 -0.04 6.97 4.25 1a9xH1 HIS 7869 HE1 -0.09 0.03 -0.05 -0.04 7.75 7.59 1a9xH1 PHE 7870 H 0.19 0.32 -0.21 -0.55 8.34 8.09 1a9xH1 PHE 7870 HA 0.05 0.07 0.39 -0.75 4.62 4.38 1a9xH1 PHE 7870 HB2 -0.35 -0.02 0.06 -0.04 3.15 2.81 1a9xH1 PHE 7870 HB3 0.01 0.23 0.08 -0.04 3.06 3.33 1a9xH1 PHE 7870 HD2 0.23 0.01 -0.08 -0.04 7.28 7.40 1a9xH1 PHE 7870 HE2 0.11 0.02 -0.22 -0.04 7.38 7.25 1a9xH1 PHE 7870 HZ 0.12 -0.05 -0.42 -0.04 7.32 6.92 1a9xH1 ILE 7871 H 0.01 0.33 -0.46 -0.55 8.25 7.58 1a9xH1 ILE 7871 HA -0.44 0.05 0.46 -0.75 4.18 3.50 1a9xH1 ILE 7871 HB -0.03 0.18 0.13 -0.04 1.89 2.13 1a9xH1 ILE 7871 HG12 0.02 0.06 -0.00 -0.04 1.49 1.53 1a9xH1 ILE 7871 HG13 0.06 -0.03 -0.04 -0.04 1.21 1.16 1a9xH1 ILE 7871 HG23 -0.15 -0.00 -0.04 -0.04 0.93 0.70 1a9xH1 ILE 7871 HD13 -0.12 0.02 -0.13 -0.04 0.88 0.60 1a9xH1 GLU 7872 H -0.08 0.32 -0.16 -0.55 8.60 8.12 1a9xH1 GLU 7872 HA -0.07 0.04 0.44 -0.75 4.29 3.95 1a9xH1 GLU 7872 HB2 -0.01 0.13 0.19 -0.04 2.09 2.36 1a9xH1 GLU 7872 HB3 -0.00 -0.04 0.01 -0.04 1.99 1.92 1a9xH1 GLU 7872 HG2 0.01 -0.04 0.02 -0.04 2.34 2.29 1a9xH1 GLU 7872 HG3 0.00 0.09 0.03 -0.04 2.34 2.42 1a9xH1 LEU 7873 H -0.19 0.44 -0.26 -0.55 8.37 7.82 1a9xH1 LEU 7873 HA -0.05 0.04 0.51 -0.75 4.35 4.09 1a9xH1 LEU 7873 HB2 -0.03 0.13 0.19 -0.04 1.64 1.89 1a9xH1 LEU 7873 HB3 -0.02 0.01 0.10 -0.04 1.64 1.69 1a9xH1 LEU 7873 HG -0.58 0.27 0.09 -0.04 1.64 1.38 1a9xH1 LEU 7873 HD13 -0.24 -0.02 -0.07 -0.04 0.93 0.56 1a9xH1 LEU 7873 HD23 -0.04 -0.02 -0.03 -0.04 0.89 0.77 1a9xH1 ILE 7874 H -0.24 0.55 -0.03 -0.55 8.25 7.97 1a9xH1 ILE 7874 HA -0.08 0.17 0.50 -0.75 4.18 4.01 1a9xH1 ILE 7874 HB -0.62 0.01 0.12 -0.04 1.89 1.37 1a9xH1 ILE 7874 HG12 -0.29 0.19 -0.02 -0.04 1.49 1.33 1a9xH1 ILE 7874 HG13 -0.59 0.20 0.10 -0.04 1.21 0.88 1a9xH1 ILE 7874 HG23 -0.37 0.02 -0.10 -0.04 0.93 0.44 1a9xH1 ILE 7874 HD13 -0.81 -0.06 -0.22 -0.04 0.88 -0.25 1a9xH1 GLU 7875 H -0.22 0.57 -0.32 -0.55 8.60 8.09 1a9xH1 GLU 7875 HA -0.11 0.05 0.45 -0.75 4.29 3.93 1a9xH1 GLU 7875 HB2 -0.09 0.10 0.15 -0.04 2.09 2.21 1a9xH1 GLU 7875 HB3 -0.01 -0.07 0.00 -0.04 1.99 1.87 1a9xH1 GLU 7875 HG2 0.11 -0.04 0.04 -0.04 2.34 2.41 1a9xH1 GLU 7875 HG3 -0.31 0.01 0.00 -0.04 2.34 2.01 1a9xH1 GLN 7876 H -0.04 0.34 -0.42 -0.55 8.47 7.80 1a9xH1 GLN 7876 HA 0.01 0.04 0.69 -0.75 4.36 4.34 1a9xH1 GLN 7876 HB2 0.01 -0.10 0.12 -0.04 2.15 2.13 1a9xH1 GLN 7876 HB3 -0.01 0.28 0.33 -0.04 2.02 2.58 1a9xH1 GLN 7876 HG2 0.04 0.09 0.04 -0.04 2.40 2.53 1a9xH1 GLN 7876 HG3 0.05 -0.04 -0.43 -0.04 2.39 1.94 1a9xH1 GLN 7876 HE21 0.03 -0.05 -0.03 -0.04 6.97 6.88 1a9xH1 GLN 7876 HE22 0.03 0.02 0.01 -0.04 7.69 7.71 1a9xH1 TYR 7877 H 0.11 0.61 0.03 -0.55 8.29 8.49 1a9xH1 TYR 7877 HA -0.00 0.00 0.52 -0.75 4.56 4.32 1a9xH1 TYR 7877 HB2 -0.01 0.03 0.19 -0.04 3.06 3.23 1a9xH1 TYR 7877 HB3 -0.04 0.14 0.26 -0.04 2.98 3.30 1a9xH1 TYR 7877 HD2 -0.00 0.07 0.08 -0.04 7.15 7.26 1a9xH1 TYR 7877 HE2 0.02 0.07 -0.02 -0.04 6.85 6.88 1a9xH1 ARG 7878 H 0.03 0.39 -0.20 -0.55 8.46 8.12 1a9xH1 ARG 7878 HA -0.14 0.07 0.44 -0.75 4.34 3.96 1a9xH1 ARG 7878 HB2 0.01 0.08 0.16 -0.04 1.90 2.11 1a9xH1 ARG 7878 HB3 0.03 -0.05 -0.04 -0.04 1.80 1.70 1a9xH1 ARG 7878 HG2 0.07 -0.03 0.10 -0.04 1.67 1.77 1a9xH1 ARG 7878 HG3 0.05 0.17 0.12 -0.04 1.67 1.97 1a9xH1 ARG 7878 HD2 0.49 -0.05 -0.03 -0.04 3.22 3.59 1a9xH1 ARG 7878 HD3 0.25 -0.03 -0.01 -0.04 3.22 3.39 1a9xH1 LYS 7879 H -0.01 0.23 -0.49 -0.55 8.42 7.60 1a9xH1 LYS 7879 HA -0.01 -0.04 0.36 -0.75 4.32 3.88 1a9xH1 LYS 7879 HB2 0.00 0.18 0.23 -0.04 1.87 2.24 1a9xH1 LYS 7879 HB3 -0.00 -0.02 -0.04 -0.04 1.79 1.69 1a9xH1 LYS 7879 HG2 0.00 -0.08 0.06 -0.04 1.46 1.39 1a9xH1 LYS 7879 HG3 0.01 -0.03 0.10 -0.04 1.46 1.50 1a9xH1 LYS 7879 HD2 0.01 -0.08 0.03 -0.04 1.69 1.61 1a9xH1 LYS 7879 HD3 0.01 0.07 0.11 -0.04 1.68 1.83 1a9xH1 LYS 7879 HE2 0.01 0.04 0.02 -0.04 2.99 3.02 1a9xH1 LYS 7879 HE3 0.01 -0.08 0.02 -0.04 2.99 2.89 1a9xH1 THR 7880 H -0.07 0.19 -0.76 -0.55 8.28 7.09 1a9xH1 THR 7880 HA -0.04 0.07 0.51 -0.75 4.39 4.18 1a9xH1 THR 7880 HB -0.04 0.11 0.08 -0.04 4.32 4.42 1a9xH1 THR 7880 HG23 -0.01 -0.03 0.04 -0.04 1.22 1.17