============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TRP 4 1.040 14.907 6.386 -29.669 -99.200 -91.000 TRP6 4 1.020 13.493 8.264 -29.423 -99.200 -91.000 HIS 6 0.900 20.185 8.853 -21.524 -99.200 -91.000 PHE 24 1.000 -2.362 11.462 -12.178 -99.200 -91.000 PHE 35 1.000 9.120 10.283 -11.614 -99.200 -91.000 HIS 50 0.900 0.940 4.788 -0.184 -99.200 -91.000 PHE 56 1.000 -6.788 3.923 -4.801 -99.200 -91.000 PHE 116 1.000 2.191 -4.284 -9.841 -99.200 -91.000 TYR 122 0.840 1.009 -5.662 -21.456 -99.200 -91.000 PHE 140 1.000 -0.234 4.007 -22.622 -99.200 -91.000 PHE 152 1.000 4.602 -3.442 -12.854 -99.200 -91.000 PHE 200 1.000 -32.949 -2.148 -24.233 -99.200 -91.000 HIS 223 0.900 -40.342 6.567 -24.910 -99.200 -91.000 TYR 230 0.840 -25.157 -0.133 -7.231 -99.200 -91.000 PHE 241 1.000 -35.701 5.142 -20.490 -99.200 -91.000 PHE 244 1.000 -32.117 4.274 -13.555 -99.200 -91.000 PHE 251 1.000 -29.683 0.182 -1.677 -99.200 -91.000 TYR 271 0.840 -24.762 -8.782 -16.444 -99.200 -91.000 TYR 276 0.840 -27.874 -8.095 -9.434 -99.200 -91.000 TRP 281 1.040 -29.553 -10.889 -13.117 -99.200 -91.000 TRP6 281 1.020 -30.139 -11.305 -15.371 -99.200 -91.000 HIS 290 0.900 -23.302 -11.159 -23.369 -99.200 -91.000 TYR 297 0.840 -15.913 -12.523 -19.724 -99.200 -91.000 TYR 302 0.840 -25.249 -13.593 -18.976 -99.200 -91.000 HIS 325 0.900 -44.645 -0.978 -31.938 -99.200 -91.000 HIS 342 0.900 -45.903 5.295 -1.844 -99.200 -91.000 PHE 356 1.000 -23.629 18.383 15.797 -99.200 -91.000 HIS 359 0.900 -31.489 10.271 9.531 -99.200 -91.000 PHE 384 1.000 -18.599 6.827 2.876 -99.200 -91.000 HIS 385 0.900 -20.425 2.854 -2.092 -99.200 -91.000 TRP 387 1.040 -26.985 6.067 5.316 -99.200 -91.000 TRP6 387 1.020 -29.282 6.351 5.817 -99.200 -91.000 TYR 391 0.840 -32.206 8.661 0.021 -99.200 -91.000 TYR 393 0.840 -34.161 8.339 -5.528 -99.200 -91.000 PHE 395 1.000 -26.280 12.485 -4.338 -99.200 -91.000 TRP 415 1.040 -11.425 6.572 -7.861 -99.200 -91.000 TRP6 415 1.020 -13.291 5.401 -7.000 -99.200 -91.000 TRP 420 1.040 -9.765 20.542 -10.702 -99.200 -91.000 TRP6 420 1.020 -7.477 21.117 -10.847 -99.200 -91.000 PHE 437 1.000 -9.419 13.210 5.529 -99.200 -91.000 HIS 456 0.900 -12.598 13.759 1.108 -99.200 -91.000 TRP 459 1.040 -21.174 11.444 4.932 -99.200 -91.000 TRP6 459 1.020 -23.304 10.418 4.991 -99.200 -91.000 TYR 464 0.840 -11.443 1.263 10.444 -99.200 -91.000 TYR 475 0.840 -19.432 -12.384 13.982 -99.200 -91.000 PHE 483 1.000 -11.587 5.503 13.415 -99.200 -91.000 PHE 488 1.000 -11.471 13.896 10.741 -99.200 -91.000 TYR 491 0.840 -5.345 15.340 8.595 -99.200 -91.000 PHE 495 1.000 -2.608 17.688 4.725 -99.200 -91.000 PHE 500 1.000 -15.093 25.795 5.042 -99.200 -91.000 TYR 530 0.840 -22.592 6.248 9.669 -99.200 -91.000 HIS 541 0.900 -30.335 -8.133 -3.602 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ozhA1 VAL 7 HA 0.10 -0.12 0.04 -0.75 4.13 3.39 1ozhA1 VAL 7 HB 0.10 -0.08 -0.24 -0.04 2.12 1.86 1ozhA1 VAL 7 HG13 0.05 -0.01 -0.01 -0.04 0.97 0.96 1ozhA1 VAL 7 HG23 0.02 -0.00 -0.15 -0.04 0.95 0.78 1ozhA1 ARG 8 H 0.16 0.31 0.06 -0.55 8.46 8.43 1ozhA1 ARG 8 HA -0.17 0.20 0.90 -0.75 4.34 4.51 1ozhA1 GLN 9 H -0.33 0.17 0.16 -0.55 8.47 7.92 1ozhA1 GLN 9 HA -0.06 0.13 0.84 -0.75 4.36 4.51 1ozhA1 GLN 9 HB2 -0.11 0.01 0.08 -0.04 2.15 2.09 1ozhA1 GLN 9 HB3 -0.16 -0.02 0.13 -0.04 2.02 1.93 1ozhA1 GLN 9 HG2 -0.05 -0.02 -0.05 -0.04 2.40 2.24 1ozhA1 GLN 9 HG3 -0.04 0.03 -0.16 -0.04 2.39 2.19 1ozhA1 GLN 9 HE21 -0.00 -0.01 -0.07 -0.04 6.97 6.85 1ozhA1 GLN 9 HE22 -0.03 0.01 -0.05 -0.04 7.69 7.57 1ozhA1 TRP 10 H 0.22 0.78 0.36 -0.55 7.97 8.79 1ozhA1 TRP 10 HA -0.02 0.17 1.04 -0.75 4.62 5.05 1ozhA1 TRP 10 HB2 -0.01 -0.04 0.03 -0.04 3.23 3.16 1ozhA1 TRP 10 HB3 0.00 -0.02 -0.03 -0.04 3.23 3.14 1ozhA1 TRP 10 HD1 -0.01 0.07 -0.07 -0.04 7.22 7.17 1ozhA1 TRP 10 HE1 -0.01 0.66 0.13 -0.04 10.20 10.94 1ozhA1 TRP 10 HE3 0.01 -0.07 -0.11 -0.04 7.59 7.38 1ozhA1 TRP 10 HZ2 -0.01 -0.06 -0.02 -0.04 7.44 7.31 1ozhA1 TRP 10 HZ3 0.00 0.06 -0.15 -0.04 7.13 7.00 1ozhA1 TRP 10 HH2 -0.01 0.03 -0.05 -0.04 7.19 7.12 1ozhA1 ALA 11 H 0.07 0.19 0.16 -0.55 8.40 8.27 1ozhA1 ALA 11 HA -0.10 0.08 0.47 -0.75 4.34 4.04 1ozhA1 ALA 11 HB3 -0.21 0.01 0.09 -0.04 1.41 1.26 1ozhA1 HIS 12 H 0.17 0.04 -0.14 -0.55 8.41 7.93 1ozhA1 HIS 12 HA 0.06 0.43 0.46 -0.75 4.63 4.83 1ozhA1 HIS 12 HB2 0.08 -0.18 0.05 -0.04 3.26 3.17 1ozhA1 HIS 12 HB3 0.04 0.10 0.05 -0.04 3.20 3.34 1ozhA1 HIS 12 HD2 0.07 -0.03 -0.06 -0.04 6.97 6.90 1ozhA1 HIS 12 HE1 0.03 -0.03 0.01 -0.04 7.75 7.72 1ozhA1 GLY 13 H 0.09 0.68 -0.05 -0.55 8.43 8.61 1ozhA1 GLY 13 HA2 -0.07 -0.04 0.34 -0.51 4.01 3.74 1ozhA1 GLY 13 HA3 -0.02 0.24 0.37 -0.51 4.01 4.09 1ozhA1 ALA 14 H 0.06 0.61 -0.22 -0.55 8.40 8.31 1ozhA1 ALA 14 HA -0.05 -0.01 0.28 -0.75 4.34 3.81 1ozhA1 ALA 14 HB3 0.00 0.01 -0.16 -0.04 1.41 1.22 1ozhA1 ASP 15 H 0.10 0.33 -0.30 -0.55 8.40 7.98 1ozhA1 ASP 15 HA 0.05 0.09 0.40 -0.75 4.63 4.42 1ozhA1 ASP 15 HB2 0.41 0.06 0.10 -0.04 2.71 3.23 1ozhA1 ASP 15 HB3 0.43 0.04 0.01 -0.04 2.70 3.14 1ozhA1 LEU 16 H -0.37 0.32 -0.24 -0.55 8.37 7.53 1ozhA1 LEU 16 HA -1.67 0.04 0.34 -0.75 4.35 2.31 1ozhA1 LEU 16 HB2 -1.48 -0.00 -0.00 -0.04 1.64 0.11 1ozhA1 LEU 16 HB3 -0.52 0.20 0.11 -0.04 1.64 1.38 1ozhA1 LEU 16 HG -0.43 -0.04 -0.31 -0.04 1.64 0.82 1ozhA1 LEU 16 HD13 -0.83 0.02 -0.22 -0.04 0.93 -0.14 1ozhA1 LEU 16 HD23 -0.34 -0.01 -0.17 -0.04 0.89 0.32 1ozhA1 VAL 17 H -0.24 0.53 -0.17 -0.55 8.24 7.81 1ozhA1 VAL 17 HA -0.16 -0.00 0.27 -0.75 4.13 3.48 1ozhA1 VAL 17 HB -0.10 0.15 0.09 -0.04 2.12 2.22 1ozhA1 VAL 17 HG13 -0.07 -0.01 -0.21 -0.04 0.97 0.64 1ozhA1 VAL 17 HG23 -0.10 0.03 -0.12 -0.04 0.95 0.72 1ozhA1 VAL 18 H -0.12 0.54 -0.21 -0.55 8.24 7.91 1ozhA1 VAL 18 HA -0.07 0.03 0.34 -0.75 4.13 3.67 1ozhA1 VAL 18 HB -0.03 0.09 0.07 -0.04 2.12 2.20 1ozhA1 VAL 18 HG13 -0.02 0.02 -0.21 -0.04 0.97 0.72 1ozhA1 VAL 18 HG23 -0.05 0.02 -0.18 -0.04 0.95 0.70 1ozhA1 SER 19 H -0.15 0.53 -0.20 -0.55 8.46 8.09 1ozhA1 SER 19 HA -0.01 0.03 0.39 -0.75 4.49 4.14 1ozhA1 SER 19 HB2 -0.25 0.09 0.13 -0.04 3.95 3.88 1ozhA1 SER 19 HB3 0.06 -0.06 0.01 -0.04 3.93 3.90 1ozhA1 GLN 20 H -0.18 0.58 -0.22 -0.55 8.47 8.11 1ozhA1 GLN 20 HA -0.12 -0.01 0.40 -0.75 4.36 3.88 1ozhA1 GLN 20 HB2 -0.16 -0.02 0.07 -0.04 2.15 2.00 1ozhA1 GLN 20 HB3 -0.12 0.14 0.07 -0.04 2.02 2.07 1ozhA1 GLN 20 HG2 -0.07 -0.04 0.02 -0.04 2.40 2.27 1ozhA1 GLN 20 HG3 -0.13 0.04 -0.16 -0.04 2.39 2.10 1ozhA1 GLN 20 HE21 -0.09 0.67 0.13 -0.04 6.97 7.64 1ozhA1 GLN 20 HE22 -0.17 -0.02 0.01 -0.04 7.69 7.47 1ozhA1 LEU 21 H -0.11 0.45 -0.28 -0.55 8.37 7.89 1ozhA1 LEU 21 HA -0.22 0.03 0.38 -0.75 4.35 3.78 1ozhA1 LEU 21 HB2 -0.07 0.18 0.15 -0.04 1.64 1.86 1ozhA1 LEU 21 HB3 -0.05 -0.02 -0.06 -0.04 1.64 1.47 1ozhA1 LEU 21 HG -0.04 0.22 -0.04 -0.04 1.64 1.74 1ozhA1 LEU 21 HD13 -0.04 -0.03 -0.15 -0.04 0.93 0.68 1ozhA1 LEU 21 HD23 0.14 -0.02 -0.10 -0.04 0.89 0.87 1ozhA1 GLU 22 H -0.08 0.53 -0.08 -0.55 8.60 8.42 1ozhA1 GLU 22 HA -0.07 0.09 0.43 -0.75 4.29 3.99 1ozhA1 GLU 22 HB2 -0.03 0.08 0.16 -0.04 2.09 2.25 1ozhA1 GLU 22 HB3 -0.03 -0.02 0.03 -0.04 1.99 1.93 1ozhA1 GLU 22 HG2 -0.03 0.02 0.02 -0.04 2.34 2.30 1ozhA1 GLU 22 HG3 -0.04 0.16 0.04 -0.04 2.34 2.47 1ozhA1 ALA 23 H -0.10 0.53 -0.21 -0.55 8.40 8.08 1ozhA1 ALA 23 HA -0.06 -0.00 0.37 -0.75 4.34 3.89 1ozhA1 ALA 23 HB3 -0.09 -0.00 0.06 -0.04 1.41 1.34 1ozhA1 GLN 24 H -0.22 0.29 -0.60 -0.55 8.47 7.38 1ozhA1 GLN 24 HA -0.23 0.02 0.59 -0.75 4.36 3.99 1ozhA1 GLN 24 HB2 -0.53 0.15 0.13 -0.04 2.15 1.86 1ozhA1 GLN 24 HB3 -0.61 -0.05 0.07 -0.04 2.02 1.39 1ozhA1 GLN 24 HG2 -0.52 0.25 0.04 -0.04 2.40 2.13 1ozhA1 GLN 24 HG3 -1.80 -0.09 -0.03 -0.04 2.39 0.43 1ozhA1 GLN 24 HE21 -0.15 -0.06 0.02 -0.04 6.97 6.74 1ozhA1 GLN 24 HE22 -0.29 -0.03 -0.02 -0.04 7.69 7.31 1ozhA1 GLY 25 H -0.11 0.38 -0.28 -0.55 8.43 7.87 1ozhA1 GLY 25 HA2 -0.05 0.03 0.28 -0.51 4.01 3.75 1ozhA1 GLY 25 HA3 -0.05 0.08 0.56 -0.51 4.01 4.09 1ozhA1 VAL 26 H -0.09 0.27 -0.09 -0.55 8.24 7.78 1ozhA1 VAL 26 HA 0.01 0.07 0.36 -0.75 4.13 3.81 1ozhA1 VAL 26 HB -0.04 -0.09 -0.10 -0.04 2.12 1.86 1ozhA1 VAL 26 HG13 0.01 -0.04 -0.18 -0.04 0.97 0.72 1ozhA1 VAL 26 HG23 0.03 0.04 -0.03 -0.04 0.95 0.96 1ozhA1 ARG 27 H -0.01 0.12 0.23 -0.55 8.46 8.24 1ozhA1 ARG 27 HA -0.04 0.16 0.76 -0.75 4.34 4.47 1ozhA1 ARG 27 HB2 -0.03 -0.01 0.13 -0.04 1.90 1.95 1ozhA1 ARG 27 HB3 -0.04 -0.00 0.08 -0.04 1.80 1.80 1ozhA1 ARG 27 HG2 -0.03 -0.02 -0.01 -0.04 1.67 1.57 1ozhA1 ARG 27 HG3 -0.02 0.14 0.06 -0.04 1.67 1.81 1ozhA1 ARG 27 HD2 -0.03 0.03 0.06 -0.04 3.22 3.24 1ozhA1 ARG 27 HD3 -0.04 -0.01 0.05 -0.04 3.22 3.18 1ozhA1 GLN 28 H -0.08 0.16 0.15 -0.55 8.47 8.15 1ozhA1 GLN 28 HA -0.14 0.21 0.65 -0.75 4.36 4.33 1ozhA1 GLN 28 HB2 -0.31 0.05 0.04 -0.04 2.15 1.89 1ozhA1 GLN 28 HB3 -0.15 0.08 -0.16 -0.04 2.02 1.75 1ozhA1 GLN 28 HG2 -0.66 -0.07 -0.29 -0.04 2.40 1.34 1ozhA1 GLN 28 HG3 -0.48 0.01 -0.15 -0.04 2.39 1.73 1ozhA1 GLN 28 HE21 0.06 0.09 0.01 -0.04 6.97 7.08 1ozhA1 GLN 28 HE22 0.04 -0.08 0.03 -0.04 7.69 7.64 1ozhA1 VAL 29 H -0.24 0.65 0.28 -0.55 8.24 8.38 1ozhA1 VAL 29 HA -0.15 0.23 0.89 -0.75 4.13 4.34 1ozhA1 VAL 29 HB -0.18 -0.01 -0.04 -0.04 2.12 1.86 1ozhA1 VAL 29 HG13 -0.15 -0.03 -0.35 -0.04 0.97 0.39 1ozhA1 VAL 29 HG23 -0.10 -0.01 -0.30 -0.04 0.95 0.51 1ozhA1 PHE 30 H 0.13 0.76 0.40 -0.55 8.34 9.09 1ozhA1 PHE 30 HA 0.08 0.39 1.05 -0.75 4.62 5.38 1ozhA1 PHE 30 HB2 0.07 -0.04 0.16 -0.04 3.15 3.30 1ozhA1 PHE 30 HB3 0.09 -0.10 0.10 -0.04 3.06 3.10 1ozhA1 PHE 30 HD2 0.08 0.07 -0.03 -0.04 7.28 7.36 1ozhA1 PHE 30 HE2 0.10 0.02 -0.12 -0.04 7.38 7.34 1ozhA1 PHE 30 HZ 0.09 0.11 -0.10 -0.04 7.32 7.37 1ozhA1 GLY 31 H 0.24 0.54 0.33 -0.55 8.43 9.00 1ozhA1 GLY 31 HA2 0.19 -0.11 0.35 -0.51 4.01 3.93 1ozhA1 GLY 31 HA3 0.26 0.39 0.63 -0.51 4.01 4.78 1ozhA1 ILE 32 H 0.22 0.33 0.27 -0.55 8.25 8.51 1ozhA1 ILE 32 HA 0.02 0.25 0.84 -0.75 4.18 4.53 1ozhA1 ILE 32 HB 0.02 -0.15 0.11 -0.04 1.89 1.82 1ozhA1 ILE 32 HG12 0.04 0.35 -0.05 -0.04 1.49 1.79 1ozhA1 ILE 32 HG13 0.07 -0.20 -0.54 -0.04 1.21 0.50 1ozhA1 ILE 32 HG23 -0.05 0.05 -0.07 -0.04 0.93 0.82 1ozhA1 ILE 32 HD13 -0.02 -0.07 -0.35 -0.04 0.88 0.40 1ozhA1 PRO 33 HA -0.60 0.01 0.43 -0.51 4.44 3.76 1ozhA1 PRO 33 HB2 -0.55 -0.01 -0.05 -0.04 2.28 1.63 1ozhA1 PRO 33 HB3 -2.05 0.07 -0.01 -0.04 2.02 -0.01 1ozhA1 PRO 33 HG2 -0.29 0.00 0.01 -0.04 2.03 1.71 1ozhA1 PRO 33 HG3 -0.40 0.12 0.00 -0.04 2.03 1.71 1ozhA1 PRO 33 HD2 -0.19 0.13 0.21 -0.04 3.68 3.79 1ozhA1 PRO 33 HD3 -0.46 0.21 0.03 -0.04 3.65 3.39 1ozhA1 GLY 34 H -0.13 0.24 0.16 -0.55 8.43 8.16 1ozhA1 GLY 34 HA2 -0.07 0.24 0.58 -0.51 4.01 4.25 1ozhA1 GLY 34 HA3 -0.03 -0.04 0.33 -0.51 4.01 3.76 1ozhA1 ALA 35 H -0.02 0.23 0.16 -0.55 8.40 8.22 1ozhA1 ALA 35 HA -0.02 0.15 0.39 -0.75 4.34 4.11 1ozhA1 ALA 35 HB3 -0.01 0.03 0.12 -0.04 1.41 1.52 1ozhA1 LYS 36 H 0.01 0.05 -0.03 -0.55 8.42 7.90 1ozhA1 LYS 36 HA 0.02 0.13 0.43 -0.75 4.32 4.14 1ozhA1 LYS 36 HB2 0.02 -0.21 0.08 -0.04 1.87 1.73 1ozhA1 LYS 36 HB3 0.02 0.04 0.04 -0.04 1.79 1.85 1ozhA1 LYS 36 HG2 0.02 -0.07 -0.22 -0.04 1.46 1.15 1ozhA1 LYS 36 HG3 0.02 0.06 0.01 -0.04 1.46 1.50 1ozhA1 LYS 36 HD2 0.01 0.00 -0.02 -0.04 1.69 1.64 1ozhA1 LYS 36 HD3 0.01 -0.04 0.04 -0.04 1.68 1.65 1ozhA1 LYS 36 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.95 1ozhA1 LYS 36 HE3 0.01 -0.03 0.03 -0.04 2.99 2.96 1ozhA1 ILE 37 H 0.04 0.11 -0.37 -0.55 8.25 7.48 1ozhA1 ILE 37 HA 0.06 0.27 1.00 -0.75 4.18 4.75 1ozhA1 ILE 37 HB 0.08 -0.13 -0.02 -0.04 1.89 1.79 1ozhA1 ILE 37 HG12 0.13 0.19 -0.12 -0.04 1.49 1.65 1ozhA1 ILE 37 HG13 0.17 -0.10 0.03 -0.04 1.21 1.27 1ozhA1 ILE 37 HG23 0.21 -0.01 -0.33 -0.04 0.93 0.77 1ozhA1 ILE 37 HD13 0.02 0.01 -0.07 -0.04 0.88 0.80 1ozhA1 ASP 38 H 0.03 0.41 0.01 -0.55 8.40 8.30 1ozhA1 ASP 38 HA 0.16 0.01 0.27 -0.75 4.63 4.32 1ozhA1 ASP 38 HB2 -0.01 0.03 0.06 -0.04 2.71 2.75 1ozhA1 ASP 38 HB3 -0.05 0.01 0.02 -0.04 2.70 2.63 1ozhA1 LYS 39 H 0.04 0.13 -0.46 -0.55 8.42 7.57 1ozhA1 LYS 39 HA -0.02 0.12 0.41 -0.75 4.32 4.07 1ozhA1 LYS 39 HB2 -0.04 0.02 0.01 -0.04 1.87 1.83 1ozhA1 LYS 39 HB3 -0.01 -0.01 -0.09 -0.04 1.79 1.63 1ozhA1 LYS 39 HG2 -0.13 0.11 -0.05 -0.04 1.46 1.35 1ozhA1 LYS 39 HG3 -0.09 -0.06 -0.16 -0.04 1.46 1.11 1ozhA1 LYS 39 HD2 -0.13 -0.03 0.06 -0.04 1.69 1.56 1ozhA1 LYS 39 HD3 -0.27 0.04 0.01 -0.04 1.68 1.42 1ozhA1 LYS 39 HE2 -0.45 0.05 -0.02 -0.04 2.99 2.53 1ozhA1 LYS 39 HE3 -0.92 0.02 -0.02 -0.04 2.99 2.02 1ozhA1 VAL 40 H 0.05 0.30 -0.15 -0.55 8.24 7.90 1ozhA1 VAL 40 HA -0.03 0.06 0.35 -0.75 4.13 3.76 1ozhA1 VAL 40 HB -0.02 0.08 0.02 -0.04 2.12 2.15 1ozhA1 VAL 40 HG13 -0.13 0.03 -0.18 -0.04 0.97 0.65 1ozhA1 VAL 40 HG23 -0.02 -0.02 -0.02 -0.04 0.95 0.84 1ozhA1 PHE 41 H 0.27 0.17 -0.28 -0.55 8.34 7.94 1ozhA1 PHE 41 HA -0.01 0.10 0.25 -0.75 4.62 4.21 1ozhA1 PHE 41 HB2 -0.01 -0.02 0.07 -0.04 3.15 3.15 1ozhA1 PHE 41 HB3 -0.00 0.06 -0.12 -0.04 3.06 2.96 1ozhA1 PHE 41 HD2 0.00 0.05 -0.18 -0.04 7.28 7.12 1ozhA1 PHE 41 HE2 0.01 0.02 -0.36 -0.04 7.38 7.01 1ozhA1 PHE 41 HZ 0.03 0.04 -0.48 -0.04 7.32 6.87 1ozhA1 ASP 42 H 0.12 0.48 -0.25 -0.55 8.40 8.20 1ozhA1 ASP 42 HA 0.06 0.05 0.38 -0.75 4.63 4.37 1ozhA1 ASP 42 HB2 0.02 0.00 0.10 -0.04 2.71 2.79 1ozhA1 ASP 42 HB3 -0.01 0.07 0.17 -0.04 2.70 2.89 1ozhA1 SER 43 H 0.01 0.63 -0.11 -0.55 8.46 8.44 1ozhA1 SER 43 HA 0.02 -0.00 0.33 -0.75 4.49 4.09 1ozhA1 SER 43 HB2 -0.01 0.10 -0.04 -0.04 3.95 3.96 1ozhA1 SER 43 HB3 0.02 -0.04 -0.09 -0.04 3.93 3.78 1ozhA1 LEU 44 H -0.01 0.40 -0.52 -0.55 8.37 7.69 1ozhA1 LEU 44 HA -0.03 -0.02 0.36 -0.75 4.35 3.91 1ozhA1 LEU 44 HB2 -0.06 0.16 0.04 -0.04 1.64 1.75 1ozhA1 LEU 44 HB3 -0.06 0.08 -0.06 -0.04 1.64 1.56 1ozhA1 LEU 44 HG -0.11 0.07 -0.09 -0.04 1.64 1.47 1ozhA1 LEU 44 HD13 -0.29 -0.04 -0.21 -0.04 0.93 0.35 1ozhA1 LEU 44 HD23 -0.08 -0.01 -0.13 -0.04 0.89 0.63 1ozhA1 LEU 45 H 0.02 0.44 -0.48 -0.55 8.37 7.81 1ozhA1 LEU 45 HA 0.02 0.08 0.47 -0.75 4.35 4.17 1ozhA1 LEU 45 HB2 0.03 0.21 0.17 -0.04 1.64 2.01 1ozhA1 LEU 45 HB3 0.02 -0.08 0.04 -0.04 1.64 1.58 1ozhA1 LEU 45 HG 0.05 0.11 0.11 -0.04 1.64 1.87 1ozhA1 LEU 45 HD13 0.03 -0.05 0.03 -0.04 0.93 0.90 1ozhA1 LEU 45 HD23 0.04 -0.01 0.02 -0.04 0.89 0.90 1ozhA1 ASP 46 H 0.02 0.30 -0.28 -0.55 8.40 7.88 1ozhA1 ASP 46 HA 0.02 0.14 0.67 -0.75 4.63 4.70 1ozhA1 ASP 46 HB2 0.04 0.05 0.08 -0.04 2.71 2.84 1ozhA1 ASP 46 HB3 0.03 -0.06 0.18 -0.04 2.70 2.81 1ozhA1 SER 47 H 0.01 0.44 -0.70 -0.55 8.46 7.66 1ozhA1 SER 47 HA 0.01 0.12 0.91 -0.75 4.49 4.78 1ozhA1 SER 47 HB2 -0.00 -0.03 -0.07 -0.04 3.95 3.80 1ozhA1 SER 47 HB3 -0.02 0.18 0.07 -0.04 3.93 4.13 1ozhA1 SER 48 H -0.01 0.09 0.12 -0.55 8.46 8.11 1ozhA1 SER 48 HA -0.01 0.12 0.49 -0.75 4.49 4.34 1ozhA1 SER 48 HB2 -0.01 0.04 0.09 -0.04 3.95 4.02 1ozhA1 SER 48 HB3 -0.01 -0.04 0.08 -0.04 3.93 3.92 1ozhA1 ILE 49 H -0.03 -0.12 -0.28 -0.55 8.25 7.28 1ozhA1 ILE 49 HA -0.05 0.21 0.35 -0.75 4.18 3.94 1ozhA1 ILE 49 HB -0.05 -0.07 -0.08 -0.04 1.89 1.65 1ozhA1 ILE 49 HG12 -0.05 0.41 -0.14 -0.04 1.49 1.68 1ozhA1 ILE 49 HG13 -0.04 -0.18 -0.03 -0.04 1.21 0.93 1ozhA1 ILE 49 HG23 -0.08 -0.00 -0.52 -0.04 0.93 0.29 1ozhA1 ILE 49 HD13 -0.05 -0.05 -0.17 -0.04 0.88 0.57 1ozhA1 ARG 50 H -0.06 0.65 0.33 -0.55 8.46 8.83 1ozhA1 ARG 50 HA -0.03 0.09 0.58 -0.75 4.34 4.23 1ozhA1 ARG 50 HB2 -0.03 0.08 0.16 -0.04 1.90 2.07 1ozhA1 ARG 50 HB3 -0.07 -0.02 0.21 -0.04 1.80 1.87 1ozhA1 ARG 50 HG2 -0.02 -0.00 -0.34 -0.04 1.67 1.27 1ozhA1 ARG 50 HG3 0.00 -0.02 0.04 -0.04 1.67 1.65 1ozhA1 ARG 50 HD2 0.00 0.03 0.01 -0.04 3.22 3.22 1ozhA1 ARG 50 HD3 -0.00 -0.05 -0.07 -0.04 3.22 3.06 1ozhA1 ILE 51 H -0.01 0.19 0.16 -0.55 8.25 8.05 1ozhA1 ILE 51 HA -0.07 0.07 0.71 -0.75 4.18 4.14 1ozhA1 ILE 51 HB 0.06 0.01 0.13 -0.04 1.89 2.04 1ozhA1 ILE 51 HG12 -0.07 -0.06 -0.12 -0.04 1.49 1.19 1ozhA1 ILE 51 HG13 -0.01 0.18 -0.11 -0.04 1.21 1.23 1ozhA1 ILE 51 HG23 0.18 -0.03 -0.24 -0.04 0.93 0.80 1ozhA1 ILE 51 HD13 0.10 -0.02 -0.09 -0.04 0.88 0.84 1ozhA1 ILE 52 H -0.05 0.67 0.26 -0.55 8.25 8.58 1ozhA1 ILE 52 HA 0.07 0.28 1.06 -0.75 4.18 4.84 1ozhA1 ILE 52 HB -0.12 -0.02 0.11 -0.04 1.89 1.82 1ozhA1 ILE 52 HG12 0.04 0.09 -0.18 -0.04 1.49 1.41 1ozhA1 ILE 52 HG13 -0.11 -0.03 -0.45 -0.04 1.21 0.57 1ozhA1 ILE 52 HG23 0.25 -0.02 -0.18 -0.04 0.93 0.94 1ozhA1 ILE 52 HD13 -0.06 -0.00 -0.12 -0.04 0.88 0.65 1ozhA1 PRO 53 HA 0.17 0.27 0.67 -0.51 4.44 5.03 1ozhA1 PRO 53 HB2 0.08 -0.01 0.08 -0.04 2.28 2.39 1ozhA1 PRO 53 HB3 0.07 -0.03 0.12 -0.04 2.02 2.14 1ozhA1 PRO 53 HG2 0.07 0.03 0.05 -0.04 2.03 2.14 1ozhA1 PRO 53 HG3 0.12 -0.02 -0.04 -0.04 2.03 2.05 1ozhA1 PRO 53 HD2 0.10 0.11 0.20 -0.04 3.68 4.04 1ozhA1 PRO 53 HD3 0.09 0.42 -0.01 -0.04 3.65 4.11 1ozhA1 VAL 54 H 0.14 0.40 0.28 -0.55 8.24 8.51 1ozhA1 VAL 54 HA 0.13 0.22 0.80 -0.75 4.13 4.53 1ozhA1 VAL 54 HB 0.11 -0.19 0.04 -0.04 2.12 2.04 1ozhA1 VAL 54 HG13 0.22 0.06 -0.12 -0.04 0.97 1.09 1ozhA1 VAL 54 HG23 0.12 -0.02 -0.30 -0.04 0.95 0.70 1ozhA1 ARG 55 H 0.09 0.07 0.06 -0.55 8.46 8.13 1ozhA1 ARG 55 HA 0.06 0.28 0.84 -0.75 4.34 4.77 1ozhA1 ARG 55 HB2 0.09 -0.11 -0.14 -0.04 1.90 1.69 1ozhA1 ARG 55 HB3 0.08 0.01 0.04 -0.04 1.80 1.88 1ozhA1 ARG 55 HG2 0.08 -0.06 -0.13 -0.04 1.67 1.52 1ozhA1 ARG 55 HG3 0.10 0.13 -0.01 -0.04 1.67 1.85 1ozhA1 ARG 55 HD2 0.06 0.13 -0.32 -0.04 3.22 3.05 1ozhA1 ARG 55 HD3 0.06 0.07 -0.15 -0.04 3.22 3.16 1ozhA1 HIS 56 H 0.13 0.13 -0.03 -0.55 8.41 8.09 1ozhA1 HIS 56 HA 0.02 0.20 0.62 -0.75 4.63 4.71 1ozhA1 HIS 56 HB2 0.01 0.13 -0.09 -0.04 3.26 3.27 1ozhA1 HIS 56 HB3 0.01 -0.08 0.10 -0.04 3.20 3.19 1ozhA1 HIS 56 HD2 0.00 0.07 0.05 -0.04 6.97 7.05 1ozhA1 HIS 56 HE1 -0.03 0.09 0.09 -0.04 7.75 7.85 1ozhA1 GLU 57 H -0.21 0.25 0.04 -0.55 8.60 8.13 1ozhA1 GLU 57 HA 0.05 0.05 0.27 -0.75 4.29 3.91 1ozhA1 GLU 57 HB2 -0.05 -0.01 -0.05 -0.04 2.09 1.94 1ozhA1 GLU 57 HB3 0.03 0.06 -0.11 -0.04 1.99 1.93 1ozhA1 GLU 57 HG2 0.03 0.15 0.10 -0.04 2.34 2.57 1ozhA1 GLU 57 HG3 0.02 -0.04 0.03 -0.04 2.34 2.31 1ozhA1 ALA 58 H 0.54 0.09 -0.30 -0.55 8.40 8.19 1ozhA1 ALA 58 HA -0.16 0.08 0.49 -0.75 4.34 3.99 1ozhA1 ALA 58 HB3 -0.10 0.04 0.09 -0.04 1.41 1.39 1ozhA1 ASN 59 H 0.07 0.35 -0.23 -0.55 8.53 8.17 1ozhA1 ASN 59 HA 0.11 0.05 0.45 -0.75 4.76 4.61 1ozhA1 ASN 59 HB2 0.08 0.05 0.09 -0.04 2.88 3.07 1ozhA1 ASN 59 HB3 0.08 0.02 0.10 -0.04 2.79 2.95 1ozhA1 ASN 59 HD21 0.01 0.04 0.10 -0.04 7.03 7.14 1ozhA1 ASN 59 HD22 0.09 -0.11 0.08 -0.04 7.74 7.75 1ozhA1 ALA 60 H 0.01 0.33 -0.38 -0.55 8.40 7.82 1ozhA1 ALA 60 HA 0.01 0.10 0.41 -0.75 4.34 4.10 1ozhA1 ALA 60 HB3 0.13 0.04 -0.08 -0.04 1.41 1.46 1ozhA1 ALA 61 H -0.09 0.34 -0.17 -0.55 8.40 7.93 1ozhA1 ALA 61 HA 0.02 0.09 0.29 -0.75 4.34 3.98 1ozhA1 ALA 61 HB3 -0.14 0.04 -0.04 -0.04 1.41 1.23 1ozhA1 PHE 62 H -0.22 0.28 -0.20 -0.55 8.34 7.65 1ozhA1 PHE 62 HA 0.15 0.08 0.35 -0.75 4.62 4.44 1ozhA1 PHE 62 HB2 -0.07 0.01 0.08 -0.04 3.15 3.12 1ozhA1 PHE 62 HB3 -0.15 0.01 -0.11 -0.04 3.06 2.77 1ozhA1 PHE 62 HD2 -0.06 0.01 -0.11 -0.04 7.28 7.09 1ozhA1 PHE 62 HE2 -0.10 0.00 -0.17 -0.04 7.38 7.07 1ozhA1 PHE 62 HZ -0.12 -0.02 -0.20 -0.04 7.32 6.94 1ozhA1 MET 63 H -0.01 0.54 -0.23 -0.55 8.47 8.22 1ozhA1 MET 63 HA 0.00 0.10 0.33 -0.75 4.52 4.20 1ozhA1 MET 63 HB2 -0.85 0.06 0.13 -0.04 2.15 1.46 1ozhA1 MET 63 HB3 -1.19 0.02 -0.03 -0.04 2.03 0.79 1ozhA1 MET 63 HG2 -0.06 0.11 0.09 -0.04 2.63 2.73 1ozhA1 MET 63 HG3 -0.06 0.02 0.11 -0.04 2.56 2.59 1ozhA1 MET 63 HE3 0.07 -0.05 -0.05 -0.04 2.10 2.03 1ozhA1 ALA 64 H -0.16 0.50 -0.32 -0.55 8.40 7.88 1ozhA1 ALA 64 HA 0.14 0.01 0.38 -0.75 4.34 4.11 1ozhA1 ALA 64 HB3 0.12 0.03 -0.17 -0.04 1.41 1.35 1ozhA1 ALA 65 H 0.15 0.40 -0.40 -0.55 8.40 7.99 1ozhA1 ALA 65 HA 0.09 0.10 0.23 -0.75 4.34 4.00 1ozhA1 ALA 65 HB3 0.28 0.02 0.02 -0.04 1.41 1.69 1ozhA1 ALA 66 H 0.14 0.37 -0.28 -0.55 8.40 8.07 1ozhA1 ALA 66 HA -0.15 0.01 0.38 -0.75 4.34 3.83 1ozhA1 ALA 66 HB3 0.07 -0.01 0.07 -0.04 1.41 1.50 1ozhA1 VAL 67 H 0.08 0.39 -0.14 -0.55 8.24 8.02 1ozhA1 VAL 67 HA 0.07 0.04 0.34 -0.75 4.13 3.83 1ozhA1 VAL 67 HB 0.17 0.03 0.21 -0.04 2.12 2.49 1ozhA1 VAL 67 HG13 0.11 0.03 -0.11 -0.04 0.97 0.97 1ozhA1 VAL 67 HG23 0.28 0.02 0.03 -0.04 0.95 1.23 1ozhA1 GLY 68 H 0.06 0.49 -0.18 -0.55 8.43 8.26 1ozhA1 GLY 68 HA2 0.04 0.25 0.20 -0.51 4.01 4.00 1ozhA1 GLY 68 HA3 0.04 0.19 0.28 -0.51 4.01 4.00 1ozhA1 ARG 69 H -0.02 0.54 -0.12 -0.55 8.46 8.30 1ozhA1 ARG 69 HA -0.03 0.06 0.39 -0.75 4.34 4.01 1ozhA1 ARG 69 HB2 -0.11 -0.03 0.08 -0.04 1.90 1.81 1ozhA1 ARG 69 HB3 -0.12 0.02 0.10 -0.04 1.80 1.75 1ozhA1 ARG 69 HG2 -0.09 0.03 -0.19 -0.04 1.67 1.38 1ozhA1 ARG 69 HG3 -0.08 0.03 0.05 -0.04 1.67 1.63 1ozhA1 ARG 69 HD2 -0.23 -0.06 -0.06 -0.04 3.22 2.83 1ozhA1 ARG 69 HD3 -0.15 -0.02 -0.01 -0.04 3.22 3.00 1ozhA1 ILE 70 H -0.02 0.46 -0.23 -0.55 8.25 7.90 1ozhA1 ILE 70 HA -0.03 0.07 0.59 -0.75 4.18 4.05 1ozhA1 ILE 70 HB -0.00 0.07 0.15 -0.04 1.89 2.07 1ozhA1 ILE 70 HG12 -0.03 -0.04 -0.04 -0.04 1.49 1.33 1ozhA1 ILE 70 HG13 -0.05 -0.02 -0.02 -0.04 1.21 1.08 1ozhA1 ILE 70 HG23 -0.01 -0.01 -0.15 -0.04 0.93 0.72 1ozhA1 ILE 70 HD13 -0.00 -0.02 -0.08 -0.04 0.88 0.74 1ozhA1 THR 71 H 0.01 0.65 0.14 -0.55 8.28 8.54 1ozhA1 THR 71 HA -0.00 0.10 0.63 -0.75 4.39 4.37 1ozhA1 THR 71 HB 0.01 -0.05 0.17 -0.04 4.32 4.40 1ozhA1 THR 71 HG23 0.01 0.01 0.09 -0.04 1.22 1.29 1ozhA1 GLY 72 H 0.01 0.49 -0.28 -0.55 8.43 8.10 1ozhA1 GLY 72 HA2 0.01 0.08 0.36 -0.51 4.01 3.94 1ozhA1 GLY 72 HA3 0.01 -0.03 0.49 -0.51 4.01 3.97 1ozhA1 LYS 73 H 0.03 0.05 -0.71 -0.55 8.42 7.23 1ozhA1 LYS 73 HA 0.07 0.07 0.80 -0.75 4.32 4.50 1ozhA1 LYS 73 HB2 0.05 -0.03 -0.02 -0.04 1.87 1.83 1ozhA1 LYS 73 HB3 0.07 0.02 -0.04 -0.04 1.79 1.79 1ozhA1 LYS 73 HG2 0.02 0.09 -0.27 -0.04 1.46 1.26 1ozhA1 LYS 73 HG3 0.01 -0.00 -0.02 -0.04 1.46 1.41 1ozhA1 LYS 73 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 1ozhA1 LYS 73 HD3 0.01 -0.06 -0.03 -0.04 1.68 1.56 1ozhA1 LYS 73 HE2 -0.01 -0.02 0.03 -0.04 2.99 2.95 1ozhA1 LYS 73 HE3 0.01 0.05 0.03 -0.04 2.99 3.04 1ozhA1 ALA 74 H 0.12 0.07 0.01 -0.55 8.40 8.06 1ozhA1 ALA 74 HA 0.05 0.27 0.20 -0.75 4.34 4.10 1ozhA1 ALA 74 HB3 -0.05 -0.04 -0.14 -0.04 1.41 1.14 1ozhA1 GLY 75 H 0.07 0.42 0.31 -0.55 8.43 8.69 1ozhA1 GLY 75 HA2 0.17 0.11 0.66 -0.51 4.01 4.44 1ozhA1 GLY 75 HA3 0.17 0.05 0.49 -0.51 4.01 4.21 1ozhA1 VAL 76 H 0.22 0.22 0.23 -0.55 8.24 8.35 1ozhA1 VAL 76 HA 0.05 0.38 1.24 -0.75 4.13 5.05 1ozhA1 VAL 76 HB 0.05 0.08 0.20 -0.04 2.12 2.41 1ozhA1 VAL 76 HG13 0.03 -0.03 -0.19 -0.04 0.97 0.74 1ozhA1 VAL 76 HG23 0.18 0.03 -0.16 -0.04 0.95 0.95 1ozhA1 ALA 77 H 0.06 0.61 0.41 -0.55 8.40 8.93 1ozhA1 ALA 77 HA 0.18 0.35 1.01 -0.75 4.34 5.13 1ozhA1 ALA 77 HB3 0.10 -0.04 -0.09 -0.04 1.41 1.35 1ozhA1 LEU 78 H 0.10 0.68 0.33 -0.55 8.37 8.94 1ozhA1 LEU 78 HA 0.01 0.29 0.94 -0.75 4.35 4.84 1ozhA1 LEU 78 HB2 -0.14 0.06 -0.25 -0.04 1.64 1.27 1ozhA1 LEU 78 HB3 -0.21 -0.01 -0.10 -0.04 1.64 1.28 1ozhA1 LEU 78 HG -0.08 -0.10 -0.32 -0.04 1.64 1.10 1ozhA1 LEU 78 HD13 -0.07 0.05 -0.03 -0.04 0.93 0.84 1ozhA1 LEU 78 HD23 -0.88 -0.01 -0.26 -0.04 0.89 -0.31 1ozhA1 VAL 79 H 0.10 0.58 0.30 -0.55 8.24 8.67 1ozhA1 VAL 79 HA 0.20 0.27 0.95 -0.75 4.13 4.80 1ozhA1 VAL 79 HB 0.09 -0.09 0.10 -0.04 2.12 2.17 1ozhA1 VAL 79 HG13 0.11 -0.02 -0.21 -0.04 0.97 0.80 1ozhA1 VAL 79 HG23 0.13 0.07 -0.33 -0.04 0.95 0.77 1ozhA1 THR 80 H 0.07 0.22 0.13 -0.55 8.28 8.16 1ozhA1 THR 80 HA 0.08 0.07 0.66 -0.75 4.39 4.44 1ozhA1 THR 80 HB 0.01 0.12 -0.02 -0.04 4.32 4.38 1ozhA1 THR 80 HG23 0.01 0.10 -0.06 -0.04 1.22 1.23 1ozhA1 SER 81 H 0.04 -0.05 0.03 -0.55 8.46 7.93 1ozhA1 SER 81 HA 0.07 0.40 0.31 -0.75 4.49 4.52 1ozhA1 SER 81 HB2 0.04 -0.02 0.03 -0.04 3.95 3.95 1ozhA1 SER 81 HB3 0.04 -0.04 -0.46 -0.04 3.93 3.43 1ozhA1 GLY 82 H 0.06 0.17 0.15 -0.55 8.43 8.26 1ozhA1 GLY 82 HA2 0.04 0.06 0.37 -0.51 4.01 3.97 1ozhA1 GLY 82 HA3 0.02 0.15 0.41 -0.51 4.01 4.09 1ozhA1 PRO 83 HA 0.00 0.03 0.42 -0.51 4.44 4.38 1ozhA1 PRO 83 HB2 -0.02 0.07 0.01 -0.04 2.28 2.29 1ozhA1 PRO 83 HB3 -0.01 0.06 0.11 -0.04 2.02 2.14 1ozhA1 PRO 83 HG2 -0.01 0.05 0.07 -0.04 2.03 2.10 1ozhA1 PRO 83 HG3 -0.01 0.09 0.08 -0.04 2.03 2.15 1ozhA1 PRO 83 HD2 0.01 0.15 0.26 -0.04 3.68 4.06 1ozhA1 PRO 83 HD3 0.01 0.13 0.18 -0.04 3.65 3.93 1ozhA1 GLY 84 H 0.02 0.42 -0.49 -0.55 8.43 7.84 1ozhA1 GLY 84 HA2 0.00 0.02 0.35 -0.51 4.01 3.87 1ozhA1 GLY 84 HA3 0.04 0.03 0.14 -0.51 4.01 3.71 1ozhA1 CYS 85 H 0.08 0.20 -0.49 -0.55 8.50 7.75 1ozhA1 CYS 85 HA 0.17 0.13 0.46 -0.75 4.58 4.58 1ozhA1 CYS 85 HB2 0.13 0.02 0.07 -0.04 2.97 3.15 1ozhA1 CYS 85 HB3 0.18 -0.01 -0.12 -0.04 2.97 2.98 1ozhA1 SER 86 H 0.05 0.47 0.02 -0.55 8.46 8.46 1ozhA1 SER 86 HA -0.09 0.07 0.35 -0.75 4.49 4.07 1ozhA1 SER 86 HB2 -0.05 0.03 0.03 -0.04 3.95 3.92 1ozhA1 SER 86 HB3 -0.02 -0.01 0.03 -0.04 3.93 3.88 1ozhA1 ASN 87 H 0.01 0.43 -0.57 -0.55 8.53 7.85 1ozhA1 ASN 87 HA 0.03 0.07 0.44 -0.75 4.76 4.55 1ozhA1 ASN 87 HB2 -0.05 0.26 0.07 -0.04 2.88 3.12 1ozhA1 ASN 87 HB3 -0.08 -0.24 0.04 -0.04 2.79 2.46 1ozhA1 ASN 87 HD21 -0.20 0.02 0.01 -0.04 7.03 6.82 1ozhA1 ASN 87 HD22 -0.40 -0.11 0.03 -0.04 7.74 7.23 1ozhA1 LEU 88 H 0.05 0.57 -0.52 -0.55 8.37 7.93 1ozhA1 LEU 88 HA -0.02 0.06 0.55 -0.75 4.35 4.18 1ozhA1 LEU 88 HB2 0.29 0.25 0.03 -0.04 1.64 2.17 1ozhA1 LEU 88 HB3 0.18 -0.04 -0.09 -0.04 1.64 1.64 1ozhA1 LEU 88 HG 0.10 0.07 -0.08 -0.04 1.64 1.70 1ozhA1 LEU 88 HD13 0.17 -0.01 -0.14 -0.04 0.93 0.92 1ozhA1 LEU 88 HD23 0.06 0.02 -0.12 -0.04 0.89 0.82 1ozhA1 ILE 89 H -0.17 0.29 -0.18 -0.55 8.25 7.64 1ozhA1 ILE 89 HA -0.41 0.07 0.24 -0.75 4.18 3.33 1ozhA1 ILE 89 HB -0.23 0.03 0.08 -0.04 1.89 1.73 1ozhA1 ILE 89 HG12 -1.39 0.02 -0.08 -0.04 1.49 -0.00 1ozhA1 ILE 89 HG13 -0.48 -0.01 0.07 -0.04 1.21 0.75 1ozhA1 ILE 89 HG23 -0.29 0.02 -0.16 -0.04 0.93 0.46 1ozhA1 ILE 89 HD13 -0.36 0.01 -0.04 -0.04 0.88 0.44 1ozhA1 THR 90 H -0.11 0.15 -0.18 -0.55 8.28 7.60 1ozhA1 THR 90 HA -0.05 0.10 0.40 -0.75 4.39 4.08 1ozhA1 THR 90 HB -0.06 -0.03 0.04 -0.04 4.32 4.23 1ozhA1 THR 90 HG23 0.08 0.01 -0.15 -0.04 1.22 1.11 1ozhA1 GLY 91 H -0.21 0.12 -0.20 -0.55 8.43 7.59 1ozhA1 GLY 91 HA2 -0.30 -0.00 0.34 -0.51 4.01 3.54 1ozhA1 GLY 91 HA3 -0.49 0.07 0.30 -0.51 4.01 3.38 1ozhA1 MET 92 H -0.04 0.53 -0.19 -0.55 8.47 8.23 1ozhA1 MET 92 HA 0.08 0.04 0.40 -0.75 4.52 4.28 1ozhA1 MET 92 HB2 0.04 0.06 0.01 -0.04 2.15 2.22 1ozhA1 MET 92 HB3 0.17 0.08 -0.07 -0.04 2.03 2.16 1ozhA1 MET 92 HG2 0.16 0.04 -0.14 -0.04 2.63 2.65 1ozhA1 MET 92 HG3 0.51 -0.06 -0.19 -0.04 2.56 2.78 1ozhA1 MET 92 HE3 0.18 0.03 -0.19 -0.04 2.10 2.08 1ozhA1 ALA 93 H -0.01 0.47 -0.11 -0.55 8.40 8.21 1ozhA1 ALA 93 HA 0.03 0.23 0.57 -0.75 4.34 4.41 1ozhA1 ALA 93 HB3 -0.01 -0.00 0.11 -0.04 1.41 1.46 1ozhA1 THR 94 H 0.10 0.51 -0.16 -0.55 8.28 8.18 1ozhA1 THR 94 HA 0.12 -0.07 0.39 -0.75 4.39 4.07 1ozhA1 THR 94 HB 0.36 0.15 0.11 -0.04 4.32 4.90 1ozhA1 THR 94 HG23 0.26 -0.03 -0.12 -0.04 1.22 1.29 1ozhA1 ALA 95 H 0.16 0.51 -0.14 -0.55 8.40 8.38 1ozhA1 ALA 95 HA 0.17 -0.00 0.37 -0.75 4.34 4.13 1ozhA1 ALA 95 HB3 0.13 0.07 0.02 -0.04 1.41 1.59 1ozhA1 ASN 96 H 0.08 0.50 -0.20 -0.55 8.53 8.36 1ozhA1 ASN 96 HA 0.06 0.01 0.50 -0.75 4.76 4.58 1ozhA1 ASN 96 HB2 0.07 0.22 0.23 -0.04 2.88 3.35 1ozhA1 ASN 96 HB3 0.05 0.03 0.07 -0.04 2.79 2.90 1ozhA1 ASN 96 HD21 0.04 0.03 -0.27 -0.04 7.03 6.79 1ozhA1 ASN 96 HD22 0.03 0.00 -0.24 -0.04 7.74 7.49 1ozhA1 SER 97 H 0.06 0.55 -0.11 -0.55 8.46 8.41 1ozhA1 SER 97 HA 0.02 0.08 0.46 -0.75 4.49 4.29 1ozhA1 SER 97 HB2 0.03 -0.13 0.06 -0.04 3.95 3.87 1ozhA1 SER 97 HB3 0.03 0.03 0.10 -0.04 3.93 4.05 1ozhA1 GLU 98 H 0.08 0.40 -0.30 -0.55 8.60 8.24 1ozhA1 GLU 98 HA 0.04 -0.02 0.65 -0.75 4.29 4.21 1ozhA1 GLU 98 HB2 0.09 0.10 0.06 -0.04 2.09 2.30 1ozhA1 GLU 98 HB3 0.02 -0.00 0.06 -0.04 1.99 2.03 1ozhA1 GLU 98 HG2 0.16 0.07 0.02 -0.04 2.34 2.55 1ozhA1 GLU 98 HG3 0.18 0.07 -0.03 -0.04 2.34 2.51 1ozhA1 GLY 99 H 0.04 0.26 -0.40 -0.55 8.43 7.78 1ozhA1 GLY 99 HA2 0.02 0.43 0.22 -0.51 4.01 4.17 1ozhA1 GLY 99 HA3 0.01 -0.07 0.43 -0.51 4.01 3.87 1ozhA1 ASP 100 H 0.04 0.41 -0.08 -0.55 8.40 8.22 1ozhA1 ASP 100 HA 0.01 0.23 0.60 -0.75 4.63 4.72 1ozhA1 ASP 100 HB2 0.07 -0.17 0.05 -0.04 2.71 2.63 1ozhA1 ASP 100 HB3 0.03 0.10 -0.04 -0.04 2.70 2.75 1ozhA1 PRO 101 HA 0.01 0.37 0.52 -0.51 4.44 4.83 1ozhA1 PRO 101 HB2 0.02 -0.17 -0.18 -0.04 2.28 1.91 1ozhA1 PRO 101 HB3 0.02 0.25 -0.14 -0.04 2.02 2.10 1ozhA1 PRO 101 HG2 0.03 -0.19 -0.12 -0.04 2.03 1.71 1ozhA1 PRO 101 HG3 0.02 0.17 -0.20 -0.04 2.03 1.97 1ozhA1 PRO 101 HD2 0.01 -0.00 -0.15 -0.04 3.68 3.49 1ozhA1 PRO 101 HD3 0.01 0.31 0.08 -0.04 3.65 4.01 1ozhA1 VAL 102 H -0.01 0.48 0.29 -0.55 8.24 8.46 1ozhA1 VAL 102 HA 0.00 0.21 0.85 -0.75 4.13 4.43 1ozhA1 VAL 102 HB 0.05 -0.07 -0.00 -0.04 2.12 2.05 1ozhA1 VAL 102 HG13 0.05 -0.03 -0.31 -0.04 0.97 0.64 1ozhA1 VAL 102 HG23 0.08 0.03 -0.55 -0.04 0.95 0.46 1ozhA1 VAL 103 H -0.11 0.75 0.24 -0.55 8.24 8.57 1ozhA1 VAL 103 HA -0.17 0.23 1.05 -0.75 4.13 4.49 1ozhA1 VAL 103 HB -0.59 0.06 0.06 -0.04 2.12 1.60 1ozhA1 VAL 103 HG13 -0.38 -0.03 -0.25 -0.04 0.97 0.28 1ozhA1 VAL 103 HG23 -1.06 0.00 -0.26 -0.04 0.95 -0.41 1ozhA1 ALA 104 H -0.02 0.78 0.38 -0.55 8.40 8.99 1ozhA1 ALA 104 HA 0.02 0.21 1.06 -0.75 4.34 4.88 1ozhA1 ALA 104 HB3 0.14 -0.03 -0.03 -0.04 1.41 1.45 1ozhA1 LEU 105 H -0.03 0.76 0.30 -0.55 8.37 8.85 1ozhA1 LEU 105 HA -0.24 0.20 0.93 -0.75 4.35 4.48 1ozhA1 LEU 105 HB2 -0.07 -0.03 0.20 -0.04 1.64 1.70 1ozhA1 LEU 105 HB3 -0.10 -0.05 -0.01 -0.04 1.64 1.44 1ozhA1 LEU 105 HG -0.06 0.09 -0.12 -0.04 1.64 1.51 1ozhA1 LEU 105 HD13 -0.03 -0.01 -0.11 -0.04 0.93 0.74 1ozhA1 LEU 105 HD23 -0.09 0.01 -0.19 -0.04 0.89 0.58 1ozhA1 GLY 106 H -0.40 0.69 0.30 -0.55 8.43 8.47 1ozhA1 GLY 106 HA2 0.07 0.22 0.97 -0.51 4.01 4.75 1ozhA1 GLY 106 HA3 0.17 -0.04 0.20 -0.51 4.01 3.83 1ozhA1 GLY 107 H 0.07 0.47 0.09 -0.55 8.43 8.51 1ozhA1 GLY 107 HA2 0.01 0.28 0.42 -0.51 4.01 4.21 1ozhA1 GLY 107 HA3 0.04 -0.19 0.20 -0.51 4.01 3.55 1ozhA1 ALA 108 H 0.02 0.43 0.21 -0.55 8.40 8.51 1ozhA1 ALA 108 HA 0.04 -0.01 0.58 -0.75 4.34 4.20 1ozhA1 ALA 108 HB3 0.02 0.04 -0.21 -0.04 1.41 1.22 1ozhA1 VAL 109 H 0.03 0.14 0.13 -0.55 8.24 7.99 1ozhA1 VAL 109 HA 0.02 0.02 0.47 -0.75 4.13 3.88 1ozhA1 VAL 109 HB 0.01 0.02 0.08 -0.04 2.12 2.19 1ozhA1 VAL 109 HG13 0.02 0.00 0.05 -0.04 0.97 1.00 1ozhA1 VAL 109 HG23 0.02 0.08 -0.19 -0.04 0.95 0.82 1ozhA1 LYS 110 H 0.01 0.14 0.21 -0.55 8.42 8.23 1ozhA1 LYS 110 HA 0.01 -0.16 0.49 -0.75 4.32 3.91 1ozhA1 LYS 110 HB2 0.01 0.02 0.13 -0.04 1.87 1.99 1ozhA1 LYS 110 HB3 0.01 -0.00 0.15 -0.04 1.79 1.91 1ozhA1 LYS 110 HG2 0.01 -0.09 0.11 -0.04 1.46 1.46 1ozhA1 LYS 110 HG3 0.01 0.02 0.15 -0.04 1.46 1.60 1ozhA1 LYS 110 HD2 0.01 0.04 0.05 -0.04 1.69 1.75 1ozhA1 LYS 110 HD3 0.01 0.03 0.06 -0.04 1.68 1.74 1ozhA1 LYS 110 HE2 0.01 0.09 0.02 -0.04 2.99 3.06 1ozhA1 LYS 110 HE3 0.02 0.01 -0.00 -0.04 2.99 2.97 1ozhA1 ARG 111 H 0.01 0.08 0.21 -0.55 8.46 8.20 1ozhA1 ARG 111 HA 0.01 0.13 0.42 -0.75 4.34 4.14 1ozhA1 ARG 111 HB2 0.01 -0.04 0.14 -0.04 1.90 1.96 1ozhA1 ARG 111 HB3 0.01 0.12 0.07 -0.04 1.80 1.95 1ozhA1 ARG 111 HG2 0.00 0.07 0.10 -0.04 1.67 1.79 1ozhA1 ARG 111 HG3 0.00 -0.20 0.13 -0.04 1.67 1.56 1ozhA1 ARG 111 HD2 0.00 0.13 0.07 -0.04 3.22 3.38 1ozhA1 ARG 111 HD3 -0.00 0.04 -0.04 -0.04 3.22 3.18 1ozhA1 ALA 112 H 0.01 -0.04 -0.20 -0.55 8.40 7.62 1ozhA1 ALA 112 HA 0.01 0.17 0.41 -0.75 4.34 4.17 1ozhA1 ALA 112 HB3 0.01 -0.00 0.04 -0.04 1.41 1.41 1ozhA1 ASP 113 H 0.01 -0.00 -0.41 -0.55 8.40 7.45 1ozhA1 ASP 113 HA 0.01 0.15 0.52 -0.75 4.63 4.55 1ozhA1 ASP 113 HB2 0.01 -0.04 -0.00 -0.04 2.71 2.64 1ozhA1 ASP 113 HB3 0.01 0.02 0.01 -0.04 2.70 2.69 1ozhA1 LYS 114 H 0.01 0.19 -0.43 -0.55 8.42 7.63 1ozhA1 LYS 114 HA 0.01 0.13 0.26 -0.75 4.32 3.97 1ozhA1 LYS 114 HB2 0.01 -0.08 -0.04 -0.04 1.87 1.73 1ozhA1 LYS 114 HB3 0.01 0.13 0.09 -0.04 1.79 1.98 1ozhA1 LYS 114 HG2 0.01 0.05 0.07 -0.04 1.46 1.54 1ozhA1 LYS 114 HG3 0.02 0.00 0.07 -0.04 1.46 1.51 1ozhA1 LYS 114 HD2 0.02 -0.08 -0.03 -0.04 1.69 1.56 1ozhA1 LYS 114 HD3 0.01 0.03 0.00 -0.04 1.68 1.68 1ozhA1 LYS 114 HE2 0.02 0.05 -0.01 -0.04 2.99 3.00 1ozhA1 LYS 114 HE3 0.02 0.00 -0.06 -0.04 2.99 2.92 1ozhA1 SER 121 HA 0.02 -0.10 0.21 -0.75 4.49 3.87 1ozhA1 MET 122 H 0.03 -0.00 0.11 -0.55 8.47 8.06 1ozhA1 MET 122 HA 0.02 0.15 0.54 -0.75 4.52 4.47 1ozhA1 MET 122 HB2 0.02 0.02 0.13 -0.04 2.15 2.28 1ozhA1 MET 122 HB3 0.04 -0.13 0.18 -0.04 2.03 2.08 1ozhA1 MET 122 HG2 0.04 -0.02 -0.27 -0.04 2.63 2.34 1ozhA1 MET 122 HG3 0.01 0.10 -0.03 -0.04 2.56 2.60 1ozhA1 MET 122 HE3 0.01 0.02 -0.07 -0.04 2.10 2.01 1ozhA1 ASP 123 H 0.02 0.26 0.13 -0.55 8.40 8.27 1ozhA1 ASP 123 HA 0.05 0.11 0.58 -0.75 4.63 4.61 1ozhA1 ASP 123 HB2 0.02 0.15 0.13 -0.04 2.71 2.97 1ozhA1 ASP 123 HB3 0.02 0.03 0.23 -0.04 2.70 2.93 1ozhA1 THR 124 H 0.09 0.46 -0.03 -0.55 8.28 8.26 1ozhA1 THR 124 HA 0.10 0.08 0.26 -0.75 4.39 4.08 1ozhA1 THR 124 HB 0.01 0.06 -0.09 -0.04 4.32 4.26 1ozhA1 THR 124 HG23 0.12 0.04 -0.02 -0.04 1.22 1.32 1ozhA1 VAL 125 H 0.14 0.10 -0.21 -0.55 8.24 7.72 1ozhA1 VAL 125 HA 0.22 0.09 0.22 -0.75 4.13 3.91 1ozhA1 VAL 125 HB 0.07 -0.04 -0.02 -0.04 2.12 2.09 1ozhA1 VAL 125 HG13 0.04 0.05 -0.26 -0.04 0.97 0.76 1ozhA1 VAL 125 HG23 0.09 -0.01 -0.18 -0.04 0.95 0.81 1ozhA1 ALA 126 H 0.06 0.08 -0.34 -0.55 8.40 7.65 1ozhA1 ALA 126 HA 0.03 0.10 0.37 -0.75 4.34 4.09 1ozhA1 ALA 126 HB3 0.02 0.04 0.06 -0.04 1.41 1.48 1ozhA1 MET 127 H 0.05 0.18 -0.33 -0.55 8.47 7.81 1ozhA1 MET 127 HA -0.06 0.09 0.44 -0.75 4.52 4.23 1ozhA1 MET 127 HB2 -0.00 0.03 0.09 -0.04 2.15 2.22 1ozhA1 MET 127 HB3 -0.20 -0.04 -0.03 -0.04 2.03 1.72 1ozhA1 MET 127 HG2 -0.05 0.02 -0.04 -0.04 2.63 2.52 1ozhA1 MET 127 HG3 -0.00 0.16 -0.04 -0.04 2.56 2.63 1ozhA1 MET 127 HE3 -0.07 0.01 -0.05 -0.04 2.10 1.95 1ozhA1 PHE 128 H 0.19 0.45 -0.14 -0.55 8.34 8.29 1ozhA1 PHE 128 HA -0.12 0.09 0.56 -0.75 4.62 4.40 1ozhA1 PHE 128 HB2 -0.18 0.02 -0.03 -0.04 3.15 2.92 1ozhA1 PHE 128 HB3 -0.08 0.03 -0.14 -0.04 3.06 2.83 1ozhA1 PHE 128 HD2 -0.35 0.18 -0.12 -0.04 7.28 6.95 1ozhA1 PHE 128 HE2 -0.32 -0.08 -0.24 -0.04 7.38 6.70 1ozhA1 PHE 128 HZ -0.27 0.19 -0.11 -0.04 7.32 7.09 1ozhA1 SER 129 H 0.09 0.33 -0.23 -0.55 8.46 8.10 1ozhA1 SER 129 HA 0.08 0.00 0.23 -0.75 4.49 4.05 1ozhA1 SER 129 HB2 0.03 0.09 0.05 -0.04 3.95 4.08 1ozhA1 SER 129 HB3 0.03 -0.02 -0.03 -0.04 3.93 3.87 1ozhA1 PRO 130 HA 0.01 0.09 0.45 -0.51 4.44 4.48 1ozhA1 PRO 130 HB2 -0.04 0.01 -0.06 -0.04 2.28 2.15 1ozhA1 PRO 130 HB3 -0.02 -0.03 0.05 -0.04 2.02 1.98 1ozhA1 PRO 130 HG2 -0.03 0.00 0.02 -0.04 2.03 1.98 1ozhA1 PRO 130 HG3 -0.01 -0.02 -0.01 -0.04 2.03 1.95 1ozhA1 PRO 130 HD2 -0.04 0.26 -0.48 -0.04 3.68 3.37 1ozhA1 PRO 130 HD3 0.00 0.16 -0.05 -0.04 3.65 3.72 1ozhA1 VAL 131 H -0.01 0.35 -0.40 -0.55 8.24 7.63 1ozhA1 VAL 131 HA 0.01 0.24 0.97 -0.75 4.13 4.59 1ozhA1 VAL 131 HB -0.01 -0.11 0.15 -0.04 2.12 2.11 1ozhA1 VAL 131 HG13 -0.06 -0.02 -0.17 -0.04 0.97 0.68 1ozhA1 VAL 131 HG23 -0.11 0.00 -0.07 -0.04 0.95 0.73 1ozhA1 THR 132 H 0.06 0.43 -0.18 -0.55 8.28 8.05 1ozhA1 THR 132 HA 0.10 0.10 0.75 -0.75 4.39 4.58 1ozhA1 THR 132 HB 0.17 0.05 0.00 -0.04 4.32 4.50 1ozhA1 THR 132 HG23 0.24 -0.04 -0.36 -0.04 1.22 1.02 1ozhA1 LYS 133 H 0.11 0.69 0.31 -0.55 8.42 8.97 1ozhA1 LYS 133 HA 0.09 0.11 0.68 -0.75 4.32 4.45 1ozhA1 LYS 133 HB2 0.09 0.08 -0.06 -0.04 1.87 1.94 1ozhA1 LYS 133 HB3 0.09 -0.03 -0.04 -0.04 1.79 1.77 1ozhA1 LYS 133 HG2 0.07 -0.06 -0.02 -0.04 1.46 1.41 1ozhA1 LYS 133 HG3 0.06 -0.13 -0.02 -0.04 1.46 1.33 1ozhA1 LYS 133 HD2 0.05 0.25 -0.20 -0.04 1.69 1.75 1ozhA1 LYS 133 HD3 0.04 0.01 -0.16 -0.04 1.68 1.53 1ozhA1 LYS 133 HE2 0.06 -0.17 -0.07 -0.04 2.99 2.78 1ozhA1 LYS 133 HE3 0.07 -0.19 -0.02 -0.04 2.99 2.81 1ozhA1 TYR 134 H 0.19 0.25 0.13 -0.55 8.29 8.31 1ozhA1 TYR 134 HA 0.04 0.11 0.72 -0.75 4.56 4.67 1ozhA1 TYR 134 HB2 0.02 0.12 -0.26 -0.04 3.06 2.90 1ozhA1 TYR 134 HB3 0.01 -0.02 0.06 -0.04 2.98 2.99 1ozhA1 TYR 134 HD2 -0.00 -0.03 -0.15 -0.04 7.15 6.93 1ozhA1 TYR 134 HE2 -0.03 -0.02 -0.14 -0.04 6.85 6.62 1ozhA1 ALA 135 H -0.24 0.29 0.06 -0.55 8.40 7.97 1ozhA1 ALA 135 HA 0.05 0.28 0.82 -0.75 4.34 4.74 1ozhA1 ALA 135 HB3 0.14 0.00 -0.11 -0.04 1.41 1.40 1ozhA1 ILE 136 H -0.17 0.60 0.28 -0.55 8.25 8.40 1ozhA1 ILE 136 HA -0.12 0.09 0.72 -0.75 4.18 4.11 1ozhA1 ILE 136 HB -0.44 0.10 -0.19 -0.04 1.89 1.32 1ozhA1 ILE 136 HG12 -0.09 0.02 -0.24 -0.04 1.49 1.14 1ozhA1 ILE 136 HG13 -0.11 -0.03 0.12 -0.04 1.21 1.15 1ozhA1 ILE 136 HG23 -0.23 0.01 -0.12 -0.04 0.93 0.55 1ozhA1 ILE 136 HD13 -0.06 0.00 -0.06 -0.04 0.88 0.72 1ozhA1 GLU 137 H -0.06 0.22 0.16 -0.55 8.60 8.38 1ozhA1 GLU 137 HA -0.11 0.19 1.05 -0.75 4.29 4.66 1ozhA1 GLU 137 HB2 -0.01 -0.09 -0.02 -0.04 2.09 1.93 1ozhA1 GLU 137 HB3 -0.02 0.01 0.07 -0.04 1.99 2.02 1ozhA1 GLU 137 HG2 -0.02 0.04 -0.41 -0.04 2.34 1.91 1ozhA1 GLU 137 HG3 -0.04 0.09 -0.11 -0.04 2.34 2.24 1ozhA1 VAL 138 H -0.07 0.67 0.25 -0.55 8.24 8.54 1ozhA1 VAL 138 HA -0.03 0.06 0.54 -0.75 4.13 3.94 1ozhA1 VAL 138 HB -0.05 -0.01 0.21 -0.04 2.12 2.23 1ozhA1 VAL 138 HG13 -0.03 -0.04 -0.23 -0.04 0.97 0.63 1ozhA1 VAL 138 HG23 -0.05 0.04 -0.06 -0.04 0.95 0.84 1ozhA1 THR 139 H -0.02 0.24 0.21 -0.55 8.28 8.16 1ozhA1 THR 139 HA -0.01 0.14 0.74 -0.75 4.39 4.51 1ozhA1 THR 139 HB -0.00 0.01 0.13 -0.04 4.32 4.41 1ozhA1 THR 139 HG23 -0.01 0.03 -0.08 -0.04 1.22 1.12 1ozhA1 ALA 140 H -0.01 0.11 -0.12 -0.55 8.40 7.84 1ozhA1 ALA 140 HA -0.00 0.25 0.76 -0.75 4.34 4.59 1ozhA1 ALA 140 HB3 0.00 0.03 -0.02 -0.04 1.41 1.38 1ozhA1 PRO 141 HA -0.01 0.06 0.41 -0.51 4.44 4.39 1ozhA1 PRO 141 HB2 0.01 0.08 0.06 -0.04 2.28 2.39 1ozhA1 PRO 141 HB3 0.01 0.11 0.14 -0.04 2.02 2.23 1ozhA1 PRO 141 HG2 0.01 -0.03 0.13 -0.04 2.03 2.10 1ozhA1 PRO 141 HG3 0.01 0.13 0.10 -0.04 2.03 2.24 1ozhA1 PRO 141 HD2 0.00 0.13 0.24 -0.04 3.68 4.02 1ozhA1 PRO 141 HD3 0.00 0.14 0.13 -0.04 3.65 3.88 1ozhA1 ASP 142 H 0.01 0.13 -0.22 -0.55 8.40 7.77 1ozhA1 ASP 142 HA 0.01 0.18 0.47 -0.75 4.63 4.54 1ozhA1 ASP 142 HB2 0.02 0.06 0.14 -0.04 2.71 2.88 1ozhA1 ASP 142 HB3 0.02 0.06 0.15 -0.04 2.70 2.89 1ozhA1 ALA 143 H -0.01 0.49 -0.48 -0.55 8.40 7.85 1ozhA1 ALA 143 HA -0.00 0.19 0.80 -0.75 4.34 4.57 1ozhA1 ALA 143 HB3 -0.00 0.01 0.05 -0.04 1.41 1.43 1ozhA1 LEU 144 H -0.03 0.41 -0.15 -0.55 8.37 8.05 1ozhA1 LEU 144 HA -0.04 -0.01 0.27 -0.75 4.35 3.81 1ozhA1 LEU 144 HB2 -0.06 0.07 0.17 -0.04 1.64 1.78 1ozhA1 LEU 144 HB3 -0.10 -0.00 0.09 -0.04 1.64 1.58 1ozhA1 LEU 144 HG -0.12 0.00 -0.27 -0.04 1.64 1.21 1ozhA1 LEU 144 HD13 -0.06 -0.02 -0.09 -0.04 0.93 0.72 1ozhA1 LEU 144 HD23 -0.12 0.02 -0.07 -0.04 0.89 0.68 1ozhA1 ALA 145 H -0.08 0.18 -0.21 -0.55 8.40 7.74 1ozhA1 ALA 145 HA -0.10 0.07 0.34 -0.75 4.34 3.90 1ozhA1 ALA 145 HB3 -0.09 0.01 -0.02 -0.04 1.41 1.27 1ozhA1 GLU 146 H -0.02 0.15 -0.19 -0.55 8.60 7.99 1ozhA1 GLU 146 HA -0.00 0.09 0.39 -0.75 4.29 4.01 1ozhA1 GLU 146 HB2 0.02 0.02 0.04 -0.04 2.09 2.13 1ozhA1 GLU 146 HB3 0.00 0.02 0.09 -0.04 1.99 2.07 1ozhA1 GLU 146 HG2 0.01 0.03 0.12 -0.04 2.34 2.46 1ozhA1 GLU 146 HG3 0.03 0.02 -0.14 -0.04 2.34 2.21 1ozhA1 VAL 147 H 0.01 0.57 -0.20 -0.55 8.24 8.07 1ozhA1 VAL 147 HA 0.12 0.04 0.33 -0.75 4.13 3.87 1ozhA1 VAL 147 HB 0.00 0.10 0.01 -0.04 2.12 2.20 1ozhA1 VAL 147 HG13 0.05 -0.02 -0.27 -0.04 0.97 0.69 1ozhA1 VAL 147 HG23 0.02 0.00 -0.07 -0.04 0.95 0.86 1ozhA1 VAL 148 H 0.01 0.45 -0.18 -0.55 8.24 7.97 1ozhA1 VAL 148 HA 0.05 0.02 0.37 -0.75 4.13 3.82 1ozhA1 VAL 148 HB -0.01 0.10 0.11 -0.04 2.12 2.28 1ozhA1 VAL 148 HG13 0.13 0.01 -0.18 -0.04 0.97 0.89 1ozhA1 VAL 148 HG23 -0.03 0.01 -0.04 -0.04 0.95 0.85 1ozhA1 SER 149 H 0.01 0.62 -0.08 -0.55 8.46 8.47 1ozhA1 SER 149 HA 0.03 0.07 0.37 -0.75 4.49 4.21 1ozhA1 SER 149 HB2 -0.03 0.01 0.09 -0.04 3.95 3.98 1ozhA1 SER 149 HB3 -0.00 -0.01 0.15 -0.04 3.93 4.03 1ozhA1 ASN 150 H 0.01 0.76 -0.13 -0.55 8.53 8.62 1ozhA1 ASN 150 HA -0.06 0.01 0.43 -0.75 4.76 4.39 1ozhA1 ASN 150 HB2 0.07 0.08 0.06 -0.04 2.88 3.04 1ozhA1 ASN 150 HB3 -0.03 -0.05 0.01 -0.04 2.79 2.68 1ozhA1 ASN 150 HD21 0.04 -0.07 -0.06 -0.04 7.03 6.91 1ozhA1 ASN 150 HD22 0.10 -0.05 -0.11 -0.04 7.74 7.63 1ozhA1 ALA 151 H -0.11 0.34 -0.58 -0.55 8.40 7.50 1ozhA1 ALA 151 HA -1.17 -0.01 0.35 -0.75 4.34 2.76 1ozhA1 ALA 151 HB3 -0.12 0.06 0.00 -0.04 1.41 1.30 1ozhA1 PHE 152 H 0.17 0.40 -0.20 -0.55 8.34 8.16 1ozhA1 PHE 152 HA -0.08 0.03 0.39 -0.75 4.62 4.21 1ozhA1 PHE 152 HB2 -0.08 0.17 0.16 -0.04 3.15 3.36 1ozhA1 PHE 152 HB3 -0.05 -0.00 -0.01 -0.04 3.06 2.95 1ozhA1 PHE 152 HD2 -0.05 0.17 0.03 -0.04 7.28 7.39 1ozhA1 PHE 152 HE2 -0.04 0.03 -0.11 -0.04 7.38 7.22 1ozhA1 PHE 152 HZ -0.04 -0.04 -0.09 -0.04 7.32 7.11 1ozhA1 ARG 153 H 0.01 0.34 -0.16 -0.55 8.46 8.09 1ozhA1 ARG 153 HA 0.01 0.04 0.37 -0.75 4.34 4.01 1ozhA1 ARG 153 HB2 -0.06 0.08 0.11 -0.04 1.90 1.98 1ozhA1 ARG 153 HB3 -0.01 -0.02 -0.00 -0.04 1.80 1.72 1ozhA1 ARG 153 HG2 0.01 0.07 0.07 -0.04 1.67 1.78 1ozhA1 ARG 153 HG3 -0.01 -0.06 -0.04 -0.04 1.67 1.52 1ozhA1 ARG 153 HD2 0.00 0.05 0.04 -0.04 3.22 3.27 1ozhA1 ARG 153 HD3 -0.00 -0.06 0.02 -0.04 3.22 3.13 1ozhA1 ALA 154 H -0.21 0.49 -0.28 -0.55 8.40 7.86 1ozhA1 ALA 154 HA -0.03 0.01 0.32 -0.75 4.34 3.89 1ozhA1 ALA 154 HB3 -0.19 0.00 -0.02 -0.04 1.41 1.16 1ozhA1 ALA 155 H -0.13 0.40 -0.24 -0.55 8.40 7.88 1ozhA1 ALA 155 HA -0.02 0.03 0.29 -0.75 4.34 3.89 1ozhA1 ALA 155 HB3 -0.10 -0.05 0.06 -0.04 1.41 1.28 1ozhA1 GLU 156 H -0.00 0.51 -0.14 -0.55 8.60 8.42 1ozhA1 GLU 156 HA 0.02 0.13 0.67 -0.75 4.29 4.35 1ozhA1 GLU 156 HB2 0.04 -0.03 0.08 -0.04 2.09 2.15 1ozhA1 GLU 156 HB3 0.03 0.03 0.08 -0.04 1.99 2.09 1ozhA1 GLU 156 HG2 0.06 0.04 0.04 -0.04 2.34 2.44 1ozhA1 GLU 156 HG3 0.06 -0.01 0.07 -0.04 2.34 2.41 1ozhA1 GLN 157 H 0.01 0.49 -0.06 -0.55 8.47 8.36 1ozhA1 GLN 157 HA 0.02 0.07 0.57 -0.75 4.36 4.26 1ozhA1 GLN 157 HB2 0.01 0.08 0.01 -0.04 2.15 2.21 1ozhA1 GLN 157 HB3 0.02 -0.19 0.11 -0.04 2.02 1.91 1ozhA1 GLN 157 HG2 0.01 -0.04 -0.02 -0.04 2.40 2.32 1ozhA1 GLN 157 HG3 0.01 0.10 0.11 -0.04 2.39 2.57 1ozhA1 GLN 157 HE21 0.01 -0.09 -0.02 -0.04 6.97 6.84 1ozhA1 GLN 157 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 1ozhA1 GLY 158 H 0.03 -0.02 0.12 -0.55 8.43 8.01 1ozhA1 GLY 158 HA2 0.04 -0.09 0.27 -0.51 4.01 3.72 1ozhA1 GLY 158 HA3 0.05 0.01 0.33 -0.51 4.01 3.89 1ozhA1 ARG 159 H 0.08 0.03 0.11 -0.55 8.46 8.13 1ozhA1 ARG 159 HA 0.04 0.01 0.61 -0.75 4.34 4.24 1ozhA1 ARG 159 HB2 0.07 0.02 0.18 -0.04 1.90 2.13 1ozhA1 ARG 159 HB3 0.04 0.04 0.08 -0.04 1.80 1.92 1ozhA1 ARG 159 HG2 0.14 -0.10 0.04 -0.04 1.67 1.70 1ozhA1 ARG 159 HG3 0.16 -0.02 0.03 -0.04 1.67 1.79 1ozhA1 ARG 159 HD2 0.07 0.05 -0.02 -0.04 3.22 3.29 1ozhA1 ARG 159 HD3 0.16 -0.11 -0.06 -0.04 3.22 3.16 1ozhA1 PRO 160 HA 0.02 0.31 0.27 -0.51 4.44 4.54 1ozhA1 PRO 160 HB2 0.02 0.35 -0.03 -0.04 2.28 2.58 1ozhA1 PRO 160 HB3 0.02 0.03 0.12 -0.04 2.02 2.14 1ozhA1 PRO 160 HG2 0.01 -0.08 0.14 -0.04 2.03 2.06 1ozhA1 PRO 160 HG3 0.02 0.27 0.06 -0.04 2.03 2.34 1ozhA1 PRO 160 HD2 0.02 -0.04 0.23 -0.04 3.68 3.84 1ozhA1 PRO 160 HD3 0.03 0.19 0.38 -0.04 3.65 4.20 1ozhA1 GLY 161 H 0.02 0.60 0.24 -0.55 8.43 8.75 1ozhA1 GLY 161 HA2 0.04 0.05 0.28 -0.51 4.01 3.87 1ozhA1 GLY 161 HA3 0.04 -0.02 0.34 -0.51 4.01 3.86 1ozhA1 SER 162 H 0.06 0.07 0.20 -0.55 8.46 8.25 1ozhA1 SER 162 HA 0.03 0.24 1.09 -0.75 4.49 5.10 1ozhA1 SER 162 HB2 0.10 -0.07 0.10 -0.04 3.95 4.04 1ozhA1 SER 162 HB3 0.08 0.00 0.07 -0.04 3.93 4.05 1ozhA1 ALA 163 H 0.03 0.74 0.49 -0.55 8.40 9.11 1ozhA1 ALA 163 HA 0.19 0.21 1.04 -0.75 4.34 5.03 1ozhA1 ALA 163 HB3 0.01 -0.01 0.03 -0.04 1.41 1.39 1ozhA1 PHE 164 H 0.25 0.79 0.42 -0.55 8.34 9.24 1ozhA1 PHE 164 HA -0.14 0.26 1.09 -0.75 4.62 5.09 1ozhA1 PHE 164 HB2 -0.30 0.02 -0.08 -0.04 3.15 2.76 1ozhA1 PHE 164 HB3 -0.16 -0.02 0.11 -0.04 3.06 2.95 1ozhA1 PHE 164 HD2 -0.40 0.00 -0.18 -0.04 7.28 6.66 1ozhA1 PHE 164 HE2 -0.26 -0.11 -0.26 -0.04 7.38 6.70 1ozhA1 PHE 164 HZ -0.20 -0.06 -0.16 -0.04 7.32 6.85 1ozhA1 VAL 165 H -0.73 0.71 0.37 -0.55 8.24 8.05 1ozhA1 VAL 165 HA -0.35 0.30 1.06 -0.75 4.13 4.39 1ozhA1 VAL 165 HB -0.23 -0.03 0.08 -0.04 2.12 1.89 1ozhA1 VAL 165 HG13 -0.13 -0.02 -0.24 -0.04 0.97 0.54 1ozhA1 VAL 165 HG23 0.03 0.01 -0.27 -0.04 0.95 0.68 1ozhA1 SER 166 H -0.38 0.63 0.32 -0.55 8.46 8.49 1ozhA1 SER 166 HA -0.41 0.26 0.80 -0.75 4.49 4.39 1ozhA1 SER 166 HB2 -0.01 -0.04 -0.07 -0.04 3.95 3.79 1ozhA1 SER 166 HB3 -0.08 -0.11 0.10 -0.04 3.93 3.80 1ozhA1 LEU 167 H -0.11 0.76 0.18 -0.55 8.37 8.64 1ozhA1 LEU 167 HA -0.07 0.19 0.95 -0.75 4.35 4.66 1ozhA1 LEU 167 HB2 -0.06 -0.03 -0.01 -0.04 1.64 1.50 1ozhA1 LEU 167 HB3 -0.05 -0.01 -0.09 -0.04 1.64 1.45 1ozhA1 LEU 167 HG -0.15 0.06 -0.39 -0.04 1.64 1.11 1ozhA1 LEU 167 HD13 -0.07 -0.00 -0.16 -0.04 0.93 0.65 1ozhA1 LEU 167 HD23 -0.08 0.02 -0.17 -0.04 0.89 0.62 1ozhA1 PRO 168 HA 0.00 0.14 0.31 -0.51 4.44 4.39 1ozhA1 PRO 168 HB2 -0.00 -0.16 0.11 -0.04 2.28 2.18 1ozhA1 PRO 168 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 1ozhA1 PRO 168 HG2 -0.01 0.24 0.09 -0.04 2.03 2.31 1ozhA1 PRO 168 HG3 -0.01 0.01 -0.04 -0.04 2.03 1.95 1ozhA1 PRO 168 HD2 -0.03 0.12 0.23 -0.04 3.68 3.96 1ozhA1 PRO 168 HD3 -0.04 0.21 0.04 -0.04 3.65 3.82 1ozhA1 GLN 169 H 0.01 0.47 0.13 -0.55 8.47 8.54 1ozhA1 GLN 169 HA 0.01 0.22 0.51 -0.75 4.36 4.34 1ozhA1 GLN 169 HB2 0.01 0.05 0.30 -0.04 2.15 2.48 1ozhA1 GLN 169 HB3 0.01 -0.16 0.17 -0.04 2.02 2.00 1ozhA1 GLN 169 HG2 0.02 -0.01 -0.13 -0.04 2.40 2.24 1ozhA1 GLN 169 HG3 0.01 0.13 0.17 -0.04 2.39 2.67 1ozhA1 GLN 169 HE21 0.01 -0.05 -0.16 -0.04 6.97 6.73 1ozhA1 GLN 169 HE22 0.01 0.21 -0.07 -0.04 7.69 7.80 1ozhA1 ASP 170 H 0.01 -0.02 -0.09 -0.55 8.40 7.75 1ozhA1 ASP 170 HA 0.03 0.16 0.55 -0.75 4.63 4.60 1ozhA1 ASP 170 HB2 0.02 0.14 0.09 -0.04 2.71 2.92 1ozhA1 ASP 170 HB3 0.02 -0.03 0.16 -0.04 2.70 2.81 1ozhA1 VAL 171 H 0.01 0.12 -0.26 -0.55 8.24 7.56 1ozhA1 VAL 171 HA 0.01 0.12 0.43 -0.75 4.13 3.95 1ozhA1 VAL 171 HB -0.01 0.14 0.04 -0.04 2.12 2.25 1ozhA1 VAL 171 HG13 -0.02 -0.01 -0.16 -0.04 0.97 0.75 1ozhA1 VAL 171 HG23 -0.00 -0.00 -0.06 -0.04 0.95 0.84 1ozhA1 VAL 172 H 0.01 0.35 -0.19 -0.55 8.24 7.86 1ozhA1 VAL 172 HA -0.00 0.04 0.49 -0.75 4.13 3.90 1ozhA1 VAL 172 HB 0.01 0.10 0.06 -0.04 2.12 2.24 1ozhA1 VAL 172 HG13 -0.00 -0.03 -0.14 -0.04 0.97 0.76 1ozhA1 VAL 172 HG23 -0.02 0.02 -0.15 -0.04 0.95 0.76 1ozhA1 ASP 173 H 0.04 0.40 -0.08 -0.55 8.40 8.21 1ozhA1 ASP 173 HA 0.08 0.02 0.63 -0.75 4.63 4.61 1ozhA1 ASP 173 HB2 0.05 0.03 0.19 -0.04 2.71 2.94 1ozhA1 ASP 173 HB3 0.08 -0.01 0.06 -0.04 2.70 2.79 1ozhA1 GLY 174 H 0.06 0.33 -0.13 -0.55 8.43 8.14 1ozhA1 GLY 174 HA2 0.07 0.09 0.61 -0.51 4.01 4.27 1ozhA1 GLY 174 HA3 0.05 0.03 0.39 -0.51 4.01 3.97 1ozhA1 PRO 175 HA 0.04 0.03 0.03 -0.51 4.44 4.03 1ozhA1 PRO 175 HB2 0.02 -0.01 0.03 -0.04 2.28 2.27 1ozhA1 PRO 175 HB3 -0.04 0.01 0.23 -0.04 2.02 2.18 1ozhA1 PRO 175 HG2 0.02 -0.05 0.05 -0.04 2.03 2.01 1ozhA1 PRO 175 HG3 -0.00 -0.01 0.09 -0.04 2.03 2.07 1ozhA1 PRO 175 HD2 0.02 -0.03 0.27 -0.04 3.68 3.90 1ozhA1 PRO 175 HD3 -0.01 0.17 0.28 -0.04 3.65 4.05 1ozhA1 VAL 176 H 0.16 0.63 0.23 -0.55 8.24 8.71 1ozhA1 VAL 176 HA 0.07 0.09 0.67 -0.75 4.13 4.20 1ozhA1 VAL 176 HB 0.03 0.08 -0.18 -0.04 2.12 2.01 1ozhA1 VAL 176 HG13 0.03 -0.02 -0.20 -0.04 0.97 0.73 1ozhA1 VAL 176 HG23 0.02 -0.01 -0.28 -0.04 0.95 0.65 1ozhA1 SER 177 H 0.09 0.18 0.10 -0.55 8.46 8.29 1ozhA1 SER 177 HA 0.21 0.24 1.02 -0.75 4.49 5.20 1ozhA1 SER 177 HB2 0.06 0.07 -0.00 -0.04 3.95 4.05 1ozhA1 SER 177 HB3 0.06 -0.02 -0.02 -0.04 3.93 3.91 1ozhA1 GLY 178 H 0.35 0.66 0.25 -0.55 8.43 9.15 1ozhA1 GLY 178 HA2 0.11 0.05 0.37 -0.51 4.01 4.03 1ozhA1 GLY 178 HA3 0.11 0.05 0.42 -0.51 4.01 4.08 1ozhA1 LYS 179 H 0.10 0.20 0.17 -0.55 8.42 8.33 1ozhA1 LYS 179 HA 0.30 0.09 1.00 -0.75 4.32 4.96 1ozhA1 LYS 179 HB2 0.10 0.10 0.10 -0.04 1.87 2.13 1ozhA1 LYS 179 HB3 0.10 0.05 0.06 -0.04 1.79 1.96 1ozhA1 LYS 179 HG2 0.06 -0.14 0.10 -0.04 1.46 1.44 1ozhA1 LYS 179 HG3 0.05 0.10 -0.15 -0.04 1.46 1.41 1ozhA1 LYS 179 HD2 0.04 0.05 -0.00 -0.04 1.69 1.74 1ozhA1 LYS 179 HD3 0.04 0.09 0.01 -0.04 1.68 1.79 1ozhA1 LYS 179 HE2 0.03 -0.06 0.01 -0.04 2.99 2.92 1ozhA1 LYS 179 HE3 0.02 0.01 -0.02 -0.04 2.99 2.97 1ozhA1 VAL 180 H 0.20 0.11 0.12 -0.55 8.24 8.11 1ozhA1 VAL 180 HA -0.03 0.00 0.39 -0.75 4.13 3.74 1ozhA1 VAL 180 HB 0.07 0.01 -0.01 -0.04 2.12 2.16 1ozhA1 VAL 180 HG13 -0.03 0.03 -0.24 -0.04 0.97 0.69 1ozhA1 VAL 180 HG23 0.14 -0.00 -0.03 -0.04 0.95 1.02 1ozhA1 LEU 181 H -0.04 0.12 0.09 -0.55 8.37 7.99 1ozhA1 LEU 181 HA -0.00 0.20 0.81 -0.75 4.35 4.61 1ozhA1 LEU 181 HB2 -0.03 -0.04 0.06 -0.04 1.64 1.59 1ozhA1 LEU 181 HB3 -0.02 0.09 -0.02 -0.04 1.64 1.65 1ozhA1 LEU 181 HG -0.02 -0.06 -0.13 -0.04 1.64 1.38 1ozhA1 LEU 181 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1ozhA1 LEU 181 HD23 0.01 0.03 -0.14 -0.04 0.89 0.75 1ozhA1 PRO 182 HA -0.04 0.05 0.38 -0.51 4.44 4.32 1ozhA1 PRO 182 HB2 -0.02 0.11 -0.12 -0.04 2.28 2.21 1ozhA1 PRO 182 HB3 -0.01 0.01 0.04 -0.04 2.02 2.02 1ozhA1 PRO 182 HG2 -0.01 0.00 0.00 -0.04 2.03 1.98 1ozhA1 PRO 182 HG3 -0.00 0.02 0.02 -0.04 2.03 2.03 1ozhA1 PRO 182 HD2 -0.00 0.03 0.20 -0.04 3.68 3.87 1ozhA1 PRO 182 HD3 0.00 0.18 0.11 -0.04 3.65 3.90 1ozhA1 ALA 183 H -0.06 0.21 0.11 -0.55 8.40 8.12 1ozhA1 ALA 183 HA -0.06 -0.00 0.54 -0.75 4.34 4.06 1ozhA1 ALA 183 HB3 -0.09 0.03 0.07 -0.04 1.41 1.37 1ozhA1 SER 184 H -0.02 0.14 0.17 -0.55 8.46 8.20 1ozhA1 SER 184 HA -0.01 0.05 0.36 -0.75 4.49 4.14 1ozhA1 SER 184 HB2 -0.01 -0.02 -0.05 -0.04 3.95 3.83 1ozhA1 SER 184 HB3 -0.01 -0.02 0.05 -0.04 3.93 3.91 1ozhA1 GLY 185 H -0.01 -0.02 -0.08 -0.55 8.43 7.77 1ozhA1 GLY 185 HA2 -0.00 0.05 0.24 -0.51 4.01 3.79 1ozhA1 GLY 185 HA3 -0.01 0.15 0.53 -0.51 4.01 4.17 1ozhA1 ALA 186 H 0.00 0.13 0.14 -0.55 8.40 8.12 1ozhA1 ALA 186 HA 0.01 0.13 0.63 -0.75 4.34 4.35 1ozhA1 ALA 186 HB3 0.00 0.00 0.12 -0.04 1.41 1.50 1ozhA1 PRO 187 HA 0.00 0.06 0.35 -0.51 4.44 4.34 1ozhA1 PRO 187 HB2 0.01 -0.04 -0.05 -0.04 2.28 2.15 1ozhA1 PRO 187 HB3 0.01 -0.00 0.05 -0.04 2.02 2.03 1ozhA1 PRO 187 HG2 0.01 0.00 0.06 -0.04 2.03 2.06 1ozhA1 PRO 187 HG3 0.01 0.07 0.04 -0.04 2.03 2.10 1ozhA1 PRO 187 HD2 0.01 0.03 0.21 -0.04 3.68 3.88 1ozhA1 PRO 187 HD3 0.01 0.34 0.33 -0.04 3.65 4.28 1ozhA1 GLN 188 H 0.00 0.12 0.10 -0.55 8.47 8.15 1ozhA1 GLN 188 HA 0.00 0.15 0.71 -0.75 4.36 4.46 1ozhA1 GLN 188 HB2 0.00 -0.04 0.21 -0.04 2.15 2.28 1ozhA1 GLN 188 HB3 0.00 -0.01 0.06 -0.04 2.02 2.03 1ozhA1 GLN 188 HG2 -0.00 0.06 0.01 -0.04 2.40 2.44 1ozhA1 GLN 188 HG3 0.00 0.03 0.03 -0.04 2.39 2.41 1ozhA1 GLN 188 HE21 -0.00 -0.03 0.00 -0.04 6.97 6.91 1ozhA1 GLN 188 HE22 -0.00 0.02 0.00 -0.04 7.69 7.67 1ozhA1 MET 189 H 0.00 0.31 0.10 -0.55 8.47 8.33 1ozhA1 MET 189 HA 0.01 0.09 0.71 -0.75 4.52 4.57 1ozhA1 MET 189 HB2 0.01 0.05 -0.03 -0.04 2.15 2.14 1ozhA1 MET 189 HB3 0.01 -0.07 0.08 -0.04 2.03 2.00 1ozhA1 MET 189 HG2 0.01 0.12 -0.03 -0.04 2.63 2.69 1ozhA1 MET 189 HG3 0.01 -0.00 0.04 -0.04 2.56 2.57 1ozhA1 MET 189 HE3 0.02 0.01 0.00 -0.04 2.10 2.09 1ozhA1 GLY 190 H 0.01 0.12 0.18 -0.55 8.43 8.19 1ozhA1 GLY 190 HA2 0.00 0.05 0.48 -0.51 4.01 4.03 1ozhA1 GLY 190 HA3 0.01 0.06 0.36 -0.51 4.01 3.94 1ozhA1 ALA 191 H 0.01 0.07 0.13 -0.55 8.40 8.06 1ozhA1 ALA 191 HA 0.01 0.07 0.44 -0.75 4.34 4.11 1ozhA1 ALA 191 HB3 0.00 -0.01 -0.08 -0.04 1.41 1.28 1ozhA1 ALA 192 H 0.01 0.03 -0.06 -0.55 8.40 7.83 1ozhA1 ALA 192 HA 0.02 0.30 0.33 -0.75 4.34 4.23 1ozhA1 ALA 192 HB3 0.02 -0.00 -0.08 -0.04 1.41 1.31 1ozhA1 PRO 193 HA 0.01 0.08 0.46 -0.51 4.44 4.47 1ozhA1 PRO 193 HB2 0.01 -0.13 0.05 -0.04 2.28 2.17 1ozhA1 PRO 193 HB3 0.01 0.11 0.15 -0.04 2.02 2.25 1ozhA1 PRO 193 HG2 0.02 -0.11 0.14 -0.04 2.03 2.04 1ozhA1 PRO 193 HG3 0.02 0.12 0.13 -0.04 2.03 2.25 1ozhA1 PRO 193 HD2 0.02 0.07 0.26 -0.04 3.68 3.99 1ozhA1 PRO 193 HD3 0.02 0.22 0.22 -0.04 3.65 4.07 1ozhA1 ASP 194 H 0.01 0.19 0.18 -0.55 8.40 8.23 1ozhA1 ASP 194 HA 0.01 0.14 0.39 -0.75 4.63 4.42 1ozhA1 ASP 194 HB2 0.01 -0.05 0.15 -0.04 2.71 2.78 1ozhA1 ASP 194 HB3 0.01 0.06 0.01 -0.04 2.70 2.74 1ozhA1 ASP 195 H 0.01 0.11 -0.09 -0.55 8.40 7.89 1ozhA1 ASP 195 HA 0.01 0.10 0.37 -0.75 4.63 4.36 1ozhA1 ASP 195 HB2 0.01 0.07 0.01 -0.04 2.71 2.75 1ozhA1 ASP 195 HB3 0.01 0.03 0.08 -0.04 2.70 2.78 1ozhA1 ALA 196 H 0.01 0.10 -0.47 -0.55 8.40 7.50 1ozhA1 ALA 196 HA 0.02 0.08 0.44 -0.75 4.34 4.13 1ozhA1 ALA 196 HB3 0.02 0.05 0.04 -0.04 1.41 1.47 1ozhA1 ILE 197 H 0.02 0.50 -0.15 -0.55 8.25 8.07 1ozhA1 ILE 197 HA 0.03 0.01 0.37 -0.75 4.18 3.83 1ozhA1 ILE 197 HB 0.02 0.07 0.13 -0.04 1.89 2.07 1ozhA1 ILE 197 HG12 0.02 -0.05 -0.08 -0.04 1.49 1.34 1ozhA1 ILE 197 HG13 0.02 0.12 -0.24 -0.04 1.21 1.07 1ozhA1 ILE 197 HG23 0.02 -0.00 -0.28 -0.04 0.93 0.62 1ozhA1 ILE 197 HD13 0.01 -0.04 -0.11 -0.04 0.88 0.70 1ozhA1 ASP 198 H 0.02 0.75 -0.03 -0.55 8.40 8.59 1ozhA1 ASP 198 HA 0.02 0.08 0.38 -0.75 4.63 4.35 1ozhA1 ASP 198 HB2 0.01 0.05 0.10 -0.04 2.71 2.82 1ozhA1 ASP 198 HB3 0.01 -0.01 0.00 -0.04 2.70 2.66 1ozhA1 GLN 199 H 0.02 0.32 -0.53 -0.55 8.47 7.74 1ozhA1 GLN 199 HA 0.01 0.02 0.41 -0.75 4.36 4.05 1ozhA1 GLN 199 HB2 0.01 0.11 0.16 -0.04 2.15 2.39 1ozhA1 GLN 199 HB3 0.02 0.18 0.12 -0.04 2.02 2.29 1ozhA1 GLN 199 HG2 0.01 -0.03 -0.05 -0.04 2.40 2.30 1ozhA1 GLN 199 HG3 0.01 -0.03 0.05 -0.04 2.39 2.38 1ozhA1 GLN 199 HE21 0.01 0.03 -0.00 -0.04 6.97 6.97 1ozhA1 GLN 199 HE22 0.01 -0.01 -0.05 -0.04 7.69 7.60 1ozhA1 VAL 200 H 0.02 0.41 -0.21 -0.55 8.24 7.91 1ozhA1 VAL 200 HA 0.02 0.03 0.52 -0.75 4.13 3.95 1ozhA1 VAL 200 HB 0.04 0.12 0.11 -0.04 2.12 2.35 1ozhA1 VAL 200 HG13 0.05 -0.01 -0.14 -0.04 0.97 0.83 1ozhA1 VAL 200 HG23 0.04 0.03 -0.05 -0.04 0.95 0.93 1ozhA1 ALA 201 H 0.02 0.63 -0.05 -0.55 8.40 8.46 1ozhA1 ALA 201 HA 0.02 0.04 0.36 -0.75 4.34 4.01 1ozhA1 ALA 201 HB3 0.02 0.08 0.11 -0.04 1.41 1.58 1ozhA1 LYS 202 H 0.01 0.39 -0.42 -0.55 8.42 7.84 1ozhA1 LYS 202 HA 0.01 0.05 0.47 -0.75 4.32 4.10 1ozhA1 LEU 203 H 0.01 0.38 -0.16 -0.55 8.37 8.05 1ozhA1 LEU 203 HA 0.01 0.01 0.41 -0.75 4.35 4.02 1ozhA1 LEU 203 HB2 0.01 0.10 0.16 -0.04 1.64 1.87 1ozhA1 LEU 203 HB3 0.00 -0.06 -0.01 -0.04 1.64 1.54 1ozhA1 LEU 203 HG 0.01 0.26 0.12 -0.04 1.64 1.98 1ozhA1 LEU 203 HD13 0.02 -0.04 -0.07 -0.04 0.93 0.80 1ozhA1 LEU 203 HD23 0.01 -0.02 0.00 -0.04 0.89 0.84 1ozhA1 ILE 204 H -0.00 0.60 -0.25 -0.55 8.25 8.05 1ozhA1 ILE 204 HA -0.04 -0.04 0.36 -0.75 4.18 3.71 1ozhA1 ILE 204 HB -0.01 0.18 0.12 -0.04 1.89 2.14 1ozhA1 ILE 204 HG12 -0.07 -0.09 -0.05 -0.04 1.49 1.24 1ozhA1 ILE 204 HG13 -0.01 0.16 -0.01 -0.04 1.21 1.31 1ozhA1 ILE 204 HG23 -0.05 -0.01 -0.12 -0.04 0.93 0.71 1ozhA1 ILE 204 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.74 1ozhA1 ALA 205 H -0.00 0.35 -0.29 -0.55 8.40 7.91 1ozhA1 ALA 205 HA -0.00 0.03 0.43 -0.75 4.34 4.05 1ozhA1 ALA 205 HB3 0.03 0.02 0.15 -0.04 1.41 1.58 1ozhA1 GLN 206 H 0.01 0.32 -0.34 -0.55 8.47 7.90 1ozhA1 GLN 206 HA 0.02 0.15 0.82 -0.75 4.36 4.60 1ozhA1 GLN 206 HB2 0.01 -0.10 0.15 -0.04 2.15 2.17 1ozhA1 GLN 206 HB3 0.02 -0.05 0.03 -0.04 2.02 1.97 1ozhA1 GLN 206 HG2 0.01 0.26 0.16 -0.04 2.40 2.79 1ozhA1 GLN 206 HG3 0.01 0.05 -0.09 -0.04 2.39 2.32 1ozhA1 GLN 206 HE21 0.01 -0.06 -0.01 -0.04 6.97 6.86 1ozhA1 GLN 206 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 1ozhA1 ALA 207 H -0.00 0.32 -0.34 -0.55 8.40 7.83 1ozhA1 ALA 207 HA -0.00 -0.04 0.55 -0.75 4.34 4.09 1ozhA1 ALA 207 HB3 -0.03 0.02 0.01 -0.04 1.41 1.37 1ozhA1 LYS 208 H -0.00 -0.01 0.19 -0.55 8.42 8.04 1ozhA1 LYS 208 HA 0.01 0.24 0.80 -0.75 4.32 4.61 1ozhA1 ASN 209 H -0.01 -0.04 0.07 -0.55 8.53 8.01 1ozhA1 ASN 209 HA -0.01 0.26 0.96 -0.75 4.76 5.21 1ozhA1 ASN 209 HB2 -0.00 -0.00 0.17 -0.04 2.88 3.00 1ozhA1 ASN 209 HB3 -0.01 0.06 0.04 -0.04 2.79 2.84 1ozhA1 ASN 209 HD21 0.00 -0.07 -0.06 -0.04 7.03 6.86 1ozhA1 ASN 209 HD22 0.00 -0.03 -0.07 -0.04 7.74 7.60 1ozhA1 PRO 210 HA -0.08 0.27 0.73 -0.51 4.44 4.85 1ozhA1 PRO 210 HB2 -0.22 0.01 -0.03 -0.04 2.28 2.00 1ozhA1 PRO 210 HB3 -0.10 -0.01 0.02 -0.04 2.02 1.88 1ozhA1 PRO 210 HG2 -0.09 0.02 -0.04 -0.04 2.03 1.87 1ozhA1 PRO 210 HG3 -0.08 0.15 -0.05 -0.04 2.03 2.01 1ozhA1 PRO 210 HD2 -0.03 0.17 -0.07 -0.04 3.68 3.70 1ozhA1 PRO 210 HD3 -0.03 0.08 -0.54 -0.04 3.65 3.11 1ozhA1 ILE 211 H -0.18 0.32 0.28 -0.55 8.25 8.12 1ozhA1 ILE 211 HA -0.14 0.22 0.48 -0.75 4.18 3.98 1ozhA1 ILE 211 HB -0.05 0.12 -0.19 -0.04 1.89 1.73 1ozhA1 ILE 211 HG12 -0.06 -0.01 -0.45 -0.04 1.49 0.93 1ozhA1 ILE 211 HG13 -0.02 0.12 -0.22 -0.04 1.21 1.05 1ozhA1 ILE 211 HG23 -0.05 -0.02 -0.16 -0.04 0.93 0.66 1ozhA1 ILE 211 HD13 -0.06 -0.04 -0.23 -0.04 0.88 0.50 1ozhA1 PHE 212 H 0.03 0.77 0.26 -0.55 8.34 8.85 1ozhA1 PHE 212 HA -0.04 0.23 0.94 -0.75 4.62 4.99 1ozhA1 PHE 212 HB2 -0.03 0.05 0.17 -0.04 3.15 3.30 1ozhA1 PHE 212 HB3 -0.05 -0.05 -0.04 -0.04 3.06 2.89 1ozhA1 PHE 212 HD2 -0.01 0.14 -0.08 -0.04 7.28 7.28 1ozhA1 PHE 212 HE2 -0.00 -0.03 -0.12 -0.04 7.38 7.19 1ozhA1 PHE 212 HZ -0.01 0.03 -0.12 -0.04 7.32 7.17 1ozhA1 LEU 213 H 0.03 0.63 0.25 -0.55 8.37 8.73 1ozhA1 LEU 213 HA -0.18 0.21 0.87 -0.75 4.35 4.50 1ozhA1 LEU 213 HB2 -0.48 0.04 -0.12 -0.04 1.64 1.04 1ozhA1 LEU 213 HB3 -0.35 -0.06 0.03 -0.04 1.64 1.22 1ozhA1 LEU 213 HG -0.73 -0.10 -0.30 -0.04 1.64 0.47 1ozhA1 LEU 213 HD13 -0.41 0.02 -0.19 -0.04 0.93 0.31 1ozhA1 LEU 213 HD23 -1.54 -0.00 -0.16 -0.04 0.89 -0.85 1ozhA1 LEU 214 H -0.08 0.74 0.35 -0.55 8.37 8.83 1ozhA1 LEU 214 HA -0.02 0.12 0.98 -0.75 4.35 4.68 1ozhA1 LEU 214 HB2 -0.02 -0.06 0.11 -0.04 1.64 1.63 1ozhA1 LEU 214 HB3 -0.03 0.06 0.05 -0.04 1.64 1.68 1ozhA1 LEU 214 HG -0.00 0.08 -0.08 -0.04 1.64 1.60 1ozhA1 LEU 214 HD13 -0.05 0.02 -0.15 -0.04 0.93 0.71 1ozhA1 LEU 214 HD23 -0.11 -0.00 -0.14 -0.04 0.89 0.60 1ozhA1 GLY 215 H 0.05 0.66 0.25 -0.55 8.43 8.85 1ozhA1 GLY 215 HA2 0.12 0.04 0.84 -0.51 4.01 4.50 1ozhA1 GLY 215 HA3 0.20 -0.03 0.16 -0.51 4.01 3.83 1ozhA1 LEU 216 H 0.06 0.06 0.18 -0.55 8.37 8.12 1ozhA1 LEU 216 HA 0.01 0.09 0.13 -0.75 4.35 3.84 1ozhA1 LEU 216 HB2 0.02 -0.06 0.16 -0.04 1.64 1.72 1ozhA1 LEU 216 HB3 0.02 -0.05 0.21 -0.04 1.64 1.79 1ozhA1 LEU 216 HG 0.01 -0.00 -0.30 -0.04 1.64 1.30 1ozhA1 LEU 216 HD13 -0.00 0.03 0.06 -0.04 0.93 0.97 1ozhA1 LEU 216 HD23 0.01 0.03 0.01 -0.04 0.89 0.90 1ozhA1 MET 217 H 0.03 0.30 0.08 -0.55 8.47 8.34 1ozhA1 MET 217 HA 0.00 0.17 0.47 -0.75 4.52 4.42 1ozhA1 MET 217 HB2 0.02 -0.17 0.21 -0.04 2.15 2.17 1ozhA1 MET 217 HB3 0.01 -0.03 0.14 -0.04 2.03 2.11 1ozhA1 MET 217 HG2 0.04 0.03 0.13 -0.04 2.63 2.79 1ozhA1 MET 217 HG3 0.04 -0.13 0.08 -0.04 2.56 2.51 1ozhA1 MET 217 HE3 0.02 -0.00 0.05 -0.04 2.10 2.13 1ozhA1 ALA 218 H 0.00 0.40 -0.23 -0.55 8.40 8.02 1ozhA1 ALA 218 HA -0.04 -0.03 0.39 -0.75 4.34 3.90 1ozhA1 ALA 218 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43 1ozhA1 SER 219 H -0.02 0.50 -0.30 -0.55 8.46 8.09 1ozhA1 SER 219 HA -0.04 0.13 0.63 -0.75 4.49 4.45 1ozhA1 SER 219 HB2 -0.04 -0.05 0.06 -0.04 3.95 3.89 1ozhA1 SER 219 HB3 -0.03 -0.19 0.07 -0.04 3.93 3.74 1ozhA1 GLN 220 H -0.02 0.29 -0.32 -0.55 8.47 7.86 1ozhA1 GLN 220 HA -0.02 0.23 0.54 -0.75 4.36 4.36 1ozhA1 GLN 220 HB2 -0.02 -0.10 0.14 -0.04 2.15 2.13 1ozhA1 GLN 220 HB3 -0.01 -0.04 0.15 -0.04 2.02 2.07 1ozhA1 GLN 220 HG2 -0.01 -0.02 0.21 -0.04 2.40 2.55 1ozhA1 GLN 220 HG3 -0.00 -0.05 0.14 -0.04 2.39 2.44 1ozhA1 GLN 220 HE21 -0.01 0.12 0.02 -0.04 6.97 7.06 1ozhA1 GLN 220 HE22 -0.00 -0.16 -0.11 -0.04 7.69 7.38 1ozhA1 PRO 221 HA -0.03 0.09 0.49 -0.51 4.44 4.48 1ozhA1 PRO 221 HB2 -0.02 -0.02 0.09 -0.04 2.28 2.30 1ozhA1 PRO 221 HB3 -0.02 0.04 0.14 -0.04 2.02 2.14 1ozhA1 PRO 221 HG2 -0.02 0.21 0.12 -0.04 2.03 2.31 1ozhA1 PRO 221 HG3 -0.02 0.11 0.18 -0.04 2.03 2.25 1ozhA1 PRO 221 HD2 -0.01 0.04 0.26 -0.04 3.68 3.92 1ozhA1 PRO 221 HD3 -0.02 0.26 0.34 -0.04 3.65 4.18 1ozhA1 GLU 222 H -0.02 0.23 -0.11 -0.55 8.60 8.16 1ozhA1 GLU 222 HA -0.02 0.08 0.41 -0.75 4.29 4.00 1ozhA1 GLU 222 HB2 -0.01 -0.09 -0.02 -0.04 2.09 1.93 1ozhA1 GLU 222 HB3 -0.01 0.05 0.13 -0.04 1.99 2.12 1ozhA1 GLU 222 HG2 -0.01 0.13 0.11 -0.04 2.34 2.53 1ozhA1 GLU 222 HG3 -0.01 -0.14 0.01 -0.04 2.34 2.15 1ozhA1 ASN 223 H -0.03 0.50 -0.58 -0.55 8.53 7.88 1ozhA1 ASN 223 HA -0.04 0.01 0.87 -0.75 4.76 4.85 1ozhA1 ASN 223 HB2 -0.04 0.34 0.02 -0.04 2.88 3.16 1ozhA1 ASN 223 HB3 -0.05 -0.10 0.08 -0.04 2.79 2.68 1ozhA1 ASN 223 HD21 -0.01 -0.12 0.03 -0.04 7.03 6.88 1ozhA1 ASN 223 HD22 -0.02 0.52 0.13 -0.04 7.74 8.32 1ozhA1 SER 224 H -0.04 0.45 -0.15 -0.55 8.46 8.18 1ozhA1 SER 224 HA -0.06 0.14 0.39 -0.75 4.49 4.21 1ozhA1 SER 224 HB2 -0.04 0.06 0.19 -0.04 3.95 4.13 1ozhA1 SER 224 HB3 -0.03 -0.00 0.25 -0.04 3.93 4.10 1ozhA1 LYS 225 H -0.03 0.22 -0.03 -0.55 8.42 8.02 1ozhA1 LYS 225 HA -0.04 0.09 0.42 -0.75 4.32 4.04 1ozhA1 ALA 226 H -0.04 0.10 -0.30 -0.55 8.40 7.61 1ozhA1 ALA 226 HA -0.04 0.03 0.34 -0.75 4.34 3.92 1ozhA1 ALA 226 HB3 -0.05 0.02 0.10 -0.04 1.41 1.44 1ozhA1 LEU 227 H -0.08 0.72 -0.11 -0.55 8.37 8.35 1ozhA1 LEU 227 HA -0.18 -0.07 0.38 -0.75 4.35 3.73 1ozhA1 LEU 227 HB2 -0.13 0.01 0.13 -0.04 1.64 1.61 1ozhA1 LEU 227 HB3 -0.11 0.20 0.20 -0.04 1.64 1.89 1ozhA1 LEU 227 HG -0.20 -0.02 -0.24 -0.04 1.64 1.14 1ozhA1 LEU 227 HD13 -0.29 -0.05 -0.02 -0.04 0.93 0.53 1ozhA1 LEU 227 HD23 -0.12 0.04 -0.06 -0.04 0.89 0.70 1ozhA1 ARG 228 H -0.09 0.60 -0.04 -0.55 8.46 8.38 1ozhA1 ARG 228 HA -0.12 0.00 0.39 -0.75 4.34 3.86 1ozhA1 ARG 229 H -0.05 0.61 -0.15 -0.55 8.46 8.31 1ozhA1 ARG 229 HA -0.01 -0.01 0.40 -0.75 4.34 3.97 1ozhA1 ARG 229 HB2 -0.02 -0.00 0.10 -0.04 1.90 1.93 1ozhA1 ARG 229 HB3 -0.04 0.11 0.13 -0.04 1.80 1.96 1ozhA1 ARG 229 HG2 -0.01 0.01 -0.18 -0.04 1.67 1.45 1ozhA1 ARG 229 HG3 -0.01 -0.03 0.02 -0.04 1.67 1.61 1ozhA1 ARG 229 HD2 -0.01 -0.05 -0.03 -0.04 3.22 3.09 1ozhA1 ARG 229 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.13 1ozhA1 LEU 230 H -0.08 0.55 -0.14 -0.55 8.37 8.14 1ozhA1 LEU 230 HA -0.02 0.03 0.46 -0.75 4.35 4.07 1ozhA1 LEU 230 HB2 -0.10 0.02 0.09 -0.04 1.64 1.60 1ozhA1 LEU 230 HB3 -0.21 0.13 0.16 -0.04 1.64 1.68 1ozhA1 LEU 230 HG -0.15 -0.01 -0.23 -0.04 1.64 1.21 1ozhA1 LEU 230 HD13 0.08 0.00 -0.04 -0.04 0.93 0.93 1ozhA1 LEU 230 HD23 -0.32 -0.03 -0.06 -0.04 0.89 0.44 1ozhA1 LEU 231 H -0.15 0.66 -0.03 -0.55 8.37 8.31 1ozhA1 LEU 231 HA 0.00 -0.03 0.47 -0.75 4.35 4.04 1ozhA1 LEU 231 HB2 -0.27 0.11 0.13 -0.04 1.64 1.57 1ozhA1 LEU 231 HB3 -0.80 -0.06 0.01 -0.04 1.64 0.75 1ozhA1 LEU 231 HG -0.34 0.19 0.00 -0.04 1.64 1.46 1ozhA1 LEU 231 HD13 -0.55 -0.02 -0.11 -0.04 0.93 0.20 1ozhA1 LEU 231 HD23 -0.35 -0.02 -0.09 -0.04 0.89 0.40 1ozhA1 GLU 232 H 0.01 0.70 -0.07 -0.55 8.60 8.69 1ozhA1 GLU 232 HA 0.29 -0.02 0.41 -0.75 4.29 4.21 1ozhA1 GLU 232 HB2 0.07 -0.01 0.12 -0.04 2.09 2.23 1ozhA1 GLU 232 HB3 0.03 0.09 0.17 -0.04 1.99 2.24 1ozhA1 GLU 232 HG2 0.04 0.03 -0.19 -0.04 2.34 2.18 1ozhA1 GLU 232 HG3 0.11 -0.05 0.05 -0.04 2.34 2.41 1ozhA1 THR 233 H 0.04 0.42 -0.26 -0.55 8.28 7.94 1ozhA1 THR 233 HA -0.02 0.04 0.48 -0.75 4.39 4.14 1ozhA1 THR 233 HB 0.02 -0.01 0.14 -0.04 4.32 4.43 1ozhA1 THR 233 HG23 -0.00 0.03 -0.10 -0.04 1.22 1.10 1ozhA1 SER 234 H 0.11 0.46 -0.04 -0.55 8.46 8.44 1ozhA1 SER 234 HA 0.02 0.26 0.78 -0.75 4.49 4.80 1ozhA1 SER 234 HB2 0.10 -0.07 0.02 -0.04 3.95 3.97 1ozhA1 SER 234 HB3 0.11 0.00 0.01 -0.04 3.93 4.01 1ozhA1 HIS 235 H 0.35 0.65 0.02 -0.55 8.41 8.88 1ozhA1 HIS 235 HA 0.38 0.06 0.31 -0.75 4.63 4.62 1ozhA1 HIS 235 HB2 0.08 -0.00 -0.30 -0.04 3.26 2.99 1ozhA1 HIS 235 HB3 0.07 -0.05 0.23 -0.04 3.20 3.40 1ozhA1 HIS 235 HD2 0.22 0.28 0.10 -0.04 6.97 7.53 1ozhA1 HIS 235 HE1 0.03 -0.07 0.01 -0.04 7.75 7.67 1ozhA1 ILE 236 H 0.35 0.03 -0.32 -0.55 8.25 7.75 1ozhA1 ILE 236 HA 0.10 0.16 0.56 -0.75 4.18 4.24 1ozhA1 ILE 236 HB 0.21 -0.08 -0.05 -0.04 1.89 1.93 1ozhA1 ILE 236 HG12 -0.04 0.05 -0.08 -0.04 1.49 1.37 1ozhA1 ILE 236 HG13 0.08 0.06 -0.21 -0.04 1.21 1.10 1ozhA1 ILE 236 HG23 -0.36 0.04 -0.28 -0.04 0.93 0.29 1ozhA1 ILE 236 HD13 -0.12 -0.02 -0.09 -0.04 0.88 0.61 1ozhA1 PRO 237 HA 0.22 0.15 0.42 -0.51 4.44 4.72 1ozhA1 PRO 237 HB2 0.01 -0.03 0.08 -0.04 2.28 2.30 1ozhA1 PRO 237 HB3 0.01 0.03 0.08 -0.04 2.02 2.11 1ozhA1 PRO 237 HG2 -0.01 -0.00 0.10 -0.04 2.03 2.08 1ozhA1 PRO 237 HG3 0.00 0.03 0.09 -0.04 2.03 2.11 1ozhA1 PRO 237 HD2 -0.02 0.27 0.16 -0.04 3.68 4.05 1ozhA1 PRO 237 HD3 0.04 0.19 0.26 -0.04 3.65 4.10 1ozhA1 VAL 238 H 0.27 0.43 0.23 -0.55 8.24 8.62 1ozhA1 VAL 238 HA 0.17 0.25 1.09 -0.75 4.13 4.89 1ozhA1 VAL 238 HB 0.38 -0.08 -0.00 -0.04 2.12 2.38 1ozhA1 VAL 238 HG13 0.13 -0.02 -0.29 -0.04 0.97 0.75 1ozhA1 VAL 238 HG23 0.09 0.05 -0.18 -0.04 0.95 0.87 1ozhA1 THR 239 H -0.01 0.71 0.39 -0.55 8.28 8.83 1ozhA1 THR 239 HA -0.25 0.18 0.81 -0.75 4.39 4.38 1ozhA1 THR 239 HB -0.15 -0.00 -0.11 -0.04 4.32 4.02 1ozhA1 THR 239 HG23 -0.20 0.04 -0.13 -0.04 1.22 0.89 1ozhA1 SER 240 H -0.15 0.41 0.29 -0.55 8.46 8.46 1ozhA1 SER 240 HA -0.09 0.16 1.05 -0.75 4.49 4.85 1ozhA1 SER 240 HB2 0.03 -0.02 -0.16 -0.04 3.95 3.77 1ozhA1 SER 240 HB3 -0.02 0.04 -0.08 -0.04 3.93 3.84 1ozhA1 THR 241 H -0.06 0.58 0.28 -0.55 8.28 8.53 1ozhA1 THR 241 HA -0.17 0.30 0.63 -0.75 4.39 4.39 1ozhA1 THR 241 HB 0.10 0.09 0.18 -0.04 4.32 4.65 1ozhA1 THR 241 HG23 0.16 0.07 -0.02 -0.04 1.22 1.40 1ozhA1 TYR 242 H 0.09 0.28 0.22 -0.55 8.29 8.33 1ozhA1 TYR 242 HA 0.02 0.15 0.43 -0.75 4.56 4.40 1ozhA1 TYR 242 HB2 0.02 0.04 0.14 -0.04 3.06 3.22 1ozhA1 TYR 242 HB3 0.03 -0.05 0.06 -0.04 2.98 2.98 1ozhA1 TYR 242 HD2 -0.01 0.05 -0.00 -0.04 7.15 7.14 1ozhA1 TYR 242 HE2 -0.02 -0.09 -0.18 -0.04 6.85 6.53 1ozhA1 GLN 243 H 0.09 0.08 -0.15 -0.55 8.47 7.94 1ozhA1 GLN 243 HA 0.05 0.11 0.52 -0.75 4.36 4.29 1ozhA1 GLN 243 HB2 0.05 -0.17 0.11 -0.04 2.15 2.11 1ozhA1 GLN 243 HB3 0.03 0.16 0.13 -0.04 2.02 2.30 1ozhA1 GLN 243 HG2 0.06 -0.02 0.08 -0.04 2.40 2.47 1ozhA1 GLN 243 HG3 0.07 -0.07 0.12 -0.04 2.39 2.47 1ozhA1 GLN 243 HE21 0.01 0.30 0.12 -0.04 6.97 7.36 1ozhA1 GLN 243 HE22 0.04 -0.17 0.07 -0.04 7.69 7.58 1ozhA1 ALA 244 H 0.01 0.16 -0.53 -0.55 8.40 7.49 1ozhA1 ALA 244 HA -0.01 0.28 0.72 -0.75 4.34 4.57 1ozhA1 ALA 244 HB3 -0.01 0.00 -0.30 -0.04 1.41 1.07 1ozhA1 ALA 245 H 0.00 0.36 -0.49 -0.55 8.40 7.73 1ozhA1 ALA 245 HA -0.02 0.01 0.28 -0.75 4.34 3.86 1ozhA1 ALA 245 HB3 0.05 -0.03 0.10 -0.04 1.41 1.49 1ozhA1 GLY 246 H -0.03 0.11 -0.31 -0.55 8.43 7.66 1ozhA1 GLY 246 HA2 -0.05 0.14 0.45 -0.51 4.01 4.03 1ozhA1 GLY 246 HA3 -0.04 0.02 0.25 -0.51 4.01 3.73 1ozhA1 ALA 247 H -0.05 0.35 -0.39 -0.55 8.40 7.77 1ozhA1 ALA 247 HA -0.07 0.12 0.39 -0.75 4.34 4.02 1ozhA1 ALA 247 HB3 -0.06 -0.02 -0.08 -0.04 1.41 1.22 1ozhA1 VAL 248 H -0.13 0.31 -0.16 -0.55 8.24 7.72 1ozhA1 VAL 248 HA -0.17 0.17 0.62 -0.75 4.13 4.00 1ozhA1 VAL 248 HB -0.08 -0.08 -0.16 -0.04 2.12 1.76 1ozhA1 VAL 248 HG13 -0.12 0.01 -0.13 -0.04 0.97 0.69 1ozhA1 VAL 248 HG23 -0.13 0.00 -0.34 -0.04 0.95 0.44 1ozhA1 ASN 249 H -0.29 0.21 0.10 -0.55 8.53 8.01 1ozhA1 ASN 249 HA -1.09 0.15 0.67 -0.75 4.76 3.74 1ozhA1 ASN 249 HB2 -0.19 0.15 -0.25 -0.04 2.88 2.55 1ozhA1 ASN 249 HB3 -0.13 -0.07 -0.04 -0.04 2.79 2.52 1ozhA1 ASN 249 HD21 0.07 0.22 0.09 -0.04 7.03 7.37 1ozhA1 ASN 249 HD22 0.00 0.04 0.02 -0.04 7.74 7.76 1ozhA1 GLN 250 H -0.08 0.19 0.16 -0.55 8.47 8.19 1ozhA1 GLN 250 HA 0.21 0.11 0.38 -0.75 4.36 4.31 1ozhA1 GLN 250 HB2 0.33 -0.10 0.17 -0.04 2.15 2.51 1ozhA1 GLN 250 HB3 0.18 0.21 0.15 -0.04 2.02 2.53 1ozhA1 GLN 250 HG2 0.09 -0.01 -0.01 -0.04 2.40 2.43 1ozhA1 GLN 250 HG3 0.09 0.02 -0.08 -0.04 2.39 2.38 1ozhA1 GLN 250 HE21 0.02 0.14 0.06 -0.04 6.97 7.15 1ozhA1 GLN 250 HE22 0.03 -0.04 0.06 -0.04 7.69 7.70 1ozhA1 ASP 251 H 0.01 0.13 -0.27 -0.55 8.40 7.72 1ozhA1 ASP 251 HA 0.03 0.14 0.51 -0.75 4.63 4.55 1ozhA1 ASP 251 HB2 0.02 -0.00 0.08 -0.04 2.71 2.77 1ozhA1 ASP 251 HB3 0.04 0.04 0.02 -0.04 2.70 2.76 1ozhA1 ASN 252 H -0.01 0.39 -0.26 -0.55 8.53 8.10 1ozhA1 ASN 252 HA 0.03 0.24 0.98 -0.75 4.76 5.26 1ozhA1 ASN 252 HB2 0.01 0.00 0.15 -0.04 2.88 3.00 1ozhA1 ASN 252 HB3 -0.01 0.03 -0.04 -0.04 2.79 2.73 1ozhA1 ASN 252 HD21 -0.12 -0.03 -0.08 -0.04 7.03 6.77 1ozhA1 ASN 252 HD22 -0.05 0.07 -0.08 -0.04 7.74 7.64 1ozhA1 PHE 253 H 0.10 0.34 -0.19 -0.55 8.34 8.03 1ozhA1 PHE 253 HA -0.03 0.10 0.60 -0.75 4.62 4.54 1ozhA1 PHE 253 HB2 -0.02 0.12 -0.26 -0.04 3.15 2.95 1ozhA1 PHE 253 HB3 0.03 -0.05 0.01 -0.04 3.06 3.01 1ozhA1 PHE 253 HD2 0.07 0.02 -0.11 -0.04 7.28 7.22 1ozhA1 PHE 253 HE2 0.05 0.08 -0.16 -0.04 7.38 7.30 1ozhA1 PHE 253 HZ 0.08 0.11 -0.31 -0.04 7.32 7.16 1ozhA1 SER 254 H -0.26 0.20 0.06 -0.55 8.46 7.90 1ozhA1 SER 254 HA -0.11 0.16 0.40 -0.75 4.49 4.18 1ozhA1 SER 254 HB2 -0.15 0.01 0.10 -0.04 3.95 3.87 1ozhA1 SER 254 HB3 -0.15 0.02 0.10 -0.04 3.93 3.86 1ozhA1 ARG 255 H -1.31 0.04 -0.48 -0.55 8.46 6.17 1ozhA1 ARG 255 HA -0.22 0.24 0.84 -0.75 4.34 4.44 1ozhA1 ARG 255 HB2 -0.78 0.04 -0.16 -0.04 1.90 0.95 1ozhA1 ARG 255 HB3 -0.15 -0.05 0.06 -0.04 1.80 1.63 1ozhA1 ARG 255 HG2 -0.23 0.02 -0.16 -0.04 1.67 1.26 1ozhA1 ARG 255 HG3 -0.54 -0.11 -0.20 -0.04 1.67 0.78 1ozhA1 ARG 255 HD2 -0.15 0.15 -0.08 -0.04 3.22 3.09 1ozhA1 ARG 255 HD3 -0.07 -0.03 -0.03 -0.04 3.22 3.05 1ozhA1 PHE 256 H 0.07 0.46 -0.29 -0.55 8.34 8.03 1ozhA1 PHE 256 HA 0.21 0.08 0.53 -0.75 4.62 4.69 1ozhA1 PHE 256 HB2 0.21 0.09 -0.05 -0.04 3.15 3.36 1ozhA1 PHE 256 HB3 0.05 0.04 0.02 -0.04 3.06 3.13 1ozhA1 PHE 256 HD2 0.07 0.05 -0.13 -0.04 7.28 7.23 1ozhA1 PHE 256 HE2 0.02 -0.00 -0.12 -0.04 7.38 7.23 1ozhA1 PHE 256 HZ -0.03 0.02 -0.16 -0.04 7.32 7.12 1ozhA1 ALA 257 H -0.51 0.75 0.37 -0.55 8.40 8.47 1ozhA1 ALA 257 HA -0.26 0.21 0.87 -0.75 4.34 4.41 1ozhA1 ALA 257 HB3 -0.17 -0.02 -0.12 -0.04 1.41 1.06 1ozhA1 GLY 258 H -2.17 0.11 -0.10 -0.55 8.43 5.72 1ozhA1 GLY 258 HA2 -0.41 0.05 0.34 -0.51 4.01 3.48 1ozhA1 GLY 258 HA3 -0.29 0.10 0.61 -0.51 4.01 3.91 1ozhA1 ARG 259 H -0.04 0.14 0.19 -0.55 8.46 8.19 1ozhA1 ARG 259 HA -0.24 0.24 0.91 -0.75 4.34 4.50 1ozhA1 ARG 259 HB2 -0.23 -0.05 0.14 -0.04 1.90 1.71 1ozhA1 ARG 259 HB3 -1.10 -0.03 -0.08 -0.04 1.80 0.55 1ozhA1 ARG 259 HG2 -0.30 0.06 -0.23 -0.04 1.67 1.17 1ozhA1 ARG 259 HG3 0.05 -0.01 -0.13 -0.04 1.67 1.54 1ozhA1 ARG 259 HD2 -0.02 -0.07 0.01 -0.04 3.22 3.10 1ozhA1 ARG 259 HD3 0.04 0.15 0.06 -0.04 3.22 3.43 1ozhA1 VAL 260 H -0.34 0.65 0.27 -0.55 8.24 8.27 1ozhA1 VAL 260 HA -0.18 0.10 0.98 -0.75 4.13 4.27 1ozhA1 VAL 260 HB -0.48 0.03 -0.07 -0.04 2.12 1.56 1ozhA1 VAL 260 HG13 -0.12 0.02 -0.22 -0.04 0.97 0.61 1ozhA1 VAL 260 HG23 -0.35 0.02 -0.17 -0.04 0.95 0.42 1ozhA1 GLY 261 H -0.21 0.17 0.12 -0.55 8.43 7.97 1ozhA1 GLY 261 HA2 -0.42 0.05 0.31 -0.51 4.01 3.44 1ozhA1 GLY 261 HA3 -0.15 0.22 0.93 -0.51 4.01 4.51 1ozhA1 LEU 262 H 0.07 0.04 0.05 -0.55 8.37 7.98 1ozhA1 LEU 262 HA -0.18 0.21 1.03 -0.75 4.35 4.66 1ozhA1 LEU 262 HB2 -0.32 0.01 -0.08 -0.04 1.64 1.20 1ozhA1 LEU 262 HB3 -0.75 0.02 0.08 -0.04 1.64 0.95 1ozhA1 LEU 262 HG -0.91 -0.03 -0.07 -0.04 1.64 0.60 1ozhA1 LEU 262 HD13 -0.35 0.00 0.02 -0.04 0.93 0.57 1ozhA1 LEU 262 HD23 -0.55 -0.00 -0.07 -0.04 0.89 0.23 1ozhA1 PHE 263 H -0.10 0.07 0.19 -0.55 8.34 7.96 1ozhA1 PHE 263 HA -0.22 0.30 0.96 -0.75 4.62 4.90 1ozhA1 PHE 263 HB2 -0.09 -0.03 0.12 -0.04 3.15 3.11 1ozhA1 PHE 263 HB3 -0.13 0.06 0.11 -0.04 3.06 3.07 1ozhA1 PHE 263 HD2 -0.05 0.07 -0.07 -0.04 7.28 7.20 1ozhA1 PHE 263 HE2 -0.05 0.02 -0.22 -0.04 7.38 7.09 1ozhA1 PHE 263 HZ -0.08 0.16 -0.03 -0.04 7.32 7.33 1ozhA1 ASN 264 H -0.08 0.93 0.24 -0.55 8.53 9.07 1ozhA1 ASN 264 HA -0.30 0.11 0.64 -0.75 4.76 4.46 1ozhA1 ASN 264 HB2 0.05 0.01 0.11 -0.04 2.88 3.00 1ozhA1 ASN 264 HB3 -0.08 -0.04 -0.23 -0.04 2.79 2.40 1ozhA1 ASN 264 HD21 -0.00 0.28 -0.01 -0.04 7.03 7.25 1ozhA1 ASN 264 HD22 0.00 0.16 -0.21 -0.04 7.74 7.65 1ozhA1 ASN 265 H 0.00 0.06 -0.33 -0.55 8.53 7.71 1ozhA1 ASN 265 HA 0.00 0.25 0.81 -0.75 4.76 5.07 1ozhA1 ASN 265 HB2 -0.04 0.01 0.18 -0.04 2.88 2.99 1ozhA1 ASN 265 HB3 -0.02 0.07 -0.05 -0.04 2.79 2.75 1ozhA1 ASN 265 HD21 -0.09 -0.01 0.02 -0.04 7.03 6.91 1ozhA1 ASN 265 HD22 -0.05 0.03 -0.00 -0.04 7.74 7.68 1ozhA1 GLN 266 H 0.01 0.18 -0.11 -0.55 8.47 8.01 1ozhA1 GLN 266 HA -0.06 0.21 0.78 -0.75 4.36 4.53 1ozhA1 GLN 266 HB2 0.00 -0.06 0.11 -0.04 2.15 2.16 1ozhA1 GLN 266 HB3 -0.07 0.02 0.05 -0.04 2.02 1.97 1ozhA1 GLN 266 HG2 0.07 -0.11 -0.02 -0.04 2.40 2.29 1ozhA1 GLN 266 HG3 0.04 0.11 0.15 -0.04 2.39 2.65 1ozhA1 GLN 266 HE21 0.02 -0.03 0.13 -0.04 6.97 7.05 1ozhA1 GLN 266 HE22 0.05 0.59 0.21 -0.04 7.69 8.50 1ozhA1 ALA 267 H -0.10 0.27 0.21 -0.55 8.40 8.24 1ozhA1 ALA 267 HA -0.04 0.05 0.41 -0.75 4.34 4.00 1ozhA1 ALA 267 HB3 -0.10 0.05 0.08 -0.04 1.41 1.41 1ozhA1 GLY 268 H -0.12 0.27 -0.16 -0.55 8.43 7.88 1ozhA1 GLY 268 HA2 -0.11 0.10 0.30 -0.51 4.01 3.79 1ozhA1 GLY 268 HA3 -0.14 0.07 0.15 -0.51 4.01 3.58 1ozhA1 ASP 269 H 0.00 0.13 -0.29 -0.55 8.40 7.70 1ozhA1 ASP 269 HA 0.12 0.06 0.38 -0.75 4.63 4.43 1ozhA1 ASP 269 HB2 0.10 0.10 0.07 -0.04 2.71 2.94 1ozhA1 ASP 269 HB3 0.16 0.09 -0.04 -0.04 2.70 2.87 1ozhA1 ARG 270 H 0.02 0.34 -0.21 -0.55 8.46 8.06 1ozhA1 ARG 270 HA 0.04 0.05 0.40 -0.75 4.34 4.07 1ozhA1 ARG 270 HB2 -0.01 0.10 0.11 -0.04 1.90 2.06 1ozhA1 ARG 270 HB3 0.01 -0.03 0.01 -0.04 1.80 1.74 1ozhA1 ARG 270 HG2 0.02 -0.01 -0.02 -0.04 1.67 1.62 1ozhA1 ARG 270 HG3 0.01 0.16 -0.04 -0.04 1.67 1.76 1ozhA1 ARG 270 HD2 -0.00 0.01 -0.11 -0.04 3.22 3.08 1ozhA1 ARG 270 HD3 -0.01 -0.02 -0.06 -0.04 3.22 3.09 1ozhA1 LEU 271 H -0.01 0.62 -0.25 -0.55 8.37 8.18 1ozhA1 LEU 271 HA -0.00 -0.00 0.44 -0.75 4.35 4.03 1ozhA1 LEU 271 HB2 -0.04 0.11 0.08 -0.04 1.64 1.75 1ozhA1 LEU 271 HB3 -0.03 0.01 -0.07 -0.04 1.64 1.51 1ozhA1 LEU 271 HG -0.03 0.02 -0.01 -0.04 1.64 1.58 1ozhA1 LEU 271 HD13 -0.05 -0.01 -0.11 -0.04 0.93 0.72 1ozhA1 LEU 271 HD23 -0.02 0.00 0.00 -0.04 0.89 0.84 1ozhA1 LEU 272 H 0.03 0.38 -0.25 -0.55 8.37 7.99 1ozhA1 LEU 272 HA 0.06 0.03 0.40 -0.75 4.35 4.09 1ozhA1 LEU 272 HB2 0.15 0.07 0.15 -0.04 1.64 1.96 1ozhA1 LEU 272 HB3 0.34 0.01 -0.06 -0.04 1.64 1.89 1ozhA1 LEU 272 HG -0.10 0.16 -0.08 -0.04 1.64 1.57 1ozhA1 LEU 272 HD13 -0.36 -0.05 -0.18 -0.04 0.93 0.30 1ozhA1 LEU 272 HD23 -0.19 -0.01 -0.15 -0.04 0.89 0.49 1ozhA1 GLN 273 H 0.08 0.40 -0.23 -0.55 8.47 8.18 1ozhA1 GLN 273 HA 0.09 0.04 0.51 -0.75 4.36 4.25 1ozhA1 GLN 273 HB2 0.07 0.10 0.19 -0.04 2.15 2.46 1ozhA1 GLN 273 HB3 0.05 -0.04 -0.05 -0.04 2.02 1.93 1ozhA1 GLN 273 HG2 0.05 -0.06 -0.01 -0.04 2.40 2.34 1ozhA1 GLN 273 HG3 0.05 -0.05 0.03 -0.04 2.39 2.38 1ozhA1 GLN 273 HE21 0.17 -0.06 0.04 -0.04 6.97 7.07 1ozhA1 GLN 273 HE22 0.10 -0.06 -0.12 -0.04 7.69 7.57 1ozhA1 LEU 274 H 0.04 0.40 -0.16 -0.55 8.37 8.10 1ozhA1 LEU 274 HA 0.02 0.03 0.49 -0.75 4.35 4.14 1ozhA1 LEU 274 HB2 0.01 -0.06 0.06 -0.04 1.64 1.61 1ozhA1 LEU 274 HB3 0.01 0.09 0.12 -0.04 1.64 1.82 1ozhA1 LEU 274 HG 0.01 0.04 -0.21 -0.04 1.64 1.44 1ozhA1 LEU 274 HD13 0.01 -0.02 0.05 -0.04 0.93 0.93 1ozhA1 LEU 274 HD23 -0.00 -0.05 -0.11 -0.04 0.89 0.69 1ozhA1 ALA 275 H 0.04 0.19 -0.52 -0.55 8.40 7.57 1ozhA1 ALA 275 HA 0.01 0.14 0.45 -0.75 4.34 4.19 1ozhA1 ALA 275 HB3 0.04 0.04 -0.01 -0.04 1.41 1.44 1ozhA1 ASP 276 H 0.00 0.22 0.25 -0.55 8.40 8.33 1ozhA1 ASP 276 HA 0.02 0.18 0.80 -0.75 4.63 4.87 1ozhA1 ASP 276 HB2 0.01 0.02 0.18 -0.04 2.71 2.88 1ozhA1 ASP 276 HB3 0.01 0.08 0.10 -0.04 2.70 2.85 1ozhA1 LEU 277 H 0.00 0.20 0.07 -0.55 8.37 8.09 1ozhA1 LEU 277 HA 0.02 0.25 0.72 -0.75 4.35 4.59 1ozhA1 LEU 277 HB2 -0.01 0.08 -0.12 -0.04 1.64 1.55 1ozhA1 LEU 277 HB3 -0.04 -0.09 0.02 -0.04 1.64 1.48 1ozhA1 LEU 277 HG -0.05 -0.05 -0.37 -0.04 1.64 1.12 1ozhA1 LEU 277 HD13 0.01 0.06 -0.06 -0.04 0.93 0.90 1ozhA1 LEU 277 HD23 -0.05 0.02 -0.25 -0.04 0.89 0.58 1ozhA1 VAL 278 H 0.06 0.69 0.20 -0.55 8.24 8.63 1ozhA1 VAL 278 HA -0.01 0.32 1.06 -0.75 4.13 4.74 1ozhA1 VAL 278 HB 0.22 -0.06 0.04 -0.04 2.12 2.28 1ozhA1 VAL 278 HG13 0.05 -0.01 -0.22 -0.04 0.97 0.75 1ozhA1 VAL 278 HG23 0.16 0.00 -0.20 -0.04 0.95 0.87 1ozhA1 ILE 279 H -0.04 0.73 0.31 -0.55 8.25 8.70 1ozhA1 ILE 279 HA 0.10 0.16 1.11 -0.75 4.18 4.81 1ozhA1 ILE 279 HB 0.11 0.01 0.10 -0.04 1.89 2.07 1ozhA1 ILE 279 HG12 0.04 -0.01 -0.16 -0.04 1.49 1.32 1ozhA1 ILE 279 HG13 -0.08 -0.03 -0.30 -0.04 1.21 0.75 1ozhA1 ILE 279 HG23 0.24 -0.01 -0.20 -0.04 0.93 0.92 1ozhA1 ILE 279 HD13 -0.03 0.01 -0.13 -0.04 0.88 0.69 1ozhA1 CYS 280 H 0.17 0.72 0.37 -0.55 8.50 9.21 1ozhA1 CYS 280 HA 0.03 0.28 0.95 -0.75 4.58 5.08 1ozhA1 CYS 280 HB2 0.39 -0.05 0.22 -0.04 2.97 3.48 1ozhA1 CYS 280 HB3 0.28 -0.07 0.03 -0.04 2.97 3.17 1ozhA1 ILE 281 H 0.04 0.63 0.37 -0.55 8.25 8.74 1ozhA1 ILE 281 HA -0.01 0.29 1.14 -0.75 4.18 4.85 1ozhA1 ILE 281 HB -0.05 -0.02 0.15 -0.04 1.89 1.93 1ozhA1 ILE 281 HG12 -0.01 0.02 -0.19 -0.04 1.49 1.27 1ozhA1 ILE 281 HG13 0.07 0.01 -0.43 -0.04 1.21 0.82 1ozhA1 ILE 281 HG23 -0.07 -0.01 -0.12 -0.04 0.93 0.69 1ozhA1 ILE 281 HD13 -0.34 0.01 -0.10 -0.04 0.88 0.42 1ozhA1 GLY 282 H -0.03 0.86 0.41 -0.55 8.43 9.12 1ozhA1 GLY 282 HA2 0.03 0.01 0.42 -0.51 4.01 3.96 1ozhA1 GLY 282 HA3 0.03 -0.04 0.40 -0.51 4.01 3.88 1ozhA1 TYR 283 H 0.17 0.18 -0.32 -0.55 8.29 7.77 1ozhA1 TYR 283 HA 0.04 0.03 0.88 -0.75 4.56 4.76 1ozhA1 TYR 283 HB2 0.01 0.05 -0.24 -0.04 3.06 2.84 1ozhA1 TYR 283 HB3 0.09 -0.01 -0.11 -0.04 2.98 2.90 1ozhA1 TYR 283 HD2 0.09 -0.05 -0.17 -0.04 7.15 6.98 1ozhA1 TYR 283 HE2 -0.12 -0.01 -0.18 -0.04 6.85 6.50 1ozhA1 SER 284 H -0.43 0.19 0.19 -0.55 8.46 7.86 1ozhA1 SER 284 HA -0.29 0.23 0.80 -0.75 4.49 4.48 1ozhA1 SER 284 HB2 -0.15 0.09 -0.07 -0.04 3.95 3.78 1ozhA1 SER 284 HB3 -0.25 -0.04 0.12 -0.04 3.93 3.72 1ozhA1 PRO 285 HA -0.23 0.13 0.29 -0.51 4.44 4.13 1ozhA1 PRO 285 HB2 -0.13 0.07 -0.00 -0.04 2.28 2.18 1ozhA1 PRO 285 HB3 -0.11 -0.01 0.05 -0.04 2.02 1.91 1ozhA1 PRO 285 HG2 -0.06 0.22 -0.02 -0.04 2.03 2.13 1ozhA1 PRO 285 HG3 -0.75 0.03 -0.01 -0.04 2.03 1.26 1ozhA1 PRO 285 HD2 -0.17 0.16 0.18 -0.04 3.68 3.81 1ozhA1 PRO 285 HD3 -0.42 0.15 0.12 -0.04 3.65 3.46 1ozhA1 VAL 286 H -0.23 0.09 -0.50 -0.55 8.24 7.04 1ozhA1 VAL 286 HA -0.05 0.06 0.33 -0.75 4.13 3.71 1ozhA1 VAL 286 HB -0.14 0.01 0.05 -0.04 2.12 2.01 1ozhA1 VAL 286 HG13 -0.16 -0.00 -0.08 -0.04 0.97 0.69 1ozhA1 VAL 286 HG23 -0.05 0.01 -0.00 -0.04 0.95 0.88 1ozhA1 GLU 287 H -0.12 0.60 -0.16 -0.55 8.60 8.38 1ozhA1 GLU 287 HA 0.08 0.07 0.52 -0.75 4.29 4.20 1ozhA1 GLU 287 HB2 0.20 0.07 0.10 -0.04 2.09 2.42 1ozhA1 GLU 287 HB3 0.15 -0.17 0.16 -0.04 1.99 2.10 1ozhA1 GLU 287 HG2 0.02 0.08 0.11 -0.04 2.34 2.51 1ozhA1 GLU 287 HG3 -0.08 0.06 0.17 -0.04 2.34 2.44 1ozhA1 TYR 288 H 0.25 0.35 -0.44 -0.55 8.29 7.90 1ozhA1 TYR 288 HA 0.14 0.03 0.43 -0.75 4.56 4.41 1ozhA1 TYR 288 HB2 0.14 0.12 -0.09 -0.04 3.06 3.19 1ozhA1 TYR 288 HB3 0.24 -0.07 -0.11 -0.04 2.98 3.00 1ozhA1 TYR 288 HD2 -0.06 0.00 -0.09 -0.04 7.15 6.95 1ozhA1 TYR 288 HE2 0.02 0.02 -0.16 -0.04 6.85 6.69 1ozhA1 GLU 289 H 0.12 0.13 0.03 -0.55 8.60 8.33 1ozhA1 GLU 289 HA -0.02 0.13 0.38 -0.75 4.29 4.04 1ozhA1 GLU 289 HB2 -0.01 0.07 0.11 -0.04 2.09 2.21 1ozhA1 GLU 289 HB3 -0.09 0.00 0.08 -0.04 1.99 1.94 1ozhA1 GLU 289 HG2 -0.07 0.08 -0.05 -0.04 2.34 2.26 1ozhA1 GLU 289 HG3 -0.13 -0.18 -0.23 -0.04 2.34 1.76 1ozhA1 PRO 290 HA -0.83 0.05 0.45 -0.51 4.44 3.61 1ozhA1 PRO 290 HB2 -0.19 -0.07 -0.10 -0.04 2.28 1.88 1ozhA1 PRO 290 HB3 -0.32 0.18 0.02 -0.04 2.02 1.86 1ozhA1 PRO 290 HG2 -0.05 -0.02 -0.01 -0.04 2.03 1.91 1ozhA1 PRO 290 HG3 0.13 0.07 0.07 -0.04 2.03 2.26 1ozhA1 PRO 290 HD2 -0.06 0.02 0.16 -0.04 3.68 3.76 1ozhA1 PRO 290 HD3 0.03 0.33 0.16 -0.04 3.65 4.13 1ozhA1 ALA 291 H -0.19 0.05 -0.43 -0.55 8.40 7.28 1ozhA1 ALA 291 HA -0.21 0.16 0.35 -0.75 4.34 3.88 1ozhA1 ALA 291 HB3 -0.11 -0.01 0.03 -0.04 1.41 1.28 1ozhA1 MET 292 H -0.35 0.18 -0.85 -0.55 8.47 6.90 1ozhA1 MET 292 HA -0.12 0.24 0.87 -0.75 4.52 4.76 1ozhA1 MET 292 HB2 -0.32 0.10 -0.08 -0.04 2.15 1.81 1ozhA1 MET 292 HB3 -0.16 -0.05 0.03 -0.04 2.03 1.82 1ozhA1 MET 292 HG2 -0.13 0.11 -0.13 -0.04 2.63 2.44 1ozhA1 MET 292 HG3 -0.15 -0.11 -0.42 -0.04 2.56 1.84 1ozhA1 MET 292 HE3 -0.46 -0.00 -0.06 -0.04 2.10 1.54 1ozhA1 TRP 293 H -0.47 0.20 0.07 -0.55 7.97 7.22 1ozhA1 TRP 293 HA -0.01 0.21 0.79 -0.75 4.62 4.85 1ozhA1 TRP 293 HB2 0.04 -0.01 -0.04 -0.04 3.23 3.17 1ozhA1 TRP 293 HB3 0.04 -0.02 -0.23 -0.04 3.23 2.98 1ozhA1 TRP 293 HD1 -0.86 0.05 -0.26 -0.04 7.22 6.10 1ozhA1 TRP 293 HE1 -0.07 0.13 -0.13 -0.04 10.20 10.09 1ozhA1 TRP 293 HE3 0.01 0.04 -0.45 -0.04 7.59 7.14 1ozhA1 TRP 293 HZ2 0.02 -0.04 -0.09 -0.04 7.44 7.29 1ozhA1 TRP 293 HZ3 0.05 0.01 -0.12 -0.04 7.13 7.02 1ozhA1 TRP 293 HH2 0.22 -0.03 -0.10 -0.04 7.19 7.24 1ozhA1 ASN 294 H -1.21 0.32 0.23 -0.55 8.53 7.32 1ozhA1 ASN 294 HA -0.24 0.11 0.75 -0.75 4.76 4.62 1ozhA1 ASN 294 HB2 -2.62 -0.07 0.09 -0.04 2.88 0.24 1ozhA1 ASN 294 HB3 -0.95 0.15 0.23 -0.04 2.79 2.18 1ozhA1 ASN 294 HD21 -0.11 -0.05 -0.12 -0.04 7.03 6.71 1ozhA1 ASN 294 HD22 -0.23 0.17 0.06 -0.04 7.74 7.70 1ozhA1 SER 295 H -0.05 0.22 0.18 -0.55 8.46 8.26 1ozhA1 SER 295 HA -0.09 0.15 0.52 -0.75 4.49 4.32 1ozhA1 SER 295 HB2 -0.03 0.02 0.05 -0.04 3.95 3.95 1ozhA1 SER 295 HB3 -0.02 0.09 0.05 -0.04 3.93 4.02 1ozhA1 GLY 296 H -0.06 0.02 0.01 -0.55 8.43 7.84 1ozhA1 GLY 296 HA2 -0.06 0.03 0.20 -0.51 4.01 3.67 1ozhA1 GLY 296 HA3 -0.06 0.22 0.73 -0.51 4.01 4.39 1ozhA1 ASN 297 H -0.01 -0.07 -0.07 -0.55 8.53 7.83 1ozhA1 ASN 297 HA -0.00 0.10 0.46 -0.75 4.76 4.57 1ozhA1 ASN 297 HB2 -0.00 -0.02 0.03 -0.04 2.88 2.84 1ozhA1 ASN 297 HB3 0.01 0.01 0.12 -0.04 2.79 2.89 1ozhA1 ASN 297 HD21 0.01 -0.05 -0.06 -0.04 7.03 6.89 1ozhA1 ASN 297 HD22 0.02 0.16 -0.06 -0.04 7.74 7.82 1ozhA1 ALA 298 H 0.03 -0.08 -0.06 -0.55 8.40 7.75 1ozhA1 ALA 298 HA 0.02 0.18 0.58 -0.75 4.34 4.37 1ozhA1 ALA 298 HB3 0.06 0.10 -0.37 -0.04 1.41 1.17 1ozhA1 THR 299 H 0.02 0.49 0.14 -0.55 8.28 8.39 1ozhA1 THR 299 HA 0.02 0.06 0.50 -0.75 4.39 4.21 1ozhA1 THR 299 HB 0.02 0.02 0.25 -0.04 4.32 4.57 1ozhA1 THR 299 HG23 0.02 -0.02 -0.13 -0.04 1.22 1.05 1ozhA1 LEU 300 H 0.03 0.16 0.22 -0.55 8.37 8.23 1ozhA1 LEU 300 HA 0.11 0.30 0.99 -0.75 4.35 5.00 1ozhA1 LEU 300 HB2 0.10 0.10 -0.06 -0.04 1.64 1.74 1ozhA1 LEU 300 HB3 0.01 -0.05 0.11 -0.04 1.64 1.67 1ozhA1 LEU 300 HG 0.07 -0.08 -0.34 -0.04 1.64 1.25 1ozhA1 LEU 300 HD13 0.44 0.05 -0.04 -0.04 0.93 1.33 1ozhA1 LEU 300 HD23 -0.11 -0.00 -0.23 -0.04 0.89 0.51 1ozhA1 VAL 301 H 0.11 0.81 0.46 -0.55 8.24 9.07 1ozhA1 VAL 301 HA 0.08 0.20 1.10 -0.75 4.13 4.76 1ozhA1 VAL 301 HB 0.08 -0.01 0.18 -0.04 2.12 2.33 1ozhA1 VAL 301 HG13 0.08 -0.01 -0.18 -0.04 0.97 0.82 1ozhA1 VAL 301 HG23 0.04 0.01 -0.16 -0.04 0.95 0.80 1ozhA1 HIS 302 H 0.16 0.66 0.41 -0.55 8.41 9.09 1ozhA1 HIS 302 HA 0.20 0.16 1.05 -0.75 4.63 5.29 1ozhA1 HIS 302 HB2 0.04 -0.01 -0.00 -0.04 3.26 3.25 1ozhA1 HIS 302 HB3 0.05 -0.06 0.22 -0.04 3.20 3.37 1ozhA1 HIS 302 HD2 0.09 -0.08 -0.19 -0.04 6.97 6.74 1ozhA1 HIS 302 HE1 0.30 0.30 0.01 -0.04 7.75 8.31 1ozhA1 ILE 303 H -0.15 0.68 0.33 -0.55 8.25 8.57 1ozhA1 ILE 303 HA -0.04 0.34 1.08 -0.75 4.18 4.80 1ozhA1 ILE 303 HB -0.02 0.08 0.26 -0.04 1.89 2.17 1ozhA1 ILE 303 HG12 0.03 0.01 -0.08 -0.04 1.49 1.41 1ozhA1 ILE 303 HG13 0.05 -0.07 -0.37 -0.04 1.21 0.78 1ozhA1 ILE 303 HG23 -0.02 -0.02 -0.09 -0.04 0.93 0.77 1ozhA1 ILE 303 HD13 0.06 0.00 -0.14 -0.04 0.88 0.76 1ozhA1 ASP 304 H -0.03 0.61 0.30 -0.55 8.40 8.72 1ozhA1 ASP 304 HA -0.02 -0.02 0.48 -0.75 4.63 4.31 1ozhA1 ASP 304 HB2 -0.15 0.08 -0.08 -0.04 2.71 2.51 1ozhA1 ASP 304 HB3 0.11 0.24 -0.11 -0.04 2.70 2.90 1ozhA1 VAL 305 H 0.04 0.13 0.18 -0.55 8.24 8.05 1ozhA1 VAL 305 HA 0.03 0.25 0.48 -0.75 4.13 4.14 1ozhA1 VAL 305 HB 0.03 0.02 0.11 -0.04 2.12 2.24 1ozhA1 VAL 305 HG13 0.02 -0.01 0.11 -0.04 0.97 1.05 1ozhA1 VAL 305 HG23 0.06 0.03 -0.10 -0.04 0.95 0.89 1ozhA1 LEU 306 H 0.11 0.06 -0.38 -0.55 8.37 7.62 1ozhA1 LEU 306 HA 0.04 0.21 0.78 -0.75 4.35 4.63 1ozhA1 LEU 306 HB2 0.14 -0.05 -0.08 -0.04 1.64 1.61 1ozhA1 LEU 306 HB3 -0.02 0.10 0.03 -0.04 1.64 1.71 1ozhA1 LEU 306 HG 0.08 -0.14 -0.41 -0.04 1.64 1.14 1ozhA1 LEU 306 HD13 0.15 -0.01 -0.02 -0.04 0.93 1.01 1ozhA1 LEU 306 HD23 0.03 0.05 0.01 -0.04 0.89 0.94 1ozhA1 PRO 307 HA 0.06 -0.00 0.37 -0.51 4.44 4.37 1ozhA1 PRO 307 HB2 -0.10 0.06 -0.04 -0.04 2.28 2.16 1ozhA1 PRO 307 HB3 -0.04 0.01 0.07 -0.04 2.02 2.02 1ozhA1 PRO 307 HG2 -0.04 0.05 0.04 -0.04 2.03 2.05 1ozhA1 PRO 307 HG3 -0.00 0.03 0.02 -0.04 2.03 2.03 1ozhA1 PRO 307 HD2 -0.08 0.12 0.15 -0.04 3.68 3.83 1ozhA1 PRO 307 HD3 -0.00 0.16 0.17 -0.04 3.65 3.93 1ozhA1 ALA 308 H -0.13 0.06 0.10 -0.55 8.40 7.88 1ozhA1 ALA 308 HA -0.32 0.06 0.34 -0.75 4.34 3.67 1ozhA1 ALA 308 HB3 -0.52 0.01 0.05 -0.04 1.41 0.91 1ozhA1 TYR 309 H 0.32 0.12 0.11 -0.55 8.29 8.30 1ozhA1 TYR 309 HA 0.01 0.11 0.50 -0.75 4.56 4.42 1ozhA1 TYR 309 HB2 -0.01 -0.12 0.22 -0.04 3.06 3.11 1ozhA1 TYR 309 HB3 0.00 0.04 0.18 -0.04 2.98 3.16 1ozhA1 TYR 309 HD2 0.02 -0.02 0.05 -0.04 7.15 7.16 1ozhA1 TYR 309 HE2 0.03 -0.01 -0.03 -0.04 6.85 6.81 1ozhA1 GLU 310 H 0.00 0.76 -0.16 -0.55 8.60 8.66 1ozhA1 GLU 310 HA 0.08 0.14 0.35 -0.75 4.29 4.11 1ozhA1 GLU 310 HB2 -0.03 0.05 0.15 -0.04 2.09 2.21 1ozhA1 GLU 310 HB3 0.00 -0.06 0.01 -0.04 1.99 1.90 1ozhA1 GLU 310 HG2 -0.01 0.00 -0.06 -0.04 2.34 2.24 1ozhA1 GLU 310 HG3 -0.05 0.12 0.23 -0.04 2.34 2.59 1ozhA1 GLU 311 H 0.09 0.61 0.28 -0.55 8.60 9.04 1ozhA1 GLU 311 HA 0.04 0.18 0.73 -0.75 4.29 4.49 1ozhA1 GLU 311 HB2 0.08 0.24 -0.09 -0.04 2.09 2.28 1ozhA1 GLU 311 HB3 0.12 -0.09 -0.01 -0.04 1.99 1.98 1ozhA1 GLU 311 HG2 0.00 -0.31 0.17 -0.04 2.34 2.16 1ozhA1 GLU 311 HG3 0.01 0.12 0.13 -0.04 2.34 2.55 1ozhA1 ARG 312 H 0.00 0.16 0.13 -0.55 8.46 8.20 1ozhA1 ARG 312 HA -0.01 0.13 0.40 -0.75 4.34 4.11 1ozhA1 ARG 312 HB2 -0.03 0.06 0.05 -0.04 1.90 1.95 1ozhA1 ARG 312 HB3 -0.02 0.01 0.12 -0.04 1.80 1.87 1ozhA1 ARG 312 HG2 -0.03 -0.16 0.10 -0.04 1.67 1.54 1ozhA1 ARG 312 HG3 -0.05 0.09 -0.18 -0.04 1.67 1.50 1ozhA1 ARG 312 HD2 -0.04 0.01 -0.01 -0.04 3.22 3.14 1ozhA1 ARG 312 HD3 -0.03 0.04 -0.01 -0.04 3.22 3.18 1ozhA1 ASN 313 H -0.02 0.00 -0.20 -0.55 8.53 7.77 1ozhA1 ASN 313 HA -0.08 0.31 0.75 -0.75 4.76 4.99 1ozhA1 ASN 313 HB2 -0.12 -0.15 -0.09 -0.04 2.88 2.47 1ozhA1 ASN 313 HB3 -0.23 0.12 -0.06 -0.04 2.79 2.58 1ozhA1 ASN 313 HD21 -0.09 -0.00 -0.07 -0.04 7.03 6.82 1ozhA1 ASN 313 HD22 -0.12 0.11 -0.05 -0.04 7.74 7.65 1ozhA1 TYR 314 H 0.06 0.30 -0.70 -0.55 8.29 7.40 1ozhA1 TYR 314 HA -0.05 0.17 0.63 -0.75 4.56 4.56 1ozhA1 TYR 314 HB2 0.01 -0.02 -0.24 -0.04 3.06 2.77 1ozhA1 TYR 314 HB3 0.02 -0.05 0.09 -0.04 2.98 2.99 1ozhA1 TYR 314 HD2 0.09 0.06 -0.11 -0.04 7.15 7.16 1ozhA1 TYR 314 HE2 0.29 -0.01 -0.10 -0.04 6.85 6.99 1ozhA1 THR 315 H -0.12 0.23 -0.19 -0.55 8.28 7.65 1ozhA1 THR 315 HA -0.15 0.13 0.86 -0.75 4.39 4.48 1ozhA1 THR 315 HB -0.07 0.03 0.07 -0.04 4.32 4.31 1ozhA1 THR 315 HG23 -0.04 -0.02 -0.17 -0.04 1.22 0.95 1ozhA1 PRO 316 HA -0.11 0.01 0.29 -0.51 4.44 4.11 1ozhA1 PRO 316 HB2 -0.08 -0.00 -0.15 -0.04 2.28 2.01 1ozhA1 PRO 316 HB3 -0.01 0.05 -0.05 -0.04 2.02 1.97 1ozhA1 PRO 316 HG2 -0.36 -0.03 -0.02 -0.04 2.03 1.58 1ozhA1 PRO 316 HG3 -0.59 0.03 -0.10 -0.04 2.03 1.33 1ozhA1 PRO 316 HD2 -0.25 0.12 0.07 -0.04 3.68 3.58 1ozhA1 PRO 316 HD3 -0.64 0.16 -0.39 -0.04 3.65 2.75 1ozhA1 ASP 317 H -0.01 0.70 0.41 -0.55 8.40 8.95 1ozhA1 ASP 317 HA -0.02 0.17 0.81 -0.75 4.63 4.83 1ozhA1 ASP 317 HB2 0.01 0.05 0.19 -0.04 2.71 2.92 1ozhA1 ASP 317 HB3 0.00 -0.02 0.12 -0.04 2.70 2.75 1ozhA1 VAL 318 H 0.02 0.32 0.26 -0.55 8.24 8.29 1ozhA1 VAL 318 HA 0.02 0.15 0.75 -0.75 4.13 4.29 1ozhA1 VAL 318 HB 0.04 -0.06 0.09 -0.04 2.12 2.15 1ozhA1 VAL 318 HG13 0.03 0.00 -0.14 -0.04 0.97 0.82 1ozhA1 VAL 318 HG23 0.02 0.01 -0.21 -0.04 0.95 0.73 1ozhA1 GLU 319 H 0.03 0.24 0.09 -0.55 8.60 8.41 1ozhA1 GLU 319 HA 0.13 0.17 1.09 -0.75 4.29 4.92 1ozhA1 GLU 319 HB2 0.02 0.03 -0.04 -0.04 2.09 2.06 1ozhA1 GLU 319 HB3 0.04 -0.00 0.13 -0.04 1.99 2.12 1ozhA1 GLU 319 HG2 0.16 0.03 -0.11 -0.04 2.34 2.38 1ozhA1 GLU 319 HG3 0.17 0.01 0.06 -0.04 2.34 2.54 1ozhA1 LEU 320 H 0.10 0.98 0.30 -0.55 8.37 9.20 1ozhA1 LEU 320 HA 0.04 0.11 0.89 -0.75 4.35 4.64 1ozhA1 LEU 320 HB2 0.03 -0.01 0.23 -0.04 1.64 1.85 1ozhA1 LEU 320 HB3 0.03 -0.06 0.01 -0.04 1.64 1.58 1ozhA1 LEU 320 HG 0.05 0.01 -0.23 -0.04 1.64 1.43 1ozhA1 LEU 320 HD13 0.04 0.00 -0.14 -0.04 0.93 0.80 1ozhA1 LEU 320 HD23 0.03 0.04 -0.35 -0.04 0.89 0.58 1ozhA1 VAL 321 H 0.05 0.20 0.01 -0.55 8.24 7.95 1ozhA1 VAL 321 HA 0.06 0.33 0.84 -0.75 4.13 4.61 1ozhA1 VAL 321 HB 0.04 -0.03 0.02 -0.04 2.12 2.11 1ozhA1 VAL 321 HG13 0.04 0.01 -0.38 -0.04 0.97 0.60 1ozhA1 VAL 321 HG23 0.10 0.01 -0.27 -0.04 0.95 0.75 1ozhA1 GLY 322 H 0.03 0.59 0.21 -0.55 8.43 8.72 1ozhA1 GLY 322 HA2 0.02 0.03 0.22 -0.51 4.01 3.77 1ozhA1 GLY 322 HA3 0.02 0.19 0.41 -0.51 4.01 4.12 1ozhA1 ASP 323 H 0.01 0.64 -0.06 -0.55 8.40 8.44 1ozhA1 ASP 323 HA 0.01 0.05 0.43 -0.75 4.63 4.36 1ozhA1 ASP 323 HB2 0.00 0.24 -0.00 -0.04 2.71 2.92 1ozhA1 ASP 323 HB3 0.00 -0.12 -0.03 -0.04 2.70 2.51 1ozhA1 ILE 324 H -0.00 0.20 0.19 -0.55 8.25 8.08 1ozhA1 ILE 324 HA -0.01 0.08 0.30 -0.75 4.18 3.80 1ozhA1 ILE 324 HB -0.02 0.04 0.10 -0.04 1.89 1.97 1ozhA1 ILE 324 HG12 -0.02 -0.01 -0.09 -0.04 1.49 1.33 1ozhA1 ILE 324 HG13 0.00 0.07 0.05 -0.04 1.21 1.29 1ozhA1 ILE 324 HG23 -0.04 0.02 -0.21 -0.04 0.93 0.66 1ozhA1 ILE 324 HD13 -0.00 -0.00 0.00 -0.04 0.88 0.84 1ozhA1 ALA 325 H -0.02 0.16 -0.07 -0.55 8.40 7.93 1ozhA1 ALA 325 HA -0.03 0.07 0.40 -0.75 4.34 4.02 1ozhA1 ALA 325 HB3 -0.02 0.05 0.11 -0.04 1.41 1.51 1ozhA1 GLY 326 H -0.01 0.08 -0.36 -0.55 8.43 7.59 1ozhA1 GLY 326 HA2 -0.01 0.07 0.33 -0.51 4.01 3.89 1ozhA1 GLY 326 HA3 -0.00 0.05 0.24 -0.51 4.01 3.79 1ozhA1 THR 327 H -0.01 0.50 -0.21 -0.55 8.28 8.02 1ozhA1 THR 327 HA 0.00 -0.00 0.41 -0.75 4.39 4.05 1ozhA1 THR 327 HB -0.01 0.12 0.07 -0.04 4.32 4.46 1ozhA1 THR 327 HG23 0.01 0.00 -0.13 -0.04 1.22 1.07 1ozhA1 LEU 328 H -0.03 0.67 -0.07 -0.55 8.37 8.40 1ozhA1 LEU 328 HA -0.03 0.01 0.35 -0.75 4.35 3.93 1ozhA1 LEU 328 HB2 -0.06 0.03 0.02 -0.04 1.64 1.60 1ozhA1 LEU 328 HB3 -0.09 0.04 -0.08 -0.04 1.64 1.47 1ozhA1 LEU 328 HG -0.06 0.24 -0.02 -0.04 1.64 1.76 1ozhA1 LEU 328 HD13 -0.13 -0.01 -0.12 -0.04 0.93 0.62 1ozhA1 LEU 328 HD23 -0.09 -0.03 -0.09 -0.04 0.89 0.64 1ozhA1 ASN 329 H -0.02 0.59 -0.18 -0.55 8.53 8.37 1ozhA1 ASN 329 HA -0.02 0.07 0.44 -0.75 4.76 4.50 1ozhA1 ASN 329 HB2 -0.01 0.08 0.14 -0.04 2.88 3.04 1ozhA1 ASN 329 HB3 -0.01 -0.03 -0.02 -0.04 2.79 2.69 1ozhA1 ASN 329 HD21 -0.02 -0.09 -0.06 -0.04 7.03 6.81 1ozhA1 ASN 329 HD22 -0.01 -0.04 -0.22 -0.04 7.74 7.42 1ozhA1 LYS 330 H -0.00 0.46 -0.14 -0.55 8.42 8.18 1ozhA1 LYS 330 HA 0.00 0.03 0.41 -0.75 4.32 4.01 1ozhA1 LYS 330 HB2 0.01 0.10 0.13 -0.04 1.87 2.07 1ozhA1 LYS 330 HB3 0.01 -0.07 -0.02 -0.04 1.79 1.67 1ozhA1 LYS 330 HG2 0.00 -0.03 0.02 -0.04 1.46 1.41 1ozhA1 LYS 330 HG3 0.00 0.18 0.09 -0.04 1.46 1.69 1ozhA1 LYS 330 HD2 0.01 -0.01 -0.07 -0.04 1.69 1.58 1ozhA1 LYS 330 HD3 0.01 -0.05 -0.03 -0.04 1.68 1.56 1ozhA1 LYS 330 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 1ozhA1 LYS 330 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 1ozhA1 LEU 331 H 0.01 0.50 -0.23 -0.55 8.37 8.10 1ozhA1 LEU 331 HA 0.02 0.00 0.36 -0.75 4.35 3.98 1ozhA1 LEU 331 HB2 0.03 0.02 0.04 -0.04 1.64 1.69 1ozhA1 LEU 331 HB3 0.03 0.11 0.08 -0.04 1.64 1.81 1ozhA1 LEU 331 HG 0.08 0.06 -0.19 -0.04 1.64 1.54 1ozhA1 LEU 331 HD13 0.05 -0.02 -0.10 -0.04 0.93 0.82 1ozhA1 LEU 331 HD23 0.13 -0.02 -0.12 -0.04 0.89 0.84 1ozhA1 ALA 332 H 0.00 0.57 -0.17 -0.55 8.40 8.25 1ozhA1 ALA 332 HA 0.02 0.03 0.33 -0.75 4.34 3.96 1ozhA1 ALA 332 HB3 -0.01 0.03 0.05 -0.04 1.41 1.44 1ozhA1 GLN 333 H 0.01 0.34 -0.37 -0.55 8.47 7.90 1ozhA1 GLN 333 HA 0.01 0.06 0.43 -0.75 4.36 4.10 1ozhA1 GLN 333 HB2 0.01 0.09 0.09 -0.04 2.15 2.29 1ozhA1 GLN 333 HB3 0.01 -0.09 0.05 -0.04 2.02 1.95 1ozhA1 GLN 333 HG2 0.00 -0.04 0.01 -0.04 2.40 2.34 1ozhA1 GLN 333 HG3 0.00 0.22 0.04 -0.04 2.39 2.62 1ozhA1 GLN 333 HE21 -0.00 -0.08 -0.09 -0.04 6.97 6.76 1ozhA1 GLN 333 HE22 -0.00 0.05 -0.19 -0.04 7.69 7.51 1ozhA1 ASN 334 H 0.01 0.41 -0.51 -0.55 8.53 7.90 1ozhA1 ASN 334 HA 0.01 0.12 0.80 -0.75 4.76 4.94 1ozhA1 ASN 334 HB2 0.02 0.09 0.09 -0.04 2.88 3.03 1ozhA1 ASN 334 HB3 0.02 -0.10 0.17 -0.04 2.79 2.84 1ozhA1 ASN 334 HD21 0.01 -0.15 -0.07 -0.04 7.03 6.78 1ozhA1 ASN 334 HD22 0.01 0.33 -0.04 -0.04 7.74 8.00 1ozhA1 ILE 335 H 0.01 0.44 -0.40 -0.55 8.25 7.75 1ozhA1 ILE 335 HA -0.01 0.06 0.85 -0.75 4.18 4.33 1ozhA1 ILE 335 HB 0.01 0.10 0.07 -0.04 1.89 2.03 1ozhA1 ILE 335 HG12 0.00 -0.02 -0.08 -0.04 1.49 1.35 1ozhA1 ILE 335 HG13 0.02 0.24 -0.21 -0.04 1.21 1.22 1ozhA1 ILE 335 HG23 -0.05 -0.02 -0.20 -0.04 0.93 0.62 1ozhA1 ILE 335 HD13 0.07 -0.04 -0.14 -0.04 0.88 0.73 1ozhA1 ASP 336 H 0.01 0.09 0.08 -0.55 8.40 8.04 1ozhA1 ASP 336 HA 0.04 0.17 0.64 -0.75 4.63 4.73 1ozhA1 ASP 336 HB2 0.22 -0.02 0.10 -0.04 2.71 2.96 1ozhA1 ASP 336 HB3 0.10 -0.04 0.02 -0.04 2.70 2.73 1ozhA1 HIS 337 H -0.13 0.09 0.08 -0.55 8.41 7.90 1ozhA1 HIS 337 HA -0.01 0.22 0.96 -0.75 4.63 5.05 1ozhA1 HIS 337 HB2 -0.00 0.02 0.11 -0.04 3.26 3.34 1ozhA1 HIS 337 HB3 -0.00 -0.05 -0.08 -0.04 3.20 3.02 1ozhA1 HIS 337 HD2 0.01 0.20 -0.10 -0.04 6.97 7.03 1ozhA1 HIS 337 HE1 0.01 -0.00 0.04 -0.04 7.75 7.75 1ozhA1 ARG 338 H 0.06 0.02 0.13 -0.55 8.46 8.12 1ozhA1 ARG 338 HA -0.03 0.21 0.56 -0.75 4.34 4.32 1ozhA1 ARG 338 HB2 -0.03 -0.13 0.06 -0.04 1.90 1.76 1ozhA1 ARG 338 HB3 -0.01 0.06 -0.08 -0.04 1.80 1.73 1ozhA1 ARG 338 HG2 -0.29 0.11 -0.34 -0.04 1.67 1.11 1ozhA1 ARG 338 HG3 -0.15 -0.04 -0.01 -0.04 1.67 1.43 1ozhA1 ARG 338 HD2 -0.27 -0.12 0.00 -0.04 3.22 2.79 1ozhA1 ARG 338 HD3 -1.33 -0.05 -0.05 -0.04 3.22 1.76 1ozhA1 LEU 339 H 0.06 0.65 0.18 -0.55 8.37 8.71 1ozhA1 LEU 339 HA 0.02 0.03 0.43 -0.75 4.35 4.08 1ozhA1 LEU 339 HB2 0.00 0.00 0.04 -0.04 1.64 1.65 1ozhA1 LEU 339 HB3 0.07 0.16 0.01 -0.04 1.64 1.84 1ozhA1 LEU 339 HG 0.03 -0.14 -0.62 -0.04 1.64 0.86 1ozhA1 LEU 339 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 1ozhA1 LEU 339 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.83 1ozhA1 VAL 340 H 0.06 0.21 0.12 -0.55 8.24 8.09 1ozhA1 VAL 340 HA 0.05 0.12 0.86 -0.75 4.13 4.40 1ozhA1 VAL 340 HB 0.03 -0.01 0.04 -0.04 2.12 2.14 1ozhA1 VAL 340 HG13 0.06 0.02 -0.03 -0.04 0.97 0.98 1ozhA1 VAL 340 HG23 0.05 -0.00 0.14 -0.04 0.95 1.10 1ozhA1 LEU 341 H 0.02 0.17 0.03 -0.55 8.37 8.05 1ozhA1 LEU 341 HA 0.01 0.03 0.40 -0.75 4.35 4.04 1ozhA1 LEU 341 HB2 -0.00 -0.04 0.09 -0.04 1.64 1.65 1ozhA1 LEU 341 HB3 -0.01 -0.09 -0.01 -0.04 1.64 1.49 1ozhA1 LEU 341 HG 0.00 0.09 0.06 -0.04 1.64 1.75 1ozhA1 LEU 341 HD13 -0.04 -0.01 -0.02 -0.04 0.93 0.81 1ozhA1 LEU 341 HD23 -0.01 0.01 -0.01 -0.04 0.89 0.84 1ozhA1 SER 342 H 0.00 0.11 0.26 -0.55 8.46 8.29 1ozhA1 SER 342 HA 0.00 0.19 0.53 -0.75 4.49 4.45 1ozhA1 SER 342 HB2 0.00 -0.02 0.19 -0.04 3.95 4.08 1ozhA1 SER 342 HB3 0.00 0.24 0.19 -0.04 3.93 4.32 1ozhA1 PRO 343 HA -0.01 0.12 0.44 -0.51 4.44 4.48 1ozhA1 PRO 343 HB2 -0.00 -0.02 0.11 -0.04 2.28 2.32 1ozhA1 PRO 343 HB3 -0.00 0.05 0.09 -0.04 2.02 2.11 1ozhA1 PRO 343 HG2 -0.00 0.05 0.11 -0.04 2.03 2.14 1ozhA1 PRO 343 HG3 -0.00 0.09 0.10 -0.04 2.03 2.18 1ozhA1 PRO 343 HD2 0.00 0.07 0.24 -0.04 3.68 3.95 1ozhA1 PRO 343 HD3 0.00 0.22 0.25 -0.04 3.65 4.08 1ozhA1 GLN 344 H -0.00 0.16 -0.10 -0.55 8.47 7.97 1ozhA1 GLN 344 HA -0.01 0.08 0.42 -0.75 4.36 4.10 1ozhA1 GLN 344 HB2 -0.00 -0.00 0.07 -0.04 2.15 2.17 1ozhA1 GLN 344 HB3 -0.00 0.06 -0.02 -0.04 2.02 2.02 1ozhA1 GLN 344 HG2 0.00 0.08 0.02 -0.04 2.40 2.46 1ozhA1 GLN 344 HG3 -0.00 -0.00 0.02 -0.04 2.39 2.37 1ozhA1 GLN 344 HE21 0.00 0.03 0.05 -0.04 6.97 7.00 1ozhA1 GLN 344 HE22 0.00 0.02 0.02 -0.04 7.69 7.70 1ozhA1 ALA 345 H -0.01 0.09 -0.17 -0.55 8.40 7.77 1ozhA1 ALA 345 HA -0.02 0.06 0.37 -0.75 4.34 4.00 1ozhA1 ALA 345 HB3 -0.01 0.04 0.10 -0.04 1.41 1.50 1ozhA1 ALA 346 H -0.01 0.57 -0.30 -0.55 8.40 8.12 1ozhA1 ALA 346 HA -0.03 0.05 0.40 -0.75 4.34 4.01 1ozhA1 ALA 346 HB3 -0.01 0.04 0.02 -0.04 1.41 1.41 1ozhA1 GLU 347 H -0.01 0.47 -0.22 -0.55 8.60 8.28 1ozhA1 GLU 347 HA -0.02 -0.01 0.43 -0.75 4.29 3.94 1ozhA1 ILE 348 H -0.02 0.62 -0.11 -0.55 8.25 8.20 1ozhA1 ILE 348 HA -0.02 -0.02 0.43 -0.75 4.18 3.82 1ozhA1 ILE 348 HB -0.03 0.18 0.15 -0.04 1.89 2.15 1ozhA1 ILE 348 HG12 -0.01 -0.07 -0.01 -0.04 1.49 1.36 1ozhA1 ILE 348 HG13 -0.01 0.18 0.04 -0.04 1.21 1.37 1ozhA1 ILE 348 HG23 -0.03 -0.01 -0.07 -0.04 0.93 0.77 1ozhA1 ILE 348 HD13 -0.01 -0.03 -0.21 -0.04 0.88 0.59 1ozhA1 LEU 349 H -0.04 0.54 -0.13 -0.55 8.37 8.20 1ozhA1 LEU 349 HA -0.06 0.00 0.48 -0.75 4.35 4.02 1ozhA1 LEU 349 HB2 -0.05 0.09 0.16 -0.04 1.64 1.80 1ozhA1 LEU 349 HB3 -0.06 0.03 0.06 -0.04 1.64 1.63 1ozhA1 LEU 349 HG -0.05 0.09 0.05 -0.04 1.64 1.69 1ozhA1 LEU 349 HD13 -0.07 0.01 -0.00 -0.04 0.93 0.82 1ozhA1 LEU 349 HD23 -0.08 0.00 -0.09 -0.04 0.89 0.68 1ozhA1 ARG 350 H -0.03 0.50 -0.22 -0.55 8.46 8.16 1ozhA1 ARG 350 HA -0.03 0.05 0.51 -0.75 4.34 4.12 1ozhA1 ARG 350 HB2 -0.02 0.12 0.18 -0.04 1.90 2.13 1ozhA1 ARG 350 HB3 -0.02 -0.09 0.06 -0.04 1.80 1.70 1ozhA1 ARG 350 HG2 -0.03 -0.04 0.04 -0.04 1.67 1.60 1ozhA1 ARG 350 HG3 -0.02 0.36 0.03 -0.04 1.67 1.99 1ozhA1 ARG 350 HD2 -0.02 -0.04 -0.00 -0.04 3.22 3.12 1ozhA1 ARG 350 HD3 -0.02 -0.04 0.01 -0.04 3.22 3.13 1ozhA1 ASP 351 H -0.02 0.56 -0.15 -0.55 8.40 8.25 1ozhA1 ASP 351 HA 0.03 -0.01 0.47 -0.75 4.63 4.37 1ozhA1 ASP 351 HB2 -0.02 0.20 0.23 -0.04 2.71 3.08 1ozhA1 ASP 351 HB3 -0.00 -0.07 0.04 -0.04 2.70 2.63 1ozhA1 ARG 352 H -0.05 0.51 -0.12 -0.55 8.46 8.25 1ozhA1 ARG 352 HA -0.10 -0.01 0.45 -0.75 4.34 3.92 1ozhA1 ARG 352 HB2 -0.10 -0.06 0.17 -0.04 1.90 1.88 1ozhA1 ARG 352 HB3 -0.09 0.24 0.18 -0.04 1.80 2.09 1ozhA1 ARG 352 HG2 -0.17 0.02 -0.14 -0.04 1.67 1.34 1ozhA1 ARG 352 HG3 -0.18 -0.09 0.07 -0.04 1.67 1.44 1ozhA1 ARG 352 HD2 -0.17 -0.13 -0.02 -0.04 3.22 2.86 1ozhA1 ARG 352 HD3 -0.12 0.19 0.07 -0.04 3.22 3.32 1ozhA1 GLN 353 H -0.04 0.38 -0.39 -0.55 8.47 7.88 1ozhA1 GLN 353 HA -0.07 0.03 0.43 -0.75 4.36 4.00 1ozhA1 GLN 353 HB2 -0.04 0.15 0.22 -0.04 2.15 2.44 1ozhA1 GLN 353 HB3 -0.01 0.20 0.24 -0.04 2.02 2.41 1ozhA1 GLN 353 HG2 -0.00 -0.06 -0.07 -0.04 2.40 2.23 1ozhA1 GLN 353 HG3 -0.02 -0.01 0.07 -0.04 2.39 2.38 1ozhA1 GLN 353 HE21 -0.02 -0.02 0.01 -0.04 6.97 6.90 1ozhA1 GLN 353 HE22 -0.02 0.01 0.02 -0.04 7.69 7.66 1ozhA1 HIS 354 H 0.07 0.52 -0.07 -0.55 8.41 8.38 1ozhA1 HIS 354 HA -0.04 0.01 0.49 -0.75 4.63 4.34 1ozhA1 HIS 354 HB2 -0.03 0.02 0.14 -0.04 3.26 3.34 1ozhA1 HIS 354 HB3 -0.04 0.13 0.21 -0.04 3.20 3.45 1ozhA1 HIS 354 HD2 -0.02 0.02 -0.03 -0.04 6.97 6.88 1ozhA1 HIS 354 HE1 -0.01 -0.02 -0.01 -0.04 7.75 7.67 1ozhA1 GLN 355 H -0.05 0.79 -0.03 -0.55 8.47 8.62 1ozhA1 GLN 355 HA -0.22 -0.04 0.42 -0.75 4.36 3.76 1ozhA1 GLN 355 HB2 -0.10 0.01 0.12 -0.04 2.15 2.14 1ozhA1 GLN 355 HB3 -0.14 0.09 0.26 -0.04 2.02 2.18 1ozhA1 GLN 355 HG2 -0.20 -0.00 -0.22 -0.04 2.40 1.94 1ozhA1 GLN 355 HG3 -0.14 -0.06 0.05 -0.04 2.39 2.20 1ozhA1 GLN 355 HE21 -0.11 0.30 0.09 -0.04 6.97 7.21 1ozhA1 GLN 355 HE22 -0.13 -0.09 0.04 -0.04 7.69 7.47 1ozhA1 ARG 356 H -0.18 0.66 -0.24 -0.55 8.46 8.14 1ozhA1 ARG 356 HA -0.26 -0.00 0.50 -0.75 4.34 3.82 1ozhA1 ARG 356 HB2 -0.21 0.16 0.15 -0.04 1.90 1.96 1ozhA1 ARG 356 HB3 -0.34 -0.05 0.03 -0.04 1.80 1.39 1ozhA1 ARG 356 HG2 -1.20 -0.09 0.03 -0.04 1.67 0.37 1ozhA1 ARG 356 HG3 -0.41 0.21 0.10 -0.04 1.67 1.53 1ozhA1 ARG 356 HD2 -0.50 -0.01 -0.02 -0.04 3.22 2.64 1ozhA1 ARG 356 HD3 -0.52 -0.10 -0.02 -0.04 3.22 2.54 1ozhA1 GLU 357 H -0.09 0.40 -0.23 -0.55 8.60 8.14 1ozhA1 GLU 357 HA 0.01 0.03 0.46 -0.75 4.29 4.04 1ozhA1 GLU 357 HB2 -0.01 0.14 0.24 -0.04 2.09 2.42 1ozhA1 GLU 357 HB3 0.03 -0.09 0.05 -0.04 1.99 1.94 1ozhA1 GLU 357 HG2 0.02 -0.05 0.05 -0.04 2.34 2.32 1ozhA1 GLU 357 HG3 0.01 0.41 0.14 -0.04 2.34 2.86 1ozhA1 LEU 358 H -0.19 0.55 -0.12 -0.55 8.37 8.07 1ozhA1 LEU 358 HA -0.05 -0.01 0.43 -0.75 4.35 3.96 1ozhA1 LEU 358 HB2 -0.18 0.15 0.15 -0.04 1.64 1.72 1ozhA1 LEU 358 HB3 -0.08 -0.07 -0.02 -0.04 1.64 1.43 1ozhA1 LEU 358 HG -0.69 0.14 0.03 -0.04 1.64 1.08 1ozhA1 LEU 358 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.67 1ozhA1 LEU 358 HD23 -0.04 -0.03 -0.01 -0.04 0.89 0.77 1ozhA1 LEU 359 H -0.03 0.44 -0.15 -0.55 8.37 8.08 1ozhA1 LEU 359 HA 0.14 -0.04 0.39 -0.75 4.35 4.09 1ozhA1 LEU 359 HB2 0.07 0.10 0.14 -0.04 1.64 1.91 1ozhA1 LEU 359 HB3 -0.03 -0.07 -0.01 -0.04 1.64 1.50 1ozhA1 LEU 359 HG -0.11 0.15 0.10 -0.04 1.64 1.74 1ozhA1 LEU 359 HD13 -0.25 -0.01 -0.02 -0.04 0.93 0.61 1ozhA1 LEU 359 HD23 -0.14 -0.04 -0.01 -0.04 0.89 0.66 1ozhA1 ASP 360 H 0.13 0.40 -0.34 -0.55 8.40 8.05 1ozhA1 ASP 360 HA 0.21 0.03 0.54 -0.75 4.63 4.65 1ozhA1 ASP 360 HB2 0.09 0.02 0.14 -0.04 2.71 2.92 1ozhA1 ASP 360 HB3 0.09 -0.02 -0.01 -0.04 2.70 2.71 1ozhA1 ARG 361 H 0.05 0.56 -0.05 -0.55 8.46 8.47 1ozhA1 ARG 361 HA 0.02 0.04 0.23 -0.75 4.34 3.88 1ozhA1 ARG 361 HB2 0.01 0.19 0.19 -0.04 1.90 2.24 1ozhA1 ARG 361 HB3 0.01 -0.16 0.07 -0.04 1.80 1.68 1ozhA1 ARG 361 HG2 0.04 0.08 -0.05 -0.04 1.67 1.69 1ozhA1 ARG 361 HG3 0.08 0.12 -0.75 -0.04 1.67 1.07 1ozhA1 ARG 361 HD2 0.01 -0.04 -0.09 -0.04 3.22 3.06 1ozhA1 ARG 361 HD3 0.00 -0.14 -0.03 -0.04 3.22 3.01 1ozhA1 GLY 363 HA2 -0.01 -0.12 0.31 -0.51 4.01 3.68 1ozhA1 GLY 363 HA3 -0.00 -0.09 0.14 -0.51 4.01 3.54 1ozhA1 ALA 364 H -0.02 0.30 -0.35 -0.55 8.40 7.78 1ozhA1 ALA 364 HA -0.02 -0.01 0.43 -0.75 4.34 3.99 1ozhA1 ALA 364 HB3 -0.04 -0.03 0.03 -0.04 1.41 1.33 1ozhA1 GLN 365 H -0.03 -0.02 0.15 -0.55 8.47 8.02 1ozhA1 GLN 365 HA -0.04 0.28 0.63 -0.75 4.36 4.48 1ozhA1 LEU 366 H -0.05 0.01 0.08 -0.55 8.37 7.86 1ozhA1 LEU 366 HA -0.06 -0.09 0.38 -0.75 4.35 3.82 1ozhA1 LEU 366 HB2 -0.08 0.32 -0.12 -0.04 1.64 1.71 1ozhA1 LEU 366 HB3 -0.09 -0.16 0.18 -0.04 1.64 1.53 1ozhA1 LEU 366 HG -0.11 -0.01 -0.23 -0.04 1.64 1.25 1ozhA1 LEU 366 HD13 -0.13 0.02 -0.16 -0.04 0.93 0.61 1ozhA1 LEU 366 HD23 -0.28 -0.03 0.03 -0.04 0.89 0.57 1ozhA1 ASN 367 H -0.03 0.04 -0.00 -0.55 8.53 8.00 1ozhA1 ASN 367 HA -0.03 0.25 0.78 -0.75 4.76 5.01 1ozhA1 ASN 367 HB2 -0.03 0.10 -0.09 -0.04 2.88 2.82 1ozhA1 ASN 367 HB3 -0.02 -0.03 0.01 -0.04 2.79 2.72 1ozhA1 ASN 367 HD21 -0.02 -0.03 0.06 -0.04 7.03 6.99 1ozhA1 ASN 367 HD22 -0.01 -0.00 -0.06 -0.04 7.74 7.64 1ozhA1 GLN 368 H -0.00 -0.05 -0.14 -0.55 8.47 7.73 1ozhA1 GLN 368 HA 0.04 0.10 0.37 -0.75 4.36 4.11 1ozhA1 GLN 368 HB2 0.01 0.04 0.05 -0.04 2.15 2.21 1ozhA1 GLN 368 HB3 0.01 -0.03 0.08 -0.04 2.02 2.04 1ozhA1 GLN 368 HG2 0.01 -0.13 -0.04 -0.04 2.40 2.21 1ozhA1 GLN 368 HG3 -0.01 0.25 -0.30 -0.04 2.39 2.29 1ozhA1 GLN 368 HE21 0.09 -0.04 -0.03 -0.04 6.97 6.96 1ozhA1 GLN 368 HE22 -0.02 0.16 -0.13 -0.04 7.69 7.66 1ozhA1 PHE 369 H 0.08 0.25 0.09 -0.55 8.34 8.20 1ozhA1 PHE 369 HA -0.08 -0.11 0.05 -0.75 4.62 3.73 1ozhA1 PHE 369 HB2 -0.06 -0.04 -0.18 -0.04 3.15 2.84 1ozhA1 PHE 369 HB3 -0.04 0.02 0.04 -0.04 3.06 3.04 1ozhA1 PHE 369 HD2 -0.06 -0.02 -0.13 -0.04 7.28 7.03 1ozhA1 PHE 369 HE2 -0.06 0.05 -0.06 -0.04 7.38 7.28 1ozhA1 PHE 369 HZ -0.04 0.03 0.06 -0.04 7.32 7.33 1ozhA1 ALA 370 H -0.47 0.05 0.02 -0.55 8.40 7.47 1ozhA1 ALA 370 HA -1.30 0.08 0.23 -0.75 4.34 2.59 1ozhA1 ALA 370 HB3 -0.44 0.01 -0.34 -0.04 1.41 0.59 1ozhA1 LEU 371 H -0.21 0.33 0.07 -0.55 8.37 8.02 1ozhA1 LEU 371 HA -0.07 0.23 0.26 -0.75 4.35 4.01 1ozhA1 LEU 371 HB2 -0.30 0.09 0.08 -0.04 1.64 1.47 1ozhA1 LEU 371 HB3 -0.23 0.03 0.01 -0.04 1.64 1.41 1ozhA1 LEU 371 HG 0.00 0.07 0.04 -0.04 1.64 1.71 1ozhA1 LEU 371 HD13 0.14 -0.04 -0.01 -0.04 0.93 0.98 1ozhA1 LEU 371 HD23 -0.15 0.00 -0.03 -0.04 0.89 0.67 1ozhA1 HIS 372 H -0.06 0.19 0.16 -0.55 8.41 8.16 1ozhA1 HIS 372 HA -0.22 0.20 0.71 -0.75 4.63 4.56 1ozhA1 HIS 372 HB2 -0.11 0.04 0.12 -0.04 3.26 3.27 1ozhA1 HIS 372 HB3 -0.16 -0.06 0.15 -0.04 3.20 3.08 1ozhA1 HIS 372 HD2 -0.03 0.01 0.04 -0.04 6.97 6.95 1ozhA1 HIS 372 HE1 0.03 0.10 0.02 -0.04 7.75 7.86 1ozhA1 PRO 373 HA -0.74 0.04 0.37 -0.51 4.44 3.61 1ozhA1 PRO 373 HB2 -2.46 0.07 0.05 -0.04 2.28 -0.09 1ozhA1 PRO 373 HB3 -1.63 0.01 0.03 -0.04 2.02 0.40 1ozhA1 PRO 373 HG2 -0.74 -0.01 0.06 -0.04 2.03 1.30 1ozhA1 PRO 373 HG3 -0.44 -0.02 0.01 -0.04 2.03 1.54 1ozhA1 PRO 373 HD2 -1.61 0.06 0.25 -0.04 3.68 2.35 1ozhA1 PRO 373 HD3 -0.63 0.40 0.36 -0.04 3.65 3.74 1ozhA1 LEU 374 H 0.31 0.10 -0.23 -0.55 8.37 8.01 1ozhA1 LEU 374 HA -0.13 0.12 0.36 -0.75 4.35 3.94 1ozhA1 LEU 374 HB2 -0.13 -0.11 0.03 -0.04 1.64 1.39 1ozhA1 LEU 374 HB3 -0.09 0.20 -0.01 -0.04 1.64 1.70 1ozhA1 LEU 374 HG 0.33 -0.16 0.03 -0.04 1.64 1.80 1ozhA1 LEU 374 HD13 0.02 0.04 -0.00 -0.04 0.93 0.95 1ozhA1 LEU 374 HD23 0.24 0.04 -0.01 -0.04 0.89 1.12 1ozhA1 ARG 375 H -0.09 0.10 -0.23 -0.55 8.46 7.69 1ozhA1 ARG 375 HA -0.11 0.19 0.47 -0.75 4.34 4.12 1ozhA1 ARG 375 HB2 -0.09 -0.01 0.19 -0.04 1.90 1.95 1ozhA1 ARG 375 HB3 -0.14 -0.04 0.18 -0.04 1.80 1.76 1ozhA1 ARG 375 HG2 -0.08 0.06 0.14 -0.04 1.67 1.75 1ozhA1 ARG 375 HG3 -0.12 -0.09 -0.10 -0.04 1.67 1.32 1ozhA1 ARG 375 HD2 -0.09 -0.06 0.16 -0.04 3.22 3.18 1ozhA1 ARG 375 HD3 -0.08 0.20 0.13 -0.04 3.22 3.43 1ozhA1 ILE 376 H -0.31 0.30 -0.20 -0.55 8.25 7.49 1ozhA1 ILE 376 HA -0.24 0.04 0.38 -0.75 4.18 3.60 1ozhA1 ILE 376 HB -0.85 0.09 0.07 -0.04 1.89 1.16 1ozhA1 ILE 376 HG12 -0.53 -0.01 -0.07 -0.04 1.49 0.84 1ozhA1 ILE 376 HG13 -0.56 0.15 -0.09 -0.04 1.21 0.66 1ozhA1 ILE 376 HG23 -0.73 -0.01 -0.14 -0.04 0.93 0.01 1ozhA1 ILE 376 HD13 -1.32 -0.02 -0.16 -0.04 0.88 -0.66 1ozhA1 VAL 377 H -0.08 0.57 -0.09 -0.55 8.24 8.09 1ozhA1 VAL 377 HA 0.26 -0.01 0.32 -0.75 4.13 3.94 1ozhA1 VAL 377 HB -0.14 0.09 0.09 -0.04 2.12 2.12 1ozhA1 VAL 377 HG13 -0.13 0.02 -0.17 -0.04 0.97 0.65 1ozhA1 VAL 377 HG23 0.41 0.00 -0.12 -0.04 0.95 1.20 1ozhA1 ARG 378 H -0.12 0.45 -0.28 -0.55 8.46 7.95 1ozhA1 ARG 378 HA -0.16 0.09 0.41 -0.75 4.34 3.93 1ozhA1 ARG 378 HB2 -0.12 0.10 0.14 -0.04 1.90 1.98 1ozhA1 ARG 378 HB3 -0.10 0.02 0.14 -0.04 1.80 1.82 1ozhA1 ARG 378 HG2 -0.08 -0.05 -0.11 -0.04 1.67 1.39 1ozhA1 ARG 378 HG3 -0.09 0.03 0.04 -0.04 1.67 1.61 1ozhA1 ARG 378 HD2 -0.05 0.05 -0.00 -0.04 3.22 3.17 1ozhA1 ARG 378 HD3 -0.07 0.03 0.01 -0.04 3.22 3.15 1ozhA1 ALA 379 H -0.09 0.47 -0.10 -0.55 8.40 8.14 1ozhA1 ALA 379 HA -0.06 0.06 0.44 -0.75 4.34 4.02 1ozhA1 ALA 379 HB3 -0.08 -0.01 0.05 -0.04 1.41 1.33 1ozhA1 MET 380 H 0.01 0.48 -0.31 -0.55 8.47 8.11 1ozhA1 MET 380 HA 0.08 0.00 0.41 -0.75 4.52 4.26 1ozhA1 MET 380 HB2 0.29 0.15 0.10 -0.04 2.15 2.64 1ozhA1 MET 380 HB3 0.42 -0.03 -0.07 -0.04 2.03 2.30 1ozhA1 MET 380 HG2 0.14 -0.04 -0.06 -0.04 2.63 2.63 1ozhA1 MET 380 HG3 0.12 0.11 -0.04 -0.04 2.56 2.71 1ozhA1 MET 380 HE3 0.14 0.00 -0.12 -0.04 2.10 2.09 1ozhA1 GLN 381 H -0.12 0.45 -0.21 -0.55 8.47 8.04 1ozhA1 GLN 381 HA -0.18 0.00 0.47 -0.75 4.36 3.89 1ozhA1 GLN 381 HB2 -0.24 0.08 0.12 -0.04 2.15 2.07 1ozhA1 GLN 381 HB3 -0.33 0.10 0.13 -0.04 2.02 1.87 1ozhA1 GLN 381 HG2 -1.98 -0.12 -0.07 -0.04 2.40 0.19 1ozhA1 GLN 381 HG3 -0.57 0.46 0.12 -0.04 2.39 2.36 1ozhA1 GLN 381 HE21 -0.20 -0.06 -0.04 -0.04 6.97 6.63 1ozhA1 GLN 381 HE22 -0.24 0.02 -0.00 -0.04 7.69 7.42 1ozhA1 ASP 382 H -0.05 0.22 -0.51 -0.55 8.40 7.51 1ozhA1 ASP 382 HA -0.04 0.08 0.44 -0.75 4.63 4.35 1ozhA1 ASP 382 HB2 -0.04 0.14 0.11 -0.04 2.71 2.88 1ozhA1 ASP 382 HB3 -0.03 -0.07 -0.02 -0.04 2.70 2.54 1ozhA1 ILE 383 H 0.01 0.25 -0.25 -0.55 8.25 7.71 1ozhA1 ILE 383 HA 0.00 0.18 0.75 -0.75 4.18 4.35 1ozhA1 ILE 383 HB 0.01 -0.01 0.03 -0.04 1.89 1.87 1ozhA1 ILE 383 HG12 0.03 0.09 0.11 -0.04 1.49 1.67 1ozhA1 ILE 383 HG13 0.06 0.10 -0.16 -0.04 1.21 1.16 1ozhA1 ILE 383 HG23 -0.03 -0.01 -0.15 -0.04 0.93 0.71 1ozhA1 ILE 383 HD13 0.00 -0.05 -0.09 -0.04 0.88 0.70 1ozhA1 VAL 384 H 0.07 0.30 -0.26 -0.55 8.24 7.80 1ozhA1 VAL 384 HA 0.07 0.10 0.79 -0.75 4.13 4.34 1ozhA1 VAL 384 HB 0.27 -0.01 0.10 -0.04 2.12 2.44 1ozhA1 VAL 384 HG13 0.13 -0.02 -0.25 -0.04 0.97 0.80 1ozhA1 VAL 384 HG23 0.16 0.03 -0.09 -0.04 0.95 1.01 1ozhA1 ASN 385 H 0.05 0.13 0.13 -0.55 8.53 8.30 1ozhA1 ASN 385 HA 0.04 0.27 0.80 -0.75 4.76 5.12 1ozhA1 ASN 385 HB2 0.02 -0.09 0.13 -0.04 2.88 2.90 1ozhA1 ASN 385 HB3 0.02 0.13 -0.11 -0.04 2.79 2.79 1ozhA1 ASN 385 HD21 0.02 0.03 -0.04 -0.04 7.03 7.00 1ozhA1 ASN 385 HD22 0.02 0.07 -0.11 -0.04 7.74 7.68 1ozhA1 SER 386 H 0.02 0.11 0.15 -0.55 8.46 8.20 1ozhA1 SER 386 HA 0.03 0.20 0.18 -0.75 4.49 4.15 1ozhA1 SER 386 HB2 0.01 0.03 0.12 -0.04 3.95 4.07 1ozhA1 SER 386 HB3 0.02 0.03 0.12 -0.04 3.93 4.06 1ozhA1 ASP 387 H 0.03 -0.02 -0.75 -0.55 8.40 7.11 1ozhA1 ASP 387 HA 0.02 0.23 0.93 -0.75 4.63 5.06 1ozhA1 ASP 387 HB2 0.03 -0.04 0.01 -0.04 2.71 2.67 1ozhA1 ASP 387 HB3 0.03 0.02 0.15 -0.04 2.70 2.86 1ozhA1 VAL 388 H 0.04 0.61 0.16 -0.55 8.24 8.50 1ozhA1 VAL 388 HA 0.06 0.39 1.10 -0.75 4.13 4.93 1ozhA1 VAL 388 HB 0.06 -0.12 0.21 -0.04 2.12 2.22 1ozhA1 VAL 388 HG13 0.06 0.04 -0.18 -0.04 0.97 0.85 1ozhA1 VAL 388 HG23 0.05 0.04 -0.01 -0.04 0.95 0.98 1ozhA1 THR 389 H 0.07 0.53 0.37 -0.55 8.28 8.70 1ozhA1 THR 389 HA 0.03 0.13 0.90 -0.75 4.39 4.69 1ozhA1 THR 389 HB 0.08 -0.02 0.10 -0.04 4.32 4.44 1ozhA1 THR 389 HG23 0.02 -0.01 -0.21 -0.04 1.22 0.98 1ozhA1 LEU 390 H 0.00 0.65 0.38 -0.55 8.37 8.85 1ozhA1 LEU 390 HA 0.02 0.36 1.11 -0.75 4.35 5.09 1ozhA1 LEU 390 HB2 -0.02 0.03 -0.06 -0.04 1.64 1.54 1ozhA1 LEU 390 HB3 -0.07 -0.02 0.12 -0.04 1.64 1.63 1ozhA1 LEU 390 HG -0.11 -0.06 -0.41 -0.04 1.64 1.01 1ozhA1 LEU 390 HD13 -0.04 0.05 -0.06 -0.04 0.93 0.84 1ozhA1 LEU 390 HD23 -0.47 -0.02 -0.14 -0.04 0.89 0.23 1ozhA1 THR 391 H 0.06 0.63 0.42 -0.55 8.28 8.84 1ozhA1 THR 391 HA 0.12 0.25 1.07 -0.75 4.39 5.07 1ozhA1 THR 391 HB 0.50 -0.02 0.02 -0.04 4.32 4.78 1ozhA1 THR 391 HG23 0.15 0.02 -0.33 -0.04 1.22 1.02 1ozhA1 VAL 392 H 0.28 0.82 0.35 -0.55 8.24 9.14 1ozhA1 VAL 392 HA 0.09 0.11 1.14 -0.75 4.13 4.72 1ozhA1 VAL 392 HB 0.01 0.04 0.18 -0.04 2.12 2.31 1ozhA1 VAL 392 HG13 0.02 0.03 -0.06 -0.04 0.97 0.92 1ozhA1 VAL 392 HG23 -0.10 0.03 -0.29 -0.04 0.95 0.55 1ozhA1 ASP 393 H 0.21 0.50 0.30 -0.55 8.40 8.87 1ozhA1 ASP 393 HA -0.01 0.11 0.55 -0.75 4.63 4.53 1ozhA1 ASP 393 HB2 0.04 0.18 0.21 -0.04 2.71 3.10 1ozhA1 ASP 393 HB3 0.36 -0.11 0.21 -0.04 2.70 3.11 1ozhA1 MET 394 H 0.10 -0.03 0.22 -0.55 8.47 8.21 1ozhA1 MET 394 HA -0.20 0.30 1.00 -0.75 4.52 4.86 1ozhA1 MET 394 HB2 -0.13 0.16 -0.25 -0.04 2.15 1.88 1ozhA1 MET 394 HB3 -0.09 -0.10 -0.15 -0.04 2.03 1.65 1ozhA1 MET 394 HG2 -0.19 0.15 -0.10 -0.04 2.63 2.45 1ozhA1 MET 394 HG3 -0.19 -0.12 -0.19 -0.04 2.56 2.01 1ozhA1 MET 394 HE3 -0.52 0.04 -0.01 -0.04 2.10 1.57 1ozhA1 GLY 395 H -0.52 0.44 0.22 -0.55 8.43 8.02 1ozhA1 GLY 395 HA2 -0.17 0.08 0.37 -0.51 4.01 3.78 1ozhA1 GLY 395 HA3 -0.14 0.00 0.59 -0.51 4.01 3.96 1ozhA1 SER 396 H -0.14 0.03 0.19 -0.55 8.46 8.00 1ozhA1 SER 396 HA -0.21 0.19 0.39 -0.75 4.49 4.10 1ozhA1 SER 396 HB2 -0.57 -0.05 0.09 -0.04 3.95 3.38 1ozhA1 SER 396 HB3 -0.25 0.13 0.02 -0.04 3.93 3.78 1ozhA1 PHE 397 H -0.07 0.01 -0.25 -0.55 8.34 7.47 1ozhA1 PHE 397 HA -0.38 0.10 0.34 -0.75 4.62 3.92 1ozhA1 PHE 397 HB2 -2.14 0.15 -0.09 -0.04 3.15 1.03 1ozhA1 PHE 397 HB3 -0.95 -0.03 -0.02 -0.04 3.06 2.02 1ozhA1 PHE 397 HD2 -0.23 0.04 -0.29 -0.04 7.28 6.76 1ozhA1 PHE 397 HE2 -0.04 0.07 -0.16 -0.04 7.38 7.21 1ozhA1 PHE 397 HZ -0.04 -0.08 -0.45 -0.04 7.32 6.70 1ozhA1 HIS 398 H -1.22 0.22 -0.48 -0.55 8.41 6.38 1ozhA1 HIS 398 HA -0.22 0.13 0.38 -0.75 4.63 4.16 1ozhA1 HIS 398 HB2 -0.69 0.02 0.11 -0.04 3.26 2.67 1ozhA1 HIS 398 HB3 -0.51 0.07 0.19 -0.04 3.20 2.91 1ozhA1 HIS 398 HD2 -0.24 -0.05 -0.43 -0.04 6.97 6.21 1ozhA1 HIS 398 HE1 -0.03 0.47 -0.01 -0.04 7.75 8.14 1ozhA1 ILE 399 H -0.14 0.19 -0.14 -0.55 8.25 7.61 1ozhA1 ILE 399 HA 0.02 0.08 0.35 -0.75 4.18 3.89 1ozhA1 ILE 399 HB -0.21 0.05 0.09 -0.04 1.89 1.78 1ozhA1 ILE 399 HG12 -0.20 -0.06 0.08 -0.04 1.49 1.27 1ozhA1 ILE 399 HG13 -0.19 -0.01 0.01 -0.04 1.21 0.98 1ozhA1 ILE 399 HG23 -0.11 0.01 -0.11 -0.04 0.93 0.68 1ozhA1 ILE 399 HD13 -0.21 0.01 -0.05 -0.04 0.88 0.59 1ozhA1 TRP 400 H 0.18 0.28 -0.19 -0.55 7.97 7.69 1ozhA1 TRP 400 HA 0.25 0.06 0.34 -0.75 4.62 4.52 1ozhA1 TRP 400 HB2 0.07 0.03 0.10 -0.04 3.23 3.39 1ozhA1 TRP 400 HB3 0.35 0.06 -0.10 -0.04 3.23 3.50 1ozhA1 TRP 400 HD1 0.16 0.01 -0.25 -0.04 7.22 7.10 1ozhA1 TRP 400 HE1 0.21 -0.09 -0.06 -0.04 10.20 10.22 1ozhA1 TRP 400 HE3 0.35 0.11 -0.08 -0.04 7.59 7.92 1ozhA1 TRP 400 HZ2 0.12 -0.09 -0.23 -0.04 7.44 7.20 1ozhA1 TRP 400 HZ3 0.31 0.12 -0.05 -0.04 7.13 7.47 1ozhA1 TRP 400 HH2 0.23 0.04 -0.06 -0.04 7.19 7.36 1ozhA1 ILE 401 H 0.19 0.51 -0.19 -0.55 8.25 8.21 1ozhA1 ILE 401 HA 0.39 0.06 0.29 -0.75 4.18 4.18 1ozhA1 ILE 401 HB -0.07 0.03 0.10 -0.04 1.89 1.91 1ozhA1 ILE 401 HG12 0.20 0.04 -0.07 -0.04 1.49 1.63 1ozhA1 ILE 401 HG13 0.14 -0.04 -0.01 -0.04 1.21 1.27 1ozhA1 ILE 401 HG23 -0.27 0.01 -0.21 -0.04 0.93 0.42 1ozhA1 ILE 401 HD13 -0.01 -0.03 -0.14 -0.04 0.88 0.66 1ozhA1 ALA 402 H 0.06 0.58 -0.19 -0.55 8.40 8.30 1ozhA1 ALA 402 HA 0.16 0.02 0.34 -0.75 4.34 4.11 1ozhA1 ALA 402 HB3 0.14 0.00 0.06 -0.04 1.41 1.56 1ozhA1 ARG 403 H 0.25 0.49 -0.30 -0.55 8.46 8.35 1ozhA1 ARG 403 HA -0.58 -0.04 0.41 -0.75 4.34 3.38 1ozhA1 ARG 403 HB2 -0.27 -0.05 0.09 -0.04 1.90 1.63 1ozhA1 ARG 403 HB3 0.12 0.19 0.15 -0.04 1.80 2.21 1ozhA1 ARG 403 HG2 -0.28 -0.06 -0.02 -0.04 1.67 1.27 1ozhA1 ARG 403 HG3 -0.79 0.05 -0.16 -0.04 1.67 0.73 1ozhA1 ARG 403 HD2 -1.03 -0.05 0.03 -0.04 3.22 2.13 1ozhA1 ARG 403 HD3 -0.47 0.00 0.01 -0.04 3.22 2.72 1ozhA1 TYR 404 H 0.32 0.38 -0.38 -0.55 8.29 8.06 1ozhA1 TYR 404 HA -0.35 0.16 0.88 -0.75 4.56 4.50 1ozhA1 TYR 404 HB2 0.17 0.04 0.03 -0.04 3.06 3.26 1ozhA1 TYR 404 HB3 -0.23 -0.02 0.12 -0.04 2.98 2.80 1ozhA1 TYR 404 HD2 0.09 0.16 -0.05 -0.04 7.15 7.30 1ozhA1 TYR 404 HE2 0.28 0.01 -0.22 -0.04 6.85 6.88 1ozhA1 LEU 405 H 0.16 0.42 -0.28 -0.55 8.37 8.12 1ozhA1 LEU 405 HA 0.31 0.06 0.36 -0.75 4.35 4.32 1ozhA1 LEU 405 HB2 0.22 0.08 0.16 -0.04 1.64 2.05 1ozhA1 LEU 405 HB3 0.17 0.02 -0.04 -0.04 1.64 1.75 1ozhA1 LEU 405 HG 0.14 -0.02 -0.01 -0.04 1.64 1.71 1ozhA1 LEU 405 HD13 0.20 -0.01 -0.01 -0.04 0.93 1.07 1ozhA1 LEU 405 HD23 0.01 0.00 -0.07 -0.04 0.89 0.79 1ozhA1 TYR 406 H 0.14 0.12 -0.30 -0.55 8.29 7.69 1ozhA1 TYR 406 HA 0.13 -0.02 0.42 -0.75 4.56 4.33 1ozhA1 TYR 406 HB2 0.12 -0.01 0.10 -0.04 3.06 3.22 1ozhA1 TYR 406 HB3 0.15 -0.06 0.10 -0.04 2.98 3.13 1ozhA1 TYR 406 HD2 0.02 -0.00 -0.15 -0.04 7.15 6.97 1ozhA1 TYR 406 HE2 -0.14 0.10 0.03 -0.04 6.85 6.80 1ozhA1 THR 407 H -0.43 0.45 -0.48 -0.55 8.28 7.28 1ozhA1 THR 407 HA 0.00 0.20 0.89 -0.75 4.39 4.72 1ozhA1 THR 407 HB -0.23 -0.00 0.11 -0.04 4.32 4.15 1ozhA1 THR 407 HG23 0.13 -0.02 -0.06 -0.04 1.22 1.24 1ozhA1 PHE 408 H 0.16 0.43 -0.14 -0.55 8.34 8.23 1ozhA1 PHE 408 HA 0.00 0.17 0.83 -0.75 4.62 4.86 1ozhA1 PHE 408 HB2 0.01 0.08 0.12 -0.04 3.15 3.32 1ozhA1 PHE 408 HB3 0.01 -0.09 -0.05 -0.04 3.06 2.88 1ozhA1 PHE 408 HD2 0.02 0.07 -0.11 -0.04 7.28 7.22 1ozhA1 PHE 408 HE2 0.07 -0.04 -0.22 -0.04 7.38 7.14 1ozhA1 PHE 408 HZ 0.10 -0.11 -0.08 -0.04 7.32 7.19 1ozhA1 ARG 409 H 0.11 0.32 0.01 -0.55 8.46 8.34 1ozhA1 ARG 409 HA 0.06 0.22 0.80 -0.75 4.34 4.66 1ozhA1 ARG 409 HB2 0.03 0.07 0.12 -0.04 1.90 2.08 1ozhA1 ARG 409 HB3 0.03 -0.06 0.12 -0.04 1.80 1.85 1ozhA1 ARG 409 HG2 0.02 -0.05 -0.05 -0.04 1.67 1.55 1ozhA1 ARG 409 HG3 0.03 0.04 -0.28 -0.04 1.67 1.42 1ozhA1 ARG 409 HD2 -0.01 0.01 -0.16 -0.04 3.22 3.02 1ozhA1 ARG 409 HD3 -0.00 0.01 -0.00 -0.04 3.22 3.18 1ozhA1 ALA 410 H 0.12 0.04 -0.45 -0.55 8.40 7.55 1ozhA1 ALA 410 HA 0.06 0.26 0.20 -0.75 4.34 4.11 1ozhA1 ALA 410 HB3 0.04 -0.01 -0.06 -0.04 1.41 1.34 1ozhA1 ARG 411 H 0.03 0.50 0.14 -0.55 8.46 8.58 1ozhA1 ARG 411 HA 0.01 0.08 0.44 -0.75 4.34 4.11 1ozhA1 ARG 411 HB2 0.02 0.03 -0.34 -0.04 1.90 1.57 1ozhA1 ARG 411 HB3 0.02 -0.08 -0.23 -0.04 1.80 1.46 1ozhA1 ARG 411 HG2 -0.00 -0.04 -0.09 -0.04 1.67 1.49 1ozhA1 ARG 411 HG3 0.00 0.06 0.10 -0.04 1.67 1.79 1ozhA1 ARG 411 HD2 0.01 0.02 -0.04 -0.04 3.22 3.17 1ozhA1 ARG 411 HD3 0.01 -0.03 -0.15 -0.04 3.22 3.01 1ozhA1 GLN 412 H 0.01 0.19 -0.11 -0.55 8.47 8.01 1ozhA1 GLN 412 HA -0.02 0.17 0.43 -0.75 4.36 4.17 1ozhA1 GLN 412 HB2 -0.02 0.15 -0.34 -0.04 2.15 1.90 1ozhA1 GLN 412 HB3 -0.02 -0.10 -0.13 -0.04 2.02 1.73 1ozhA1 GLN 412 HG2 -0.05 -0.15 -0.01 -0.04 2.40 2.14 1ozhA1 GLN 412 HG3 -0.04 0.12 -0.01 -0.04 2.39 2.41 1ozhA1 GLN 412 HE21 -0.11 -0.03 -0.16 -0.04 6.97 6.63 1ozhA1 GLN 412 HE22 -0.09 0.05 -0.12 -0.04 7.69 7.49 1ozhA1 VAL 413 H -0.05 0.25 0.05 -0.55 8.24 7.95 1ozhA1 VAL 413 HA -0.05 0.31 1.12 -0.75 4.13 4.76 1ozhA1 VAL 413 HB -0.04 -0.01 0.01 -0.04 2.12 2.04 1ozhA1 VAL 413 HG13 -0.09 -0.04 -0.33 -0.04 0.97 0.47 1ozhA1 VAL 413 HG23 -0.04 0.01 -0.24 -0.04 0.95 0.63 1ozhA1 MET 414 H -0.07 0.75 0.31 -0.55 8.47 8.91 1ozhA1 MET 414 HA -0.27 0.14 0.84 -0.75 4.52 4.47 1ozhA1 MET 414 HB2 -0.15 -0.08 0.21 -0.04 2.15 2.09 1ozhA1 MET 414 HB3 -0.98 -0.01 0.01 -0.04 2.03 1.01 1ozhA1 MET 414 HG2 -0.37 0.09 -0.08 -0.04 2.63 2.23 1ozhA1 MET 414 HG3 -0.18 0.02 -0.17 -0.04 2.56 2.18 1ozhA1 MET 414 HE3 -1.21 0.00 -0.10 -0.04 2.10 0.75 1ozhA1 ILE 415 H -0.09 0.07 0.16 -0.55 8.25 7.84 1ozhA1 ILE 415 HA 0.19 0.19 0.86 -0.75 4.18 4.66 1ozhA1 ILE 415 HB -0.07 0.04 -0.29 -0.04 1.89 1.53 1ozhA1 ILE 415 HG12 -0.20 -0.05 -0.21 -0.04 1.49 0.99 1ozhA1 ILE 415 HG13 -0.36 -0.00 0.03 -0.04 1.21 0.83 1ozhA1 ILE 415 HG23 0.04 0.03 -0.09 -0.04 0.93 0.87 1ozhA1 ILE 415 HD13 -0.34 0.00 -0.11 -0.04 0.88 0.40 1ozhA1 SER 416 H 0.03 0.07 0.16 -0.55 8.46 8.18 1ozhA1 SER 416 HA 0.14 -0.06 0.32 -0.75 4.49 4.14 1ozhA1 SER 416 HB2 0.08 0.26 0.03 -0.04 3.95 4.29 1ozhA1 SER 416 HB3 0.02 0.08 0.10 -0.04 3.93 4.10 1ozhA1 ASN 417 H 0.08 0.09 0.02 -0.55 8.53 8.17 1ozhA1 ASN 417 HA 0.17 0.13 0.61 -0.75 4.76 4.91 1ozhA1 ASN 417 HB2 0.28 0.34 -0.39 -0.04 2.88 3.08 1ozhA1 ASN 417 HB3 -0.00 -0.05 0.11 -0.04 2.79 2.81 1ozhA1 ASN 417 HD21 -0.15 0.32 0.01 -0.04 7.03 7.18 1ozhA1 ASN 417 HD22 -0.02 0.06 -0.13 -0.04 7.74 7.61 1ozhA1 GLY 418 H 0.06 0.28 0.04 -0.55 8.43 8.26 1ozhA1 GLY 418 HA2 -0.01 0.09 0.40 -0.51 4.01 3.98 1ozhA1 GLY 418 HA3 0.02 0.15 0.32 -0.51 4.01 3.99 1ozhA1 GLN 419 H 0.03 0.08 -0.19 -0.55 8.47 7.84 1ozhA1 GLN 419 HA -0.02 0.18 0.48 -0.75 4.36 4.25 1ozhA1 GLN 419 HB2 0.03 -0.08 -0.02 -0.04 2.15 2.03 1ozhA1 GLN 419 HB3 -0.00 -0.00 0.01 -0.04 2.02 1.99 1ozhA1 GLN 419 HG2 0.03 -0.02 -0.03 -0.04 2.40 2.34 1ozhA1 GLN 419 HG3 0.03 0.04 -0.12 -0.04 2.39 2.30 1ozhA1 GLN 419 HE21 -0.01 0.03 -0.05 -0.04 6.97 6.90 1ozhA1 GLN 419 HE22 0.00 -0.03 -0.12 -0.04 7.69 7.50 1ozhA1 GLN 420 H -0.04 0.31 -0.60 -0.55 8.47 7.59 1ozhA1 GLN 420 HA -0.13 0.06 0.23 -0.75 4.36 3.76 1ozhA1 GLN 420 HB2 -0.09 0.20 -0.25 -0.04 2.15 1.97 1ozhA1 GLN 420 HB3 -0.13 -0.17 0.17 -0.04 2.02 1.84 1ozhA1 GLN 420 HG2 -0.23 -0.09 0.02 -0.04 2.40 2.05 1ozhA1 GLN 420 HG3 -0.13 0.21 -0.10 -0.04 2.39 2.33 1ozhA1 GLN 420 HE21 -0.10 -0.03 -0.01 -0.04 6.97 6.79 1ozhA1 GLN 420 HE22 -0.11 0.11 -0.00 -0.04 7.69 7.65 1ozhA1 THR 421 H -0.05 0.04 -0.27 -0.55 8.28 7.45 1ozhA1 THR 421 HA -0.07 0.10 0.43 -0.75 4.39 4.10 1ozhA1 THR 421 HB -0.11 -0.03 0.03 -0.04 4.32 4.17 1ozhA1 THR 421 HG23 0.03 0.03 -0.17 -0.04 1.22 1.06 1ozhA1 MET 422 H -0.09 0.19 0.21 -0.55 8.47 8.24 1ozhA1 MET 422 HA -0.10 -0.07 0.70 -0.75 4.52 4.29 1ozhA1 MET 422 HB2 0.01 -0.19 0.16 -0.04 2.15 2.08 1ozhA1 MET 422 HB3 -0.04 0.10 0.14 -0.04 2.03 2.18 1ozhA1 MET 422 HG2 -0.07 0.05 0.11 -0.04 2.63 2.69 1ozhA1 MET 422 HG3 -0.04 0.03 -0.17 -0.04 2.56 2.34 1ozhA1 MET 422 HE3 0.12 -0.04 -0.30 -0.04 2.10 1.85 1ozhA1 GLY 423 H -0.11 -0.05 0.21 -0.55 8.43 7.94 1ozhA1 GLY 423 HA2 -0.13 0.12 0.31 -0.51 4.01 3.80 1ozhA1 GLY 423 HA3 -0.16 0.24 0.61 -0.51 4.01 4.18 1ozhA1 VAL 424 H -0.59 0.16 -0.29 -0.55 8.24 6.97 1ozhA1 VAL 424 HA -1.46 0.12 0.26 -0.75 4.13 2.29 1ozhA1 VAL 424 HB -3.20 0.09 -0.10 -0.04 2.12 -1.14 1ozhA1 VAL 424 HG13 -1.24 0.02 -0.15 -0.04 0.97 -0.44 1ozhA1 VAL 424 HG23 -0.87 0.00 -0.04 -0.04 0.95 0.01 1ozhA1 ALA 425 H -0.32 -0.09 -0.25 -0.55 8.40 7.19 1ozhA1 ALA 425 HA 0.09 0.15 0.08 -0.75 4.34 3.91 1ozhA1 ALA 425 HB3 0.08 -0.02 -0.19 -0.04 1.41 1.24 1ozhA1 LEU 426 H -0.01 0.03 -0.23 -0.55 8.37 7.61 1ozhA1 LEU 426 HA 0.11 0.09 0.27 -0.75 4.35 4.07 1ozhA1 LEU 426 HB2 -0.27 -0.07 -0.06 -0.04 1.64 1.20 1ozhA1 LEU 426 HB3 -0.13 0.05 -0.04 -0.04 1.64 1.48 1ozhA1 LEU 426 HG -0.06 0.03 -0.32 -0.04 1.64 1.24 1ozhA1 LEU 426 HD13 -0.03 0.01 -0.11 -0.04 0.93 0.76 1ozhA1 LEU 426 HD23 -0.21 0.02 -0.21 -0.04 0.89 0.45 1ozhA1 PRO 427 HA 0.05 0.05 0.36 -0.51 4.44 4.39 1ozhA1 PRO 427 HB2 0.02 0.08 -0.04 -0.04 2.28 2.30 1ozhA1 PRO 427 HB3 0.13 0.04 0.09 -0.04 2.02 2.24 1ozhA1 PRO 427 HG2 0.05 0.06 0.02 -0.04 2.03 2.12 1ozhA1 PRO 427 HG3 0.02 -0.03 0.05 -0.04 2.03 2.03 1ozhA1 PRO 427 HD2 -0.26 0.17 -0.38 -0.04 3.68 3.16 1ozhA1 PRO 427 HD3 -0.11 -0.04 -0.01 -0.04 3.65 3.45 1ozhA1 TRP 428 H 0.03 0.60 -0.24 -0.55 7.97 7.81 1ozhA1 TRP 428 HA 0.02 0.07 0.29 -0.75 4.62 4.24 1ozhA1 TRP 428 HB2 -0.02 0.06 0.03 -0.04 3.23 3.27 1ozhA1 TRP 428 HB3 0.01 -0.00 -0.13 -0.04 3.23 3.07 1ozhA1 TRP 428 HD1 0.04 0.18 -0.09 -0.04 7.22 7.31 1ozhA1 TRP 428 HE1 0.07 -0.01 -0.08 -0.04 10.20 10.14 1ozhA1 TRP 428 HE3 -0.03 -0.07 -0.19 -0.04 7.59 7.27 1ozhA1 TRP 428 HZ2 -0.02 -0.01 -0.10 -0.04 7.44 7.27 1ozhA1 TRP 428 HZ3 -0.00 0.24 -0.17 -0.04 7.13 7.15 1ozhA1 TRP 428 HH2 -0.02 0.14 -0.15 -0.04 7.19 7.13 1ozhA1 ALA 429 H 0.23 0.53 -0.25 -0.55 8.40 8.35 1ozhA1 ALA 429 HA 0.18 0.04 0.28 -0.75 4.34 4.09 1ozhA1 ALA 429 HB3 0.15 0.01 -0.08 -0.04 1.41 1.45 1ozhA1 ILE 430 H 0.14 0.46 -0.15 -0.55 8.25 8.16 1ozhA1 ILE 430 HA 0.23 0.06 0.34 -0.75 4.18 4.05 1ozhA1 ILE 430 HB 0.11 0.03 0.09 -0.04 1.89 2.08 1ozhA1 ILE 430 HG12 0.04 0.02 -0.06 -0.04 1.49 1.45 1ozhA1 ILE 430 HG13 0.07 0.10 -0.04 -0.04 1.21 1.29 1ozhA1 ILE 430 HG23 0.22 -0.00 -0.18 -0.04 0.93 0.93 1ozhA1 ILE 430 HD13 0.03 -0.04 -0.12 -0.04 0.88 0.70 1ozhA1 GLY 431 H 0.14 0.52 -0.16 -0.55 8.43 8.39 1ozhA1 GLY 431 HA2 0.19 0.01 0.36 -0.51 4.01 4.06 1ozhA1 GLY 431 HA3 0.07 0.10 0.36 -0.51 4.01 4.02 1ozhA1 ALA 432 H 0.17 0.52 -0.22 -0.55 8.40 8.32 1ozhA1 ALA 432 HA 0.08 0.04 0.30 -0.75 4.34 4.00 1ozhA1 ALA 432 HB3 0.10 0.00 -0.01 -0.04 1.41 1.46 1ozhA1 TRP 433 H 0.35 0.55 -0.22 -0.55 7.97 8.11 1ozhA1 TRP 433 HA 0.05 0.12 0.24 -0.75 4.62 4.28 1ozhA1 TRP 433 HB2 0.06 -0.02 -0.03 -0.04 3.23 3.20 1ozhA1 TRP 433 HB3 0.08 0.02 0.04 -0.04 3.23 3.34 1ozhA1 TRP 433 HD1 0.05 0.24 0.09 -0.04 7.22 7.55 1ozhA1 TRP 433 HE1 0.04 0.30 0.18 -0.04 10.20 10.68 1ozhA1 TRP 433 HE3 0.09 0.03 -0.16 -0.04 7.59 7.51 1ozhA1 TRP 433 HZ2 0.04 0.09 0.07 -0.04 7.44 7.60 1ozhA1 TRP 433 HZ3 0.07 -0.03 -0.09 -0.04 7.13 7.04 1ozhA1 TRP 433 HH2 0.05 0.11 -0.05 -0.04 7.19 7.26 1ozhA1 LEU 434 H 0.27 0.39 -0.34 -0.55 8.37 8.14 1ozhA1 LEU 434 HA -0.44 0.05 0.37 -0.75 4.35 3.57 1ozhA1 LEU 434 HB2 0.24 0.12 0.07 -0.04 1.64 2.02 1ozhA1 LEU 434 HB3 0.08 -0.06 -0.02 -0.04 1.64 1.60 1ozhA1 LEU 434 HG 0.52 0.10 -0.00 -0.04 1.64 2.21 1ozhA1 LEU 434 HD13 0.45 -0.05 -0.11 -0.04 0.93 1.19 1ozhA1 LEU 434 HD23 0.19 -0.00 -0.03 -0.04 0.89 1.01 1ozhA1 VAL 435 H -0.01 0.30 -0.44 -0.55 8.24 7.55 1ozhA1 VAL 435 HA -0.04 0.01 0.50 -0.75 4.13 3.85 1ozhA1 VAL 435 HB -0.01 0.16 0.09 -0.04 2.12 2.32 1ozhA1 VAL 435 HG13 -0.02 -0.03 -0.08 -0.04 0.97 0.81 1ozhA1 VAL 435 HG23 0.05 0.03 0.04 -0.04 0.95 1.03 1ozhA1 ASN 436 H -0.16 0.34 -0.31 -0.55 8.53 7.85 1ozhA1 ASN 436 HA -0.15 0.11 0.75 -0.75 4.76 4.72 1ozhA1 ASN 436 HB2 -0.05 0.04 0.12 -0.04 2.88 2.95 1ozhA1 ASN 436 HB3 -0.06 -0.10 0.14 -0.04 2.79 2.72 1ozhA1 ASN 436 HD21 -0.02 0.00 -0.11 -0.04 7.03 6.86 1ozhA1 ASN 436 HD22 -0.02 0.01 -0.09 -0.04 7.74 7.59 1ozhA1 PRO 437 HA -1.71 0.16 0.52 -0.51 4.44 2.89 1ozhA1 PRO 437 HB2 -0.53 -0.03 0.05 -0.04 2.28 1.73 1ozhA1 PRO 437 HB3 -1.56 0.02 0.09 -0.04 2.02 0.53 1ozhA1 PRO 437 HG2 -0.25 -0.07 0.02 -0.04 2.03 1.68 1ozhA1 PRO 437 HG3 -0.34 0.02 0.04 -0.04 2.03 1.71 1ozhA1 PRO 437 HD2 -0.24 0.08 -0.05 -0.04 3.68 3.43 1ozhA1 PRO 437 HD3 -0.42 0.34 -0.31 -0.04 3.65 3.21 1ozhA1 GLU 438 H -0.14 0.03 -0.43 -0.55 8.60 7.52 1ozhA1 GLU 438 HA 0.06 0.12 0.60 -0.75 4.29 4.31 1ozhA1 GLU 438 HB2 0.02 -0.04 0.13 -0.04 2.09 2.16 1ozhA1 GLU 438 HB3 -0.02 -0.04 0.06 -0.04 1.99 1.94 1ozhA1 GLU 438 HG2 0.00 0.04 -0.21 -0.04 2.34 2.12 1ozhA1 GLU 438 HG3 -0.01 -0.06 -0.01 -0.04 2.34 2.22 1ozhA1 ARG 439 H 0.00 0.45 -0.18 -0.55 8.46 8.18 1ozhA1 ARG 439 HA 0.09 0.12 0.97 -0.75 4.34 4.76 1ozhA1 ARG 439 HB2 0.05 0.08 0.11 -0.04 1.90 2.10 1ozhA1 ARG 439 HB3 0.08 0.14 0.23 -0.04 1.80 2.21 1ozhA1 ARG 439 HG2 0.04 -0.02 0.05 -0.04 1.67 1.70 1ozhA1 ARG 439 HG3 0.01 -0.13 -0.11 -0.04 1.67 1.41 1ozhA1 ARG 439 HD2 0.01 -0.03 0.01 -0.04 3.22 3.17 1ozhA1 ARG 439 HD3 0.03 0.20 0.07 -0.04 3.22 3.48 1ozhA1 LYS 440 H 0.11 0.12 0.25 -0.55 8.42 8.35 1ozhA1 LYS 440 HA 0.20 0.31 0.88 -0.75 4.32 4.96 1ozhA1 LYS 440 HB2 0.09 0.03 0.10 -0.04 1.87 2.04 1ozhA1 LYS 440 HB3 0.08 -0.11 0.11 -0.04 1.79 1.83 1ozhA1 LYS 440 HG2 0.04 -0.06 -0.02 -0.04 1.46 1.38 1ozhA1 LYS 440 HG3 0.06 -0.03 -0.00 -0.04 1.46 1.44 1ozhA1 LYS 440 HD2 0.04 0.17 0.07 -0.04 1.69 1.93 1ozhA1 LYS 440 HD3 0.05 0.04 0.05 -0.04 1.68 1.77 1ozhA1 LYS 440 HE2 0.01 -0.12 0.06 -0.04 2.99 2.91 1ozhA1 LYS 440 HE3 0.01 -0.17 -0.16 -0.04 2.99 2.62 1ozhA1 VAL 441 H 0.11 0.60 0.42 -0.55 8.24 8.82 1ozhA1 VAL 441 HA 0.10 0.15 1.07 -0.75 4.13 4.70 1ozhA1 VAL 441 HB 0.15 -0.05 0.01 -0.04 2.12 2.18 1ozhA1 VAL 441 HG13 0.12 -0.05 -0.19 -0.04 0.97 0.82 1ozhA1 VAL 441 HG23 0.26 0.03 -0.24 -0.04 0.95 0.96 1ozhA1 VAL 442 H 0.06 0.85 0.40 -0.55 8.24 9.00 1ozhA1 VAL 442 HA 0.03 0.24 1.15 -0.75 4.13 4.81 1ozhA1 VAL 442 HB 0.04 -0.02 0.14 -0.04 2.12 2.23 1ozhA1 VAL 442 HG13 0.01 -0.03 -0.15 -0.04 0.97 0.77 1ozhA1 VAL 442 HG23 0.03 0.01 -0.14 -0.04 0.95 0.82 1ozhA1 SER 443 H 0.03 0.72 0.36 -0.55 8.46 9.02 1ozhA1 SER 443 HA 0.05 0.25 1.06 -0.75 4.49 5.09 1ozhA1 SER 443 HB2 0.20 -0.21 -0.31 -0.04 3.95 3.60 1ozhA1 SER 443 HB3 0.16 0.10 -0.17 -0.04 3.93 3.98 1ozhA1 VAL 444 H -0.06 0.59 0.33 -0.55 8.24 8.55 1ozhA1 VAL 444 HA -0.43 0.26 1.11 -0.75 4.13 4.33 1ozhA1 VAL 444 HB -0.06 0.09 -0.09 -0.04 2.12 2.03 1ozhA1 VAL 444 HG13 -0.06 0.03 0.05 -0.04 0.97 0.95 1ozhA1 VAL 444 HG23 -0.24 -0.04 -0.15 -0.04 0.95 0.48 1ozhA1 SER 445 H -0.48 0.81 0.41 -0.55 8.46 8.65 1ozhA1 SER 445 HA -0.97 0.04 0.65 -0.75 4.49 3.45 1ozhA1 SER 445 HB2 -0.02 -0.24 0.16 -0.04 3.95 3.81 1ozhA1 SER 445 HB3 0.05 0.04 -0.24 -0.04 3.93 3.75 1ozhA1 GLY 446 H -0.17 0.03 0.20 -0.55 8.43 7.95 1ozhA1 GLY 446 HA2 -0.06 0.36 0.95 -0.51 4.01 4.75 1ozhA1 GLY 446 HA3 0.21 -0.06 0.49 -0.51 4.01 4.14 1ozhA1 ASP 447 H 0.18 0.21 0.30 -0.55 8.40 8.55 1ozhA1 ASP 447 HA 0.03 0.17 0.48 -0.75 4.63 4.56 1ozhA1 ASP 447 HB2 0.42 0.13 0.01 -0.04 2.71 3.23 1ozhA1 ASP 447 HB3 0.20 0.07 0.11 -0.04 2.70 3.04 1ozhA1 GLY 448 H 0.34 0.03 -0.02 -0.55 8.43 8.23 1ozhA1 GLY 448 HA2 0.16 0.19 0.43 -0.51 4.01 4.28 1ozhA1 GLY 448 HA3 0.50 0.06 0.29 -0.51 4.01 4.34 1ozhA1 GLY 449 H 0.21 -0.01 -0.06 -0.55 8.43 8.03 1ozhA1 GLY 449 HA2 0.04 0.13 0.39 -0.51 4.01 4.06 1ozhA1 GLY 449 HA3 0.09 -0.08 0.38 -0.51 4.01 3.89 1ozhA1 PHE 450 H 0.19 0.39 -0.28 -0.55 8.34 8.10 1ozhA1 PHE 450 HA -0.09 0.01 0.27 -0.75 4.62 4.06 1ozhA1 PHE 450 HB2 -0.05 0.06 -0.00 -0.04 3.15 3.12 1ozhA1 PHE 450 HB3 -0.09 0.05 0.10 -0.04 3.06 3.08 1ozhA1 PHE 450 HD2 -0.22 -0.02 -0.10 -0.04 7.28 6.90 1ozhA1 PHE 450 HE2 -0.26 0.04 -0.11 -0.04 7.38 7.01 1ozhA1 PHE 450 HZ 0.21 0.08 -0.10 -0.04 7.32 7.47 1ozhA1 LEU 451 H 0.05 0.42 -0.22 -0.55 8.37 8.07 1ozhA1 LEU 451 HA -0.37 0.02 0.44 -0.75 4.35 3.69 1ozhA1 LEU 451 HB2 -0.06 0.10 0.11 -0.04 1.64 1.76 1ozhA1 LEU 451 HB3 -0.09 0.02 0.02 -0.04 1.64 1.55 1ozhA1 LEU 451 HG 0.06 0.00 0.02 -0.04 1.64 1.68 1ozhA1 LEU 451 HD13 -0.11 0.00 -0.02 -0.04 0.93 0.76 1ozhA1 LEU 451 HD23 -0.26 -0.01 -0.05 -0.04 0.89 0.53 1ozhA1 GLN 452 H -0.08 0.35 -0.41 -0.55 8.47 7.79 1ozhA1 GLN 452 HA -0.08 0.12 0.64 -0.75 4.36 4.29 1ozhA1 GLN 452 HB2 -0.06 0.03 0.04 -0.04 2.15 2.11 1ozhA1 GLN 452 HB3 -0.07 -0.00 0.04 -0.04 2.02 1.95 1ozhA1 GLN 452 HG2 -0.02 -0.00 -0.05 -0.04 2.40 2.28 1ozhA1 GLN 452 HG3 0.00 0.02 -0.04 -0.04 2.39 2.33 1ozhA1 GLN 452 HE21 -0.05 0.02 -0.02 -0.04 6.97 6.88 1ozhA1 GLN 452 HE22 -0.00 -0.01 -0.04 -0.04 7.69 7.60 1ozhA1 SER 453 H -0.19 0.32 -0.09 -0.55 8.46 7.96 1ozhA1 SER 453 HA -0.10 0.18 0.90 -0.75 4.49 4.72 1ozhA1 SER 453 HB2 -0.06 -0.08 0.17 -0.04 3.95 3.95 1ozhA1 SER 453 HB3 -0.06 0.04 -0.06 -0.04 3.93 3.81 1ozhA1 SER 454 H -0.35 0.30 0.05 -0.55 8.46 7.91 1ozhA1 SER 454 HA -0.42 0.06 0.33 -0.75 4.49 3.71 1ozhA1 SER 454 HB2 -0.63 -0.01 0.02 -0.04 3.95 3.29 1ozhA1 SER 454 HB3 -1.70 0.13 -0.03 -0.04 3.93 2.28 1ozhA1 MET 455 H -0.06 0.13 -0.55 -0.55 8.47 7.44 1ozhA1 MET 455 HA 0.19 0.13 0.41 -0.75 4.52 4.49 1ozhA1 MET 455 HB2 0.10 0.05 0.05 -0.04 2.15 2.31 1ozhA1 MET 455 HB3 0.08 0.05 0.01 -0.04 2.03 2.13 1ozhA1 MET 455 HG2 0.06 -0.05 -0.24 -0.04 2.63 2.36 1ozhA1 MET 455 HG3 0.11 0.06 -0.22 -0.04 2.56 2.46 1ozhA1 MET 455 HE3 -0.00 0.05 -0.03 -0.04 2.10 2.07 1ozhA1 GLU 456 H -0.06 0.51 -0.31 -0.55 8.60 8.19 1ozhA1 GLU 456 HA 0.03 0.00 0.47 -0.75 4.29 4.04 1ozhA1 GLU 456 HB2 -0.05 0.13 0.01 -0.04 2.09 2.14 1ozhA1 GLU 456 HB3 0.01 0.04 0.09 -0.04 1.99 2.08 1ozhA1 GLU 456 HG2 0.01 0.08 0.10 -0.04 2.34 2.48 1ozhA1 GLU 456 HG3 0.04 0.04 0.04 -0.04 2.34 2.42 1ozhA1 LEU 457 H -0.27 0.54 -0.57 -0.55 8.37 7.52 1ozhA1 LEU 457 HA -0.19 0.06 0.40 -0.75 4.35 3.86 1ozhA1 LEU 457 HB2 -1.53 0.12 0.09 -0.04 1.64 0.27 1ozhA1 LEU 457 HB3 -0.79 0.04 -0.04 -0.04 1.64 0.81 1ozhA1 LEU 457 HG -0.30 -0.07 0.03 -0.04 1.64 1.26 1ozhA1 LEU 457 HD13 -0.24 -0.01 -0.06 -0.04 0.93 0.59 1ozhA1 LEU 457 HD23 -0.09 0.00 -0.06 -0.04 0.89 0.70 1ozhA1 GLU 458 H 0.06 0.32 -0.20 -0.55 8.60 8.24 1ozhA1 GLU 458 HA 0.23 0.17 0.46 -0.75 4.29 4.40 1ozhA1 GLU 458 HB2 0.38 -0.01 0.13 -0.04 2.09 2.55 1ozhA1 GLU 458 HB3 0.16 -0.00 0.11 -0.04 1.99 2.21 1ozhA1 GLU 458 HG2 0.11 0.08 0.08 -0.04 2.34 2.57 1ozhA1 GLU 458 HG3 0.08 -0.03 0.02 -0.04 2.34 2.37 1ozhA1 THR 459 H 0.06 0.02 -0.25 -0.55 8.28 7.56 1ozhA1 THR 459 HA 0.08 0.12 0.39 -0.75 4.39 4.22 1ozhA1 THR 459 HB 0.06 0.12 0.14 -0.04 4.32 4.60 1ozhA1 THR 459 HG23 0.14 0.04 -0.07 -0.04 1.22 1.28 1ozhA1 ALA 460 H -0.01 0.45 -0.18 -0.55 8.40 8.12 1ozhA1 ALA 460 HA -0.04 0.02 0.38 -0.75 4.34 3.94 1ozhA1 ALA 460 HB3 -0.07 0.03 0.08 -0.04 1.41 1.40 1ozhA1 VAL 461 H -0.00 0.52 -0.13 -0.55 8.24 8.07 1ozhA1 VAL 461 HA -0.02 0.06 0.45 -0.75 4.13 3.86 1ozhA1 VAL 461 HB 0.07 0.03 0.20 -0.04 2.12 2.38 1ozhA1 VAL 461 HG13 0.04 0.04 -0.10 -0.04 0.97 0.91 1ozhA1 VAL 461 HG23 0.05 0.05 -0.17 -0.04 0.95 0.84 1ozhA1 ARG 462 H 0.04 0.58 -0.09 -0.55 8.46 8.45 1ozhA1 ARG 462 HA 0.04 0.00 0.43 -0.75 4.34 4.05 1ozhA1 ARG 462 HB2 0.05 -0.07 0.12 -0.04 1.90 1.97 1ozhA1 ARG 462 HB3 0.06 0.07 0.21 -0.04 1.80 2.11 1ozhA1 ARG 462 HG2 0.07 0.04 -0.13 -0.04 1.67 1.61 1ozhA1 ARG 462 HG3 0.06 -0.02 0.04 -0.04 1.67 1.71 1ozhA1 ARG 462 HD2 0.06 -0.02 0.01 -0.04 3.22 3.23 1ozhA1 ARG 462 HD3 0.05 -0.06 0.02 -0.04 3.22 3.19 1ozhA1 LEU 463 H 0.04 0.47 -0.19 -0.55 8.37 8.14 1ozhA1 LEU 463 HA 0.12 0.08 0.59 -0.75 4.35 4.39 1ozhA1 LEU 463 HB2 0.05 -0.05 0.07 -0.04 1.64 1.67 1ozhA1 LEU 463 HB3 0.30 -0.01 0.04 -0.04 1.64 1.93 1ozhA1 LEU 463 HG 0.13 0.07 0.01 -0.04 1.64 1.82 1ozhA1 LEU 463 HD13 0.27 -0.04 -0.11 -0.04 0.93 1.01 1ozhA1 LEU 463 HD23 0.18 -0.00 -0.03 -0.04 0.89 1.00 1ozhA1 LYS 464 H -0.04 0.28 -0.41 -0.55 8.42 7.69 1ozhA1 LYS 464 HA -0.09 0.00 0.39 -0.75 4.32 3.87 1ozhA1 LYS 464 HB2 0.06 0.17 0.10 -0.04 1.87 2.16 1ozhA1 LYS 464 HB3 -0.01 -0.05 0.21 -0.04 1.79 1.90 1ozhA1 LYS 464 HG2 0.01 -0.01 0.06 -0.04 1.46 1.48 1ozhA1 LYS 464 HG3 0.03 0.09 -0.29 -0.04 1.46 1.26 1ozhA1 LYS 464 HD2 0.08 0.01 -0.04 -0.04 1.69 1.69 1ozhA1 LYS 464 HD3 0.05 -0.05 0.03 -0.04 1.68 1.67 1ozhA1 LYS 464 HE2 0.03 -0.04 0.02 -0.04 2.99 2.97 1ozhA1 LYS 464 HE3 0.05 0.07 0.01 -0.04 2.99 3.07 1ozhA1 ALA 465 H -0.36 0.35 -0.07 -0.55 8.40 7.78 1ozhA1 ALA 465 HA -3.02 0.13 0.34 -0.75 4.34 1.04 1ozhA1 ALA 465 HB3 -0.50 -0.04 0.00 -0.04 1.41 0.83 1ozhA1 ASN 466 H -2.36 0.24 0.10 -0.55 8.53 5.96 1ozhA1 ASN 466 HA -0.26 0.09 0.48 -0.75 4.76 4.32 1ozhA1 ASN 466 HB2 0.08 0.10 0.14 -0.04 2.88 3.16 1ozhA1 ASN 466 HB3 0.12 0.07 0.30 -0.04 2.79 3.24 1ozhA1 ASN 466 HD21 0.08 0.00 -0.02 -0.04 7.03 7.06 1ozhA1 ASN 466 HD22 0.19 0.09 -0.10 -0.04 7.74 7.88 1ozhA1 VAL 467 H -0.23 0.43 -0.25 -0.55 8.24 7.64 1ozhA1 VAL 467 HA -0.02 0.36 1.06 -0.75 4.13 4.78 1ozhA1 VAL 467 HB -0.09 -0.05 -0.08 -0.04 2.12 1.87 1ozhA1 VAL 467 HG13 0.07 -0.04 -0.34 -0.04 0.97 0.61 1ozhA1 VAL 467 HG23 -0.06 -0.02 -0.39 -0.04 0.95 0.44 1ozhA1 LEU 468 H 0.02 0.68 0.41 -0.55 8.37 8.94 1ozhA1 LEU 468 HA 0.03 0.21 0.99 -0.75 4.35 4.82 1ozhA1 LEU 468 HB2 -0.00 0.19 -0.05 -0.04 1.64 1.74 1ozhA1 LEU 468 HB3 0.01 -0.01 0.20 -0.04 1.64 1.80 1ozhA1 LEU 468 HG -0.03 -0.13 -0.36 -0.04 1.64 1.08 1ozhA1 LEU 468 HD13 -0.03 0.03 -0.22 -0.04 0.93 0.67 1ozhA1 LEU 468 HD23 -0.05 -0.00 -0.14 -0.04 0.89 0.66 1ozhA1 HIS 469 H 0.11 0.78 0.37 -0.55 8.41 9.12 1ozhA1 HIS 469 HA -0.01 0.29 1.12 -0.75 4.63 5.28 1ozhA1 HIS 469 HB2 0.02 0.02 -0.03 -0.04 3.26 3.24 1ozhA1 HIS 469 HB3 -0.00 -0.03 0.14 -0.04 3.20 3.27 1ozhA1 HIS 469 HD2 -0.30 -0.07 -0.36 -0.04 6.97 6.19 1ozhA1 HIS 469 HE1 -0.00 -0.19 -0.31 -0.04 7.75 7.21 1ozhA1 LEU 470 H -0.48 0.85 0.49 -0.55 8.37 8.69 1ozhA1 LEU 470 HA -0.15 0.21 1.01 -0.75 4.35 4.67 1ozhA1 LEU 470 HB2 -0.08 -0.10 0.15 -0.04 1.64 1.57 1ozhA1 LEU 470 HB3 -0.02 -0.04 -0.03 -0.04 1.64 1.52 1ozhA1 LEU 470 HG -0.06 0.13 -0.14 -0.04 1.64 1.52 1ozhA1 LEU 470 HD13 0.04 -0.00 -0.11 -0.04 0.93 0.82 1ozhA1 LEU 470 HD23 -0.07 0.01 -0.20 -0.04 0.89 0.60 1ozhA1 ILE 471 H -0.18 0.76 0.34 -0.55 8.25 8.61 1ozhA1 ILE 471 HA -0.23 0.28 1.06 -0.75 4.18 4.53 1ozhA1 ILE 471 HB -0.47 -0.09 0.14 -0.04 1.89 1.42 1ozhA1 ILE 471 HG12 -0.56 0.00 -0.27 -0.04 1.49 0.62 1ozhA1 ILE 471 HG13 -0.40 0.12 -0.29 -0.04 1.21 0.60 1ozhA1 ILE 471 HG23 -0.60 -0.02 -0.41 -0.04 0.93 -0.15 1ozhA1 ILE 471 HD13 -1.59 -0.01 -0.14 -0.04 0.88 -0.91 1ozhA1 TRP 472 H 0.07 0.62 0.33 -0.55 7.97 8.44 1ozhA1 TRP 472 HA -0.18 0.31 0.73 -0.75 4.62 4.72 1ozhA1 TRP 472 HB2 -0.09 -0.15 0.19 -0.04 3.23 3.14 1ozhA1 TRP 472 HB3 -0.09 -0.03 0.01 -0.04 3.23 3.07 1ozhA1 TRP 472 HD1 -0.24 -0.02 -0.25 -0.04 7.22 6.67 1ozhA1 TRP 472 HE1 -0.06 0.12 -0.15 -0.04 10.20 10.07 1ozhA1 TRP 472 HE3 0.02 -0.09 -0.09 -0.04 7.59 7.39 1ozhA1 TRP 472 HZ2 0.07 0.12 -0.16 -0.04 7.44 7.43 1ozhA1 TRP 472 HZ3 -0.30 -0.04 -0.05 -0.04 7.13 6.70 1ozhA1 TRP 472 HH2 -0.06 0.09 -0.04 -0.04 7.19 7.14 1ozhA1 VAL 473 H -0.08 0.73 0.17 -0.55 8.24 8.51 1ozhA1 VAL 473 HA 0.06 -0.07 0.90 -0.75 4.13 4.27 1ozhA1 VAL 473 HB 0.00 0.03 0.01 -0.04 2.12 2.12 1ozhA1 VAL 473 HG13 0.22 0.00 -0.06 -0.04 0.97 1.09 1ozhA1 VAL 473 HG23 -0.07 0.04 -0.11 -0.04 0.95 0.77 1ozhA1 ASP 474 H 0.10 -0.16 0.37 -0.55 8.40 8.16 1ozhA1 ASP 474 HA -0.06 0.30 0.89 -0.75 4.63 5.02 1ozhA1 ASP 474 HB2 0.10 0.07 0.13 -0.04 2.71 2.97 1ozhA1 ASP 474 HB3 0.01 0.01 -0.12 -0.04 2.70 2.56 1ozhA1 ASN 475 H 0.09 -0.18 0.26 -0.55 8.53 8.15 1ozhA1 ASN 475 HA 0.08 0.03 0.32 -0.75 4.76 4.44 1ozhA1 ASN 475 HB2 -0.10 0.23 0.11 -0.04 2.88 3.08 1ozhA1 ASN 475 HB3 -0.09 0.26 0.15 -0.04 2.79 3.06 1ozhA1 ASN 475 HD21 0.01 -0.02 -0.07 -0.04 7.03 6.91 1ozhA1 ASN 475 HD22 -0.02 0.10 -0.11 -0.04 7.74 7.66 1ozhA1 GLY 476 H -0.33 -0.00 0.08 -0.55 8.43 7.62 1ozhA1 GLY 476 HA2 -1.47 0.12 0.46 -0.51 4.01 2.60 1ozhA1 GLY 476 HA3 -0.43 0.18 0.43 -0.51 4.01 3.68 1ozhA1 TYR 477 H -0.10 0.81 0.23 -0.55 8.29 8.69 1ozhA1 TYR 477 HA 0.14 0.00 0.81 -0.75 4.56 4.76 1ozhA1 TYR 477 HB2 0.06 0.09 0.34 -0.04 3.06 3.51 1ozhA1 TYR 477 HB3 0.07 -0.04 0.22 -0.04 2.98 3.18 1ozhA1 TYR 477 HD2 0.18 0.03 0.11 -0.04 7.15 7.43 1ozhA1 TYR 477 HE2 0.14 0.02 -0.02 -0.04 6.85 6.95 1ozhA1 ASN 478 H 0.16 0.25 -0.13 -0.55 8.53 8.26 1ozhA1 ASN 478 HA 0.03 0.14 0.35 -0.75 4.76 4.54 1ozhA1 ASN 478 HB2 0.19 0.07 0.07 -0.04 2.88 3.17 1ozhA1 ASN 478 HB3 -0.09 -0.16 0.14 -0.04 2.79 2.64 1ozhA1 ASN 478 HD21 0.06 0.11 -0.02 -0.04 7.03 7.13 1ozhA1 ASN 478 HD22 0.13 0.03 -0.01 -0.04 7.74 7.85 1ozhA1 MET 479 H 0.00 -0.02 0.01 -0.55 8.47 7.91 1ozhA1 MET 479 HA -0.11 0.12 0.35 -0.75 4.52 4.12 1ozhA1 MET 479 HB2 -0.14 -0.30 0.09 -0.04 2.15 1.75 1ozhA1 MET 479 HB3 -0.07 0.05 0.04 -0.04 2.03 2.01 1ozhA1 MET 479 HG2 -0.12 0.13 -0.19 -0.04 2.63 2.42 1ozhA1 MET 479 HG3 -0.15 0.05 0.01 -0.04 2.56 2.43 1ozhA1 MET 479 HE3 -0.26 0.02 -0.10 -0.04 2.10 1.72 1ozhA1 VAL 480 H 0.03 0.09 -0.36 -0.55 8.24 7.45 1ozhA1 VAL 480 HA -0.03 0.18 0.58 -0.75 4.13 4.10 1ozhA1 VAL 480 HB 0.07 0.06 0.15 -0.04 2.12 2.36 1ozhA1 VAL 480 HG13 0.02 0.03 -0.06 -0.04 0.97 0.91 1ozhA1 VAL 480 HG23 -0.05 -0.01 0.01 -0.04 0.95 0.86 1ozhA1 ALA 481 H 0.04 0.37 0.06 -0.55 8.40 8.33 1ozhA1 ALA 481 HA 0.03 0.02 0.40 -0.75 4.34 4.04 1ozhA1 ALA 481 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 1ozhA1 ILE 482 H -0.03 0.55 -0.11 -0.55 8.25 8.12 1ozhA1 ILE 482 HA -0.02 0.03 0.35 -0.75 4.18 3.78 1ozhA1 ILE 482 HB -0.05 0.04 -0.01 -0.04 1.89 1.83 1ozhA1 ILE 482 HG12 -0.07 0.05 0.05 -0.04 1.49 1.48 1ozhA1 ILE 482 HG13 -0.08 0.12 -0.16 -0.04 1.21 1.06 1ozhA1 ILE 482 HG23 -0.05 0.01 -0.02 -0.04 0.93 0.83 1ozhA1 ILE 482 HD13 -0.11 -0.03 -0.04 -0.04 0.88 0.65 1ozhA1 GLN 483 H -0.05 0.26 -0.42 -0.55 8.47 7.70 1ozhA1 GLN 483 HA -0.10 0.11 0.56 -0.75 4.36 4.18 1ozhA1 GLN 483 HB2 -0.07 0.08 0.16 -0.04 2.15 2.29 1ozhA1 GLN 483 HB3 -0.09 0.03 0.03 -0.04 2.02 1.95 1ozhA1 GLN 483 HG2 -0.09 -0.00 -0.00 -0.04 2.40 2.27 1ozhA1 GLN 483 HG3 -0.08 0.12 0.10 -0.04 2.39 2.49 1ozhA1 GLN 483 HE21 -0.09 -0.03 -0.03 -0.04 6.97 6.78 1ozhA1 GLN 483 HE22 -0.09 0.14 -0.01 -0.04 7.69 7.69 1ozhA1 GLU 484 H -0.04 0.45 -0.01 -0.55 8.60 8.45 1ozhA1 GLU 484 HA -0.21 0.06 0.42 -0.75 4.29 3.81 1ozhA1 GLU 484 HB2 0.03 0.02 0.19 -0.04 2.09 2.30 1ozhA1 GLU 484 HB3 0.15 0.12 0.11 -0.04 1.99 2.33 1ozhA1 GLU 484 HG2 0.11 0.01 0.05 -0.04 2.34 2.47 1ozhA1 GLU 484 HG3 0.03 0.25 0.02 -0.04 2.34 2.61 1ozhA1 GLU 485 H -0.04 0.54 -0.14 -0.55 8.60 8.42 1ozhA1 GLU 485 HA -0.00 -0.11 0.34 -0.75 4.29 3.76 1ozhA1 GLU 485 HB2 -0.00 -0.01 0.01 -0.04 2.09 2.04 1ozhA1 GLU 485 HB3 -0.03 0.09 0.11 -0.04 1.99 2.12 1ozhA1 GLU 485 HG2 0.00 -0.04 -0.07 -0.04 2.34 2.19 1ozhA1 GLU 485 HG3 -0.01 0.08 -0.25 -0.04 2.34 2.12 1ozhA1 LYS 486 H -0.08 0.45 -0.13 -0.55 8.42 8.11 1ozhA1 LYS 486 HA -0.05 -0.01 0.34 -0.75 4.32 3.84 1ozhA1 LYS 486 HB2 -0.07 0.04 0.17 -0.04 1.87 1.97 1ozhA1 LYS 486 HB3 -0.11 0.08 0.07 -0.04 1.79 1.80 1ozhA1 LYS 486 HG2 -0.06 -0.00 -0.02 -0.04 1.46 1.34 1ozhA1 LYS 486 HG3 -0.06 0.04 0.01 -0.04 1.46 1.41 1ozhA1 LYS 486 HD2 -0.03 -0.03 0.06 -0.04 1.69 1.65 1ozhA1 LYS 486 HD3 -0.03 -0.06 0.02 -0.04 1.68 1.56 1ozhA1 LYS 486 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.94 1ozhA1 LYS 486 HE3 -0.02 0.03 0.02 -0.04 2.99 2.98 1ozhA1 LYS 487 H -0.28 0.25 -0.57 -0.55 8.42 7.26 1ozhA1 LYS 487 HA -0.17 0.18 0.91 -0.75 4.32 4.49 1ozhA1 LYS 487 HB2 -1.13 0.02 0.13 -0.04 1.87 0.84 1ozhA1 LYS 487 HB3 -0.58 -0.06 0.03 -0.04 1.79 1.13 1ozhA1 LYS 487 HG2 -0.17 0.02 -0.07 -0.04 1.46 1.19 1ozhA1 LYS 487 HG3 -0.25 0.11 -0.01 -0.04 1.46 1.27 1ozhA1 LYS 487 HD2 -0.14 -0.03 -0.01 -0.04 1.69 1.47 1ozhA1 LYS 487 HD3 -0.12 -0.00 -0.03 -0.04 1.68 1.49 1ozhA1 LYS 487 HE2 -0.23 -0.00 -0.15 -0.04 2.99 2.57 1ozhA1 LYS 487 HE3 -0.58 -0.01 -0.05 -0.04 2.99 2.31 1ozhA1 TYR 488 H -0.27 0.84 0.29 -0.55 8.29 8.60 1ozhA1 TYR 488 HA 0.00 0.20 0.97 -0.75 4.56 4.98 1ozhA1 TYR 488 HB2 0.00 0.02 0.04 -0.04 3.06 3.07 1ozhA1 TYR 488 HB3 0.00 -0.06 0.10 -0.04 2.98 2.99 1ozhA1 TYR 488 HD2 -0.00 0.09 -0.12 -0.04 7.15 7.07 1ozhA1 TYR 488 HE2 -0.00 -0.02 -0.04 -0.04 6.85 6.75 1ozhA1 GLN 489 H 0.00 0.65 0.23 -0.55 8.47 8.81 1ozhA1 GLN 489 HA 0.02 0.01 0.37 -0.75 4.36 4.01 1ozhA1 GLN 489 HB2 0.05 0.18 -0.05 -0.04 2.15 2.29 1ozhA1 GLN 489 HB3 0.03 -0.10 0.21 -0.04 2.02 2.11 1ozhA1 GLN 489 HG2 0.02 -0.07 -0.05 -0.04 2.40 2.26 1ozhA1 GLN 489 HG3 0.01 0.04 -0.03 -0.04 2.39 2.37 1ozhA1 GLN 489 HE21 0.01 0.17 -0.37 -0.04 6.97 6.73 1ozhA1 GLN 489 HE22 -0.01 0.10 -0.23 -0.04 7.69 7.51 1ozhA1 ARG 490 H 0.09 0.22 -0.34 -0.55 8.46 7.88 1ozhA1 ARG 490 HA 0.04 0.01 0.41 -0.75 4.34 4.05 1ozhA1 ARG 490 HB2 0.04 -0.06 0.06 -0.04 1.90 1.91 1ozhA1 ARG 490 HB3 0.05 0.18 -0.03 -0.04 1.80 1.95 1ozhA1 ARG 490 HG2 0.11 0.27 -0.26 -0.04 1.67 1.75 1ozhA1 ARG 490 HG3 0.09 -0.08 -0.27 -0.04 1.67 1.37 1ozhA1 ARG 490 HD2 0.02 -0.05 -0.06 -0.04 3.22 3.09 1ozhA1 ARG 490 HD3 0.03 0.03 -0.05 -0.04 3.22 3.18 1ozhA1 LEU 491 H 0.04 0.14 0.11 -0.55 8.37 8.11 1ozhA1 LEU 491 HA 0.06 0.19 0.82 -0.75 4.35 4.67 1ozhA1 LEU 491 HB2 0.03 0.02 0.02 -0.04 1.64 1.67 1ozhA1 LEU 491 HB3 0.04 -0.12 0.02 -0.04 1.64 1.54 1ozhA1 LEU 491 HG 0.03 0.03 -0.06 -0.04 1.64 1.59 1ozhA1 LEU 491 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.84 1ozhA1 LEU 491 HD23 0.03 0.00 -0.16 -0.04 0.89 0.72 1ozhA1 SER 492 H 0.07 0.19 0.08 -0.55 8.46 8.25 1ozhA1 SER 492 HA 0.04 0.06 0.59 -0.75 4.49 4.42 1ozhA1 SER 492 HB2 0.03 0.01 0.01 -0.04 3.95 3.97 1ozhA1 SER 492 HB3 0.03 0.17 -0.08 -0.04 3.93 4.01 1ozhA1 GLY 493 H 0.06 0.19 0.13 -0.55 8.43 8.25 1ozhA1 GLY 493 HA2 0.09 0.06 0.35 -0.51 4.01 4.01 1ozhA1 GLY 493 HA3 0.10 0.14 0.40 -0.51 4.01 4.13 1ozhA1 VAL 494 H 0.07 0.02 -0.19 -0.55 8.24 7.60 1ozhA1 VAL 494 HA 0.31 0.28 1.07 -0.75 4.13 5.04 1ozhA1 VAL 494 HB 0.09 -0.10 0.15 -0.04 2.12 2.22 1ozhA1 VAL 494 HG13 0.12 0.07 -0.15 -0.04 0.97 0.98 1ozhA1 VAL 494 HG23 0.04 -0.01 -0.11 -0.04 0.95 0.82 1ozhA1 GLU 495 H 0.02 0.11 0.03 -0.55 8.60 8.21 1ozhA1 GLU 495 HA -0.32 0.19 1.16 -0.75 4.29 4.57 1ozhA1 GLU 495 HB2 -0.03 -0.01 0.07 -0.04 2.09 2.08 1ozhA1 GLU 495 HB3 -0.10 0.16 0.08 -0.04 1.99 2.09 1ozhA1 GLU 495 HG2 -0.07 0.06 -0.12 -0.04 2.34 2.18 1ozhA1 GLU 495 HG3 -0.02 -0.25 -0.19 -0.04 2.34 1.84 1ozhA1 PHE 496 H -0.61 0.62 0.28 -0.55 8.34 8.08 1ozhA1 PHE 496 HA -0.03 0.17 0.73 -0.75 4.62 4.73 1ozhA1 PHE 496 HB2 -0.06 -0.06 0.12 -0.04 3.15 3.12 1ozhA1 PHE 496 HB3 -0.10 0.05 -0.12 -0.04 3.06 2.86 1ozhA1 PHE 496 HD2 -0.30 0.25 -0.30 -0.04 7.28 6.88 1ozhA1 PHE 496 HE2 -0.58 -0.07 -0.18 -0.04 7.38 6.51 1ozhA1 PHE 496 HZ -0.06 -0.21 -0.14 -0.04 7.32 6.88 1ozhA1 GLY 497 H 0.20 0.08 0.12 -0.55 8.43 8.29 1ozhA1 GLY 497 HA2 0.07 0.14 0.55 -0.51 4.01 4.26 1ozhA1 GLY 497 HA3 0.07 0.06 0.36 -0.51 4.01 3.99 1ozhA1 PRO 498 HA 0.05 0.02 0.63 -0.51 4.44 4.63 1ozhA1 PRO 498 HB2 -0.02 0.02 0.02 -0.04 2.28 2.27 1ozhA1 PRO 498 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 1ozhA1 PRO 498 HG2 -0.01 0.03 0.01 -0.04 2.03 2.02 1ozhA1 PRO 498 HG3 0.00 0.07 0.05 -0.04 2.03 2.11 1ozhA1 PRO 498 HD2 0.02 0.09 0.24 -0.04 3.68 3.99 1ozhA1 PRO 498 HD3 0.02 0.18 0.19 -0.04 3.65 4.00 1ozhA1 MET 499 H -0.18 0.21 0.21 -0.55 8.47 8.16 1ozhA1 MET 499 HA -0.19 0.20 0.68 -0.75 4.52 4.46 1ozhA1 MET 499 HB2 -1.10 -0.08 -0.06 -0.04 2.15 0.87 1ozhA1 MET 499 HB3 -0.62 -0.00 -0.12 -0.04 2.03 1.25 1ozhA1 MET 499 HG2 -0.17 0.08 -0.04 -0.04 2.63 2.46 1ozhA1 MET 499 HG3 -0.17 0.07 -0.57 -0.04 2.56 1.85 1ozhA1 MET 499 HE3 -0.28 0.00 -0.09 -0.04 2.10 1.69 1ozhA1 ASP 500 H -0.14 0.27 0.05 -0.55 8.40 8.02 1ozhA1 ASP 500 HA -0.05 0.15 0.71 -0.75 4.63 4.68 1ozhA1 ASP 500 HB2 -0.02 0.10 0.08 -0.04 2.71 2.83 1ozhA1 ASP 500 HB3 -0.01 0.05 0.22 -0.04 2.70 2.92 1ozhA1 PHE 501 H -0.06 0.36 -0.01 -0.55 8.34 8.08 1ozhA1 PHE 501 HA 0.12 0.07 0.30 -0.75 4.62 4.36 1ozhA1 PHE 501 HB2 -0.02 0.01 0.08 -0.04 3.15 3.18 1ozhA1 PHE 501 HB3 -0.07 0.08 -0.04 -0.04 3.06 2.99 1ozhA1 PHE 501 HD2 -0.06 0.04 -0.01 -0.04 7.28 7.21 1ozhA1 PHE 501 HE2 0.04 -0.01 -0.02 -0.04 7.38 7.35 1ozhA1 PHE 501 HZ 0.05 -0.02 -0.01 -0.04 7.32 7.30 1ozhA1 LYS 502 H 0.14 0.06 -0.29 -0.55 8.42 7.77 1ozhA1 LYS 502 HA 0.11 0.14 0.37 -0.75 4.32 4.18 1ozhA1 LYS 502 HB2 0.07 -0.01 -0.19 -0.04 1.87 1.70 1ozhA1 LYS 502 HB3 0.05 -0.06 -0.02 -0.04 1.79 1.72 1ozhA1 LYS 502 HG2 -0.02 0.04 -0.30 -0.04 1.46 1.14 1ozhA1 LYS 502 HG3 -0.05 0.06 -0.49 -0.04 1.46 0.94 1ozhA1 LYS 502 HD2 0.01 -0.11 -0.07 -0.04 1.69 1.48 1ozhA1 LYS 502 HD3 -0.00 -0.02 -0.07 -0.04 1.68 1.55 1ozhA1 LYS 502 HE2 -0.15 0.23 0.05 -0.04 2.99 3.07 1ozhA1 LYS 502 HE3 -0.04 -0.01 0.02 -0.04 2.99 2.91 1ozhA1 ALA 503 H 0.08 0.06 -0.17 -0.55 8.40 7.82 1ozhA1 ALA 503 HA 0.04 0.12 0.39 -0.75 4.34 4.15 1ozhA1 ALA 503 HB3 0.04 0.03 0.06 -0.04 1.41 1.50 1ozhA1 TYR 504 H 0.25 0.33 -0.26 -0.55 8.29 8.06 1ozhA1 TYR 504 HA 0.13 0.05 0.33 -0.75 4.56 4.31 1ozhA1 TYR 504 HB2 0.12 -0.03 -0.03 -0.04 3.06 3.08 1ozhA1 TYR 504 HB3 0.31 0.08 0.10 -0.04 2.98 3.42 1ozhA1 TYR 504 HD2 0.32 0.02 -0.14 -0.04 7.15 7.30 1ozhA1 TYR 504 HE2 0.10 0.01 -0.10 -0.04 6.85 6.82 1ozhA1 ALA 505 H 0.36 0.49 -0.17 -0.55 8.40 8.53 1ozhA1 ALA 505 HA 0.28 -0.00 0.31 -0.75 4.34 4.17 1ozhA1 ALA 505 HB3 0.17 0.02 -0.02 -0.04 1.41 1.53 1ozhA1 GLU 506 H 0.10 0.35 -0.26 -0.55 8.60 8.25 1ozhA1 GLU 506 HA 0.04 0.39 0.50 -0.75 4.29 4.47 1ozhA1 GLU 506 HB2 0.02 -0.00 0.10 -0.04 2.09 2.16 1ozhA1 GLU 506 HB3 -0.01 -0.01 0.08 -0.04 1.99 2.01 1ozhA1 GLU 506 HG2 -0.05 0.00 0.12 -0.04 2.34 2.37 1ozhA1 GLU 506 HG3 0.00 0.30 0.14 -0.04 2.34 2.74 1ozhA1 SER 507 H 0.03 0.44 -0.30 -0.55 8.46 8.09 1ozhA1 SER 507 HA -0.07 0.03 0.40 -0.75 4.49 4.10 1ozhA1 SER 507 HB2 -0.19 -0.07 0.10 -0.04 3.95 3.74 1ozhA1 SER 507 HB3 -0.09 -0.00 0.12 -0.04 3.93 3.91 1ozhA1 PHE 508 H 0.21 0.31 -0.54 -0.55 8.34 7.77 1ozhA1 PHE 508 HA -0.06 0.07 0.60 -0.75 4.62 4.47 1ozhA1 PHE 508 HB2 -0.03 0.19 0.05 -0.04 3.15 3.32 1ozhA1 PHE 508 HB3 -0.03 0.00 -0.09 -0.04 3.06 2.90 1ozhA1 PHE 508 HD2 -0.12 0.12 -0.02 -0.04 7.28 7.21 1ozhA1 PHE 508 HE2 -0.64 -0.05 -0.04 -0.04 7.38 6.61 1ozhA1 PHE 508 HZ -0.16 -0.09 -0.11 -0.04 7.32 6.91 1ozhA1 GLY 509 H 0.08 0.40 -0.24 -0.55 8.43 8.11 1ozhA1 GLY 509 HA2 0.02 0.02 0.32 -0.51 4.01 3.86 1ozhA1 GLY 509 HA3 0.04 0.11 0.70 -0.51 4.01 4.35 1ozhA1 ALA 510 H 0.11 0.10 -0.06 -0.55 8.40 8.01 1ozhA1 ALA 510 HA 0.03 0.24 0.68 -0.75 4.34 4.53 1ozhA1 ALA 510 HB3 0.04 0.00 -0.11 -0.04 1.41 1.30 1ozhA1 LYS 511 H 0.04 0.67 0.26 -0.55 8.42 8.84 1ozhA1 LYS 511 HA -0.07 0.06 0.65 -0.75 4.32 4.20 1ozhA1 LYS 511 HB2 0.17 0.03 0.17 -0.04 1.87 2.20 1ozhA1 LYS 511 HB3 -0.03 -0.05 0.02 -0.04 1.79 1.69 1ozhA1 LYS 511 HG2 0.04 0.15 -0.00 -0.04 1.46 1.61 1ozhA1 LYS 511 HG3 0.08 -0.00 -0.04 -0.04 1.46 1.46 1ozhA1 LYS 511 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.60 1ozhA1 LYS 511 HD3 -0.05 -0.07 -0.02 -0.04 1.68 1.50 1ozhA1 LYS 511 HE2 -0.01 -0.05 -0.98 -0.04 2.99 1.91 1ozhA1 LYS 511 HE3 0.01 0.15 -0.21 -0.04 2.99 2.90 1ozhA1 GLY 512 H -0.23 0.18 0.20 -0.55 8.43 8.04 1ozhA1 GLY 512 HA2 0.06 0.24 1.16 -0.51 4.01 4.96 1ozhA1 GLY 512 HA3 -0.03 0.02 0.38 -0.51 4.01 3.87 1ozhA1 PHE 513 H 0.20 0.70 0.47 -0.55 8.34 9.16 1ozhA1 PHE 513 HA 0.01 0.16 0.89 -0.75 4.62 4.93 1ozhA1 PHE 513 HB2 -0.01 -0.05 0.04 -0.04 3.15 3.09 1ozhA1 PHE 513 HB3 -0.01 -0.04 0.02 -0.04 3.06 2.98 1ozhA1 PHE 513 HD2 -0.00 0.01 -0.16 -0.04 7.28 7.08 1ozhA1 PHE 513 HE2 -0.00 0.03 -0.14 -0.04 7.38 7.23 1ozhA1 PHE 513 HZ 0.00 0.08 -0.19 -0.04 7.32 7.17 1ozhA1 ALA 514 H 0.13 0.31 0.14 -0.55 8.40 8.44 1ozhA1 ALA 514 HA 0.09 0.11 0.95 -0.75 4.34 4.73 1ozhA1 ALA 514 HB3 0.07 -0.01 0.03 -0.04 1.41 1.45 1ozhA1 VAL 515 H 0.04 0.64 0.27 -0.55 8.24 8.64 1ozhA1 VAL 515 HA -0.01 0.06 0.63 -0.75 4.13 4.05 1ozhA1 VAL 515 HB 0.01 -0.00 0.29 -0.04 2.12 2.38 1ozhA1 VAL 515 HG13 -0.04 -0.04 -0.13 -0.04 0.97 0.72 1ozhA1 VAL 515 HG23 -0.04 0.03 -0.05 -0.04 0.95 0.85 1ozhA1 GLU 516 H -0.11 0.18 0.24 -0.55 8.60 8.36 1ozhA1 GLU 516 HA -0.20 0.19 0.88 -0.75 4.29 4.41 1ozhA1 GLU 516 HB2 -0.15 0.02 0.09 -0.04 2.09 2.00 1ozhA1 GLU 516 HB3 -0.18 0.00 0.15 -0.04 1.99 1.93 1ozhA1 GLU 516 HG2 0.01 -0.02 -0.22 -0.04 2.34 2.08 1ozhA1 GLU 516 HG3 -0.02 0.18 -0.06 -0.04 2.34 2.40 1ozhA1 SER 517 H -0.31 0.20 0.03 -0.55 8.46 7.83 1ozhA1 SER 517 HA -0.83 0.17 0.51 -0.75 4.49 3.59 1ozhA1 SER 517 HB2 -0.22 0.02 0.13 -0.04 3.95 3.83 1ozhA1 SER 517 HB3 -0.33 0.20 -0.14 -0.04 3.93 3.62 1ozhA1 ALA 518 H -0.08 0.31 0.10 -0.55 8.40 8.19 1ozhA1 ALA 518 HA -0.03 0.04 0.44 -0.75 4.34 4.04 1ozhA1 ALA 518 HB3 -0.02 0.13 0.10 -0.04 1.41 1.58 1ozhA1 GLU 519 H -0.09 0.06 -0.18 -0.55 8.60 7.85 1ozhA1 GLU 519 HA -0.06 0.16 0.39 -0.75 4.29 4.03 1ozhA1 GLU 519 HB2 -0.07 -0.05 0.01 -0.04 2.09 1.94 1ozhA1 GLU 519 HB3 -0.05 0.07 0.04 -0.04 1.99 2.01 1ozhA1 GLU 519 HG2 -0.04 0.05 0.03 -0.04 2.34 2.33 1ozhA1 GLU 519 HG3 -0.05 0.05 0.02 -0.04 2.34 2.32 1ozhA1 ALA 520 H -0.10 0.17 -0.41 -0.55 8.40 7.51 1ozhA1 ALA 520 HA -0.06 0.18 0.59 -0.75 4.34 4.30 1ozhA1 ALA 520 HB3 -0.07 -0.01 0.10 -0.04 1.41 1.38 1ozhA1 LEU 521 H -0.08 0.38 -0.31 -0.55 8.37 7.81 1ozhA1 LEU 521 HA -0.08 -0.03 0.35 -0.75 4.35 3.83 1ozhA1 LEU 521 HB2 -0.08 -0.03 0.16 -0.04 1.64 1.64 1ozhA1 LEU 521 HB3 -0.08 0.10 0.20 -0.04 1.64 1.82 1ozhA1 LEU 521 HG -0.10 0.05 -0.23 -0.04 1.64 1.32 1ozhA1 LEU 521 HD13 -0.13 -0.03 -0.04 -0.04 0.93 0.70 1ozhA1 LEU 521 HD23 -0.14 0.00 -0.07 -0.04 0.89 0.64 1ozhA1 GLU 522 H -0.07 0.21 0.00 -0.55 8.60 8.20 1ozhA1 GLU 522 HA -0.07 0.06 0.37 -0.75 4.29 3.90 1ozhA1 GLU 522 HB2 -0.05 0.05 0.08 -0.04 2.09 2.13 1ozhA1 GLU 522 HB3 -0.05 0.04 -0.02 -0.04 1.99 1.91 1ozhA1 GLU 522 HG2 -0.05 0.07 0.03 -0.04 2.34 2.34 1ozhA1 GLU 522 HG3 -0.06 0.01 0.06 -0.04 2.34 2.31 1ozhA1 PRO 523 HA -0.05 0.08 0.43 -0.51 4.44 4.39 1ozhA1 PRO 523 HB2 -0.04 0.03 0.03 -0.04 2.28 2.25 1ozhA1 PRO 523 HB3 -0.03 0.02 0.05 -0.04 2.02 2.02 1ozhA1 PRO 523 HG2 -0.04 0.11 0.08 -0.04 2.03 2.13 1ozhA1 PRO 523 HG3 -0.04 0.03 0.03 -0.04 2.03 2.01 1ozhA1 PRO 523 HD2 -0.06 0.01 -0.57 -0.04 3.68 3.02 1ozhA1 PRO 523 HD3 -0.05 0.05 0.03 -0.04 3.65 3.63 1ozhA1 THR 524 H -0.08 0.59 -0.17 -0.55 8.28 8.07 1ozhA1 THR 524 HA -0.16 0.01 0.42 -0.75 4.39 3.91 1ozhA1 THR 524 HB -0.11 0.11 0.15 -0.04 4.32 4.44 1ozhA1 THR 524 HG23 -0.14 -0.04 -0.17 -0.04 1.22 0.82 1ozhA1 LEU 525 H -0.13 0.67 -0.03 -0.55 8.37 8.33 1ozhA1 LEU 525 HA -0.19 -0.03 0.34 -0.75 4.35 3.71 1ozhA1 LEU 525 HB2 -0.09 0.10 0.09 -0.04 1.64 1.71 1ozhA1 LEU 525 HB3 -0.08 0.03 -0.07 -0.04 1.64 1.49 1ozhA1 LEU 525 HG -0.10 0.09 -0.04 -0.04 1.64 1.55 1ozhA1 LEU 525 HD13 -0.06 -0.01 -0.20 -0.04 0.93 0.62 1ozhA1 LEU 525 HD23 -0.10 -0.03 -0.11 -0.04 0.89 0.61 1ozhA1 ARG 526 H -0.10 0.58 -0.20 -0.55 8.46 8.18 1ozhA1 ARG 526 HA -0.06 0.07 0.38 -0.75 4.34 3.98 1ozhA1 ARG 526 HB2 -0.05 0.06 0.09 -0.04 1.90 1.96 1ozhA1 ARG 526 HB3 -0.06 0.04 0.10 -0.04 1.80 1.84 1ozhA1 ARG 526 HG2 -0.03 -0.05 -0.04 -0.04 1.67 1.51 1ozhA1 ARG 526 HG3 -0.03 -0.01 -0.13 -0.04 1.67 1.46 1ozhA1 ARG 526 HD2 -0.03 0.01 -0.02 -0.04 3.22 3.14 1ozhA1 ARG 526 HD3 -0.02 -0.01 -0.02 -0.04 3.22 3.12 1ozhA1 ALA 527 H -0.15 0.47 -0.21 -0.55 8.40 7.96 1ozhA1 ALA 527 HA -0.05 0.04 0.44 -0.75 4.34 4.02 1ozhA1 ALA 527 HB3 -0.10 0.00 0.09 -0.04 1.41 1.36 1ozhA1 ALA 528 H -0.44 0.58 -0.12 -0.55 8.40 7.88 1ozhA1 ALA 528 HA -0.22 0.00 0.35 -0.75 4.34 3.73 1ozhA1 ALA 528 HB3 -0.50 -0.02 -0.04 -0.04 1.41 0.81 1ozhA1 MET 529 H -0.12 0.50 -0.25 -0.55 8.47 8.05 1ozhA1 MET 529 HA -0.02 0.03 0.41 -0.75 4.52 4.18 1ozhA1 MET 529 HB2 -0.05 0.07 0.16 -0.04 2.15 2.29 1ozhA1 MET 529 HB3 -0.01 -0.01 -0.05 -0.04 2.03 1.92 1ozhA1 MET 529 HG2 -0.04 -0.07 -0.01 -0.04 2.63 2.47 1ozhA1 MET 529 HG3 -0.02 -0.06 -0.03 -0.04 2.56 2.41 1ozhA1 MET 529 HE3 0.02 0.00 0.01 -0.04 2.10 2.09 1ozhA1 ASP 530 H -0.04 0.29 -0.34 -0.55 8.40 7.77 1ozhA1 ASP 530 HA 0.01 0.06 0.46 -0.75 4.63 4.41 1ozhA1 ASP 530 HB2 -0.00 0.04 0.09 -0.04 2.71 2.80 1ozhA1 ASP 530 HB3 0.01 -0.11 0.07 -0.04 2.70 2.63 1ozhA1 VAL 531 H 0.01 0.21 -0.52 -0.55 8.24 7.39 1ozhA1 VAL 531 HA 0.05 -0.10 0.39 -0.75 4.13 3.71 1ozhA1 VAL 531 HB 0.06 0.27 0.04 -0.04 2.12 2.45 1ozhA1 VAL 531 HG13 0.06 -0.04 -0.32 -0.04 0.97 0.64 1ozhA1 VAL 531 HG23 0.17 0.02 0.01 -0.04 0.95 1.12 1ozhA1 ASP 532 H 0.03 0.03 0.09 -0.55 8.40 8.01 1ozhA1 ASP 532 HA 0.03 0.20 0.68 -0.75 4.63 4.78 1ozhA1 ASP 532 HB2 0.04 0.01 0.12 -0.04 2.71 2.83 1ozhA1 ASP 532 HB3 0.03 -0.09 0.25 -0.04 2.70 2.85 1ozhA1 GLY 533 H -0.03 0.49 -0.06 -0.55 8.43 8.29 1ozhA1 GLY 533 HA2 -0.14 0.15 0.01 -0.51 4.01 3.53 1ozhA1 GLY 533 HA3 -0.05 0.07 0.53 -0.51 4.01 4.06 1ozhA1 PRO 534 HA -0.06 0.33 0.72 -0.51 4.44 4.92 1ozhA1 PRO 534 HB2 -0.04 -0.11 -0.01 -0.04 2.28 2.08 1ozhA1 PRO 534 HB3 -0.10 -0.03 0.06 -0.04 2.02 1.92 1ozhA1 PRO 534 HG2 -0.02 -0.06 0.11 -0.04 2.03 2.02 1ozhA1 PRO 534 HG3 -0.06 -0.05 -0.20 -0.04 2.03 1.69 1ozhA1 PRO 534 HD2 -0.06 0.10 0.19 -0.04 3.68 3.87 1ozhA1 PRO 534 HD3 -0.17 0.23 0.04 -0.04 3.65 3.71 1ozhA1 ALA 535 H 0.03 0.56 0.50 -0.55 8.40 8.95 1ozhA1 ALA 535 HA 0.12 0.19 0.92 -0.75 4.34 4.82 1ozhA1 ALA 535 HB3 0.17 0.01 0.01 -0.04 1.41 1.55 1ozhA1 VAL 536 H 0.19 0.77 0.39 -0.55 8.24 9.04 1ozhA1 VAL 536 HA 0.09 0.31 1.13 -0.75 4.13 4.91 1ozhA1 VAL 536 HB 0.11 -0.03 0.14 -0.04 2.12 2.30 1ozhA1 VAL 536 HG13 -0.06 -0.04 -0.19 -0.04 0.97 0.64 1ozhA1 VAL 536 HG23 0.11 -0.00 -0.17 -0.04 0.95 0.85 1ozhA1 VAL 537 H -0.00 0.68 0.32 -0.55 8.24 8.68 1ozhA1 VAL 537 HA 0.13 0.20 1.06 -0.75 4.13 4.77 1ozhA1 VAL 537 HB -0.06 -0.02 0.06 -0.04 2.12 2.05 1ozhA1 VAL 537 HG13 -0.04 -0.02 -0.27 -0.04 0.97 0.59 1ozhA1 VAL 537 HG23 -0.10 0.03 -0.26 -0.04 0.95 0.57 1ozhA1 ALA 538 H 0.05 0.66 0.31 -0.55 8.40 8.87 1ozhA1 ALA 538 HA -0.17 0.06 0.79 -0.75 4.34 4.27 1ozhA1 ALA 538 HB3 0.09 -0.04 0.15 -0.04 1.41 1.58 1ozhA1 ILE 539 H -0.13 0.68 0.35 -0.55 8.25 8.61 1ozhA1 ILE 539 HA -0.07 0.22 1.09 -0.75 4.18 4.66 1ozhA1 ILE 539 HB -0.35 -0.06 0.13 -0.04 1.89 1.58 1ozhA1 ILE 539 HG12 -0.13 0.04 -0.22 -0.04 1.49 1.14 1ozhA1 ILE 539 HG13 -0.13 -0.04 -0.60 -0.04 1.21 0.40 1ozhA1 ILE 539 HG23 -0.33 0.02 -0.12 -0.04 0.93 0.46 1ozhA1 ILE 539 HD13 -0.19 0.00 -0.14 -0.04 0.88 0.51 1ozhA1 PRO 540 HA -0.14 0.10 0.64 -0.51 4.44 4.53 1ozhA1 PRO 540 HB2 -0.41 -0.08 0.13 -0.04 2.28 1.87 1ozhA1 PRO 540 HB3 -0.24 0.04 0.12 -0.04 2.02 1.91 1ozhA1 PRO 540 HG2 0.19 0.14 0.12 -0.04 2.03 2.43 1ozhA1 PRO 540 HG3 0.03 -0.05 0.07 -0.04 2.03 2.05 1ozhA1 PRO 540 HD2 0.16 0.20 0.28 -0.04 3.68 4.28 1ozhA1 PRO 540 HD3 0.05 0.11 0.05 -0.04 3.65 3.82 1ozhA1 VAL 541 H -0.26 0.59 0.40 -0.55 8.24 8.42 1ozhA1 VAL 541 HA -0.40 0.29 0.92 -0.75 4.13 4.18 1ozhA1 VAL 541 HB -0.54 0.06 -0.15 -0.04 2.12 1.45 1ozhA1 VAL 541 HG13 -0.54 -0.02 -0.22 -0.04 0.97 0.15 1ozhA1 VAL 541 HG23 -0.54 0.00 -0.25 -0.04 0.95 0.13 1ozhA1 ASP 542 H -0.34 0.87 0.10 -0.55 8.40 8.48 1ozhA1 ASP 542 HA -0.16 0.08 0.78 -0.75 4.63 4.57 1ozhA1 ASP 542 HB2 -0.18 0.12 -0.10 -0.04 2.71 2.51 1ozhA1 ASP 542 HB3 -0.19 0.04 0.07 -0.04 2.70 2.58 1ozhA1 TYR 543 H 0.04 0.25 0.11 -0.55 8.29 8.14 1ozhA1 TYR 543 HA 0.04 0.19 0.77 -0.75 4.56 4.82 1ozhA1 TYR 543 HB2 0.05 0.07 0.08 -0.04 3.06 3.22 1ozhA1 TYR 543 HB3 0.11 0.00 0.15 -0.04 2.98 3.20 1ozhA1 TYR 543 HD2 0.15 0.07 -0.03 -0.04 7.15 7.30 1ozhA1 TYR 543 HE2 0.35 -0.02 -0.08 -0.04 6.85 7.06 1ozhA1 ARG 544 H 0.06 0.14 -0.22 -0.55 8.46 7.89 1ozhA1 ARG 544 HA 0.10 0.13 0.43 -0.75 4.34 4.24 1ozhA1 ARG 544 HB2 0.04 -0.00 0.04 -0.04 1.90 1.95 1ozhA1 ARG 544 HB3 0.06 0.09 0.04 -0.04 1.80 1.95 1ozhA1 ARG 544 HG2 0.04 0.05 0.04 -0.04 1.67 1.77 1ozhA1 ARG 544 HG3 0.04 -0.11 0.03 -0.04 1.67 1.59 1ozhA1 ARG 544 HD2 0.03 0.05 0.01 -0.04 3.22 3.27 1ozhA1 ARG 544 HD3 0.01 0.03 0.01 -0.04 3.22 3.23 1ozhA1 ASP 545 H 0.13 0.10 -0.33 -0.55 8.40 7.75 1ozhA1 ASP 545 HA 0.16 0.22 0.70 -0.75 4.63 4.96 1ozhA1 ASP 545 HB2 0.16 -0.02 0.05 -0.04 2.71 2.87 1ozhA1 ASP 545 HB3 0.41 0.02 0.10 -0.04 2.70 3.18 1ozhA1 ASN 546 H 0.26 0.43 -0.38 -0.55 8.53 8.29 1ozhA1 ASN 546 HA 0.30 -0.01 0.35 -0.75 4.76 4.65 1ozhA1 ASN 546 HB2 0.13 0.28 0.15 -0.04 2.88 3.39 1ozhA1 ASN 546 HB3 0.03 -0.05 -0.01 -0.04 2.79 2.73 1ozhA1 ASN 546 HD21 -0.97 -0.12 -0.02 -0.04 7.03 5.87 1ozhA1 ASN 546 HD22 -0.33 -0.01 -0.01 -0.04 7.74 7.36 1ozhA1 PRO 547 HA -0.00 0.06 0.40 -0.51 4.44 4.39 1ozhA1 PRO 547 HB2 0.04 0.06 -0.02 -0.04 2.28 2.32 1ozhA1 PRO 547 HB3 0.02 0.08 0.04 -0.04 2.02 2.11 1ozhA1 PRO 547 HG2 0.04 0.10 0.04 -0.04 2.03 2.17 1ozhA1 PRO 547 HG3 0.03 -0.01 0.00 -0.04 2.03 2.01 1ozhA1 PRO 547 HD2 0.10 0.30 -0.23 -0.04 3.68 3.82 1ozhA1 PRO 547 HD3 0.09 0.05 -0.03 -0.04 3.65 3.71 1ozhA1 LEU 548 H 0.09 0.33 -0.32 -0.55 8.37 7.92 1ozhA1 LEU 548 HA 0.03 0.08 0.38 -0.75 4.35 4.09 1ozhA1 LEU 548 HB2 0.13 0.09 0.14 -0.04 1.64 1.96 1ozhA1 LEU 548 HB3 0.07 0.02 0.00 -0.04 1.64 1.69 1ozhA1 LEU 548 HG 0.12 -0.04 0.11 -0.04 1.64 1.79 1ozhA1 LEU 548 HD13 0.16 -0.01 0.03 -0.04 0.93 1.07 1ozhA1 LEU 548 HD23 0.06 0.00 -0.00 -0.04 0.89 0.91 1ozhA1 LEU 549 H -0.05 0.22 -0.12 -0.55 8.37 7.87 1ozhA1 LEU 549 HA -0.19 0.11 0.42 -0.75 4.35 3.95 1ozhA1 LEU 549 HB2 -0.90 -0.01 0.05 -0.04 1.64 0.73 1ozhA1 LEU 549 HB3 -0.47 0.02 0.11 -0.04 1.64 1.26 1ozhA1 LEU 549 HG -0.31 -0.01 -0.27 -0.04 1.64 1.00 1ozhA1 LEU 549 HD13 -0.36 0.03 -0.01 -0.04 0.93 0.54 1ozhA1 LEU 549 HD23 -1.66 -0.03 -0.20 -0.04 0.89 -1.04 1ozhA1 MET 550 H -0.09 0.62 -0.11 -0.55 8.47 8.35 1ozhA1 MET 550 HA -0.09 -0.03 0.40 -0.75 4.52 4.04 1ozhA1 MET 550 HB2 -0.05 0.00 0.06 -0.04 2.15 2.12 1ozhA1 MET 550 HB3 -0.07 0.00 0.06 -0.04 2.03 1.98 1ozhA1 MET 550 HG2 -0.07 0.37 -0.01 -0.04 2.63 2.87 1ozhA1 MET 550 HG3 -0.07 -0.07 -0.09 -0.04 2.56 2.30 1ozhA1 MET 550 HE3 -0.22 0.01 -0.05 -0.04 2.10 1.80 1ozhA1 GLY 551 H -0.03 0.34 -0.68 -0.55 8.43 7.51 1ozhA1 GLY 551 HA2 -0.02 0.05 0.48 -0.51 4.01 4.01 1ozhA1 GLY 551 HA3 -0.01 0.07 0.31 -0.51 4.01 3.87 1ozhA1 GLN 552 H -0.01 0.45 -0.40 -0.55 8.47 7.96 1ozhA1 GLN 552 HA 0.01 0.18 0.75 -0.75 4.36 4.55 1ozhA1 GLN 552 HB2 0.08 0.14 0.12 -0.04 2.15 2.45 1ozhA1 GLN 552 HB3 0.05 -0.15 0.17 -0.04 2.02 2.05 1ozhA1 GLN 552 HG2 -0.03 0.01 -0.03 -0.04 2.40 2.30 1ozhA1 GLN 552 HG3 -0.04 0.10 -0.02 -0.04 2.39 2.40 1ozhA1 GLN 552 HE21 -0.10 -0.02 -0.04 -0.04 6.97 6.77 1ozhA1 GLN 552 HE22 -0.07 0.06 -0.08 -0.04 7.69 7.56 1ozhA1 LEU 553 H -0.02 0.34 -0.31 -0.55 8.37 7.83 1ozhA1 LEU 553 HA -0.18 0.22 0.84 -0.75 4.35 4.48 1ozhA1 LEU 553 HB2 -0.08 0.12 0.13 -0.04 1.64 1.77 1ozhA1 LEU 553 HB3 -0.14 -0.14 0.18 -0.04 1.64 1.50 1ozhA1 LEU 553 HG -0.09 0.06 -0.01 -0.04 1.64 1.56 1ozhA1 LEU 553 HD13 -0.15 -0.01 0.03 -0.04 0.93 0.76 1ozhA1 LEU 553 HD23 -0.49 -0.00 -0.08 -0.04 0.89 0.27 1ozhA1 HIS 554 H -0.10 0.56 0.25 -0.55 8.41 8.58 1ozhA1 HIS 554 HA 0.02 0.13 0.44 -0.75 4.63 4.46 1ozhA1 HIS 554 HB2 0.00 0.03 0.06 -0.04 3.26 3.31 1ozhA1 HIS 554 HB3 0.04 0.02 -0.07 -0.04 3.20 3.14 1ozhA1 HIS 554 HD2 0.09 0.01 -0.48 -0.04 6.97 6.55 1ozhA1 HIS 554 HE1 0.12 0.04 -0.03 -0.04 7.75 7.84 1ozhA1 LEU 555 H 0.01 0.09 -0.06 -0.55 8.37 7.86 1ozhA1 LEU 555 HA 0.00 0.11 0.33 -0.75 4.35 4.04 1ozhA1 LEU 555 HB2 -0.05 -0.02 0.11 -0.04 1.64 1.64 1ozhA1 LEU 555 HB3 -0.06 -0.05 0.04 -0.04 1.64 1.53 1ozhA1 LEU 555 HG -0.05 0.08 -0.27 -0.04 1.64 1.36 1ozhA1 LEU 555 HD13 -0.04 0.05 0.03 -0.04 0.93 0.92 1ozhA1 LEU 555 HD23 -0.08 -0.02 -0.02 -0.04 0.89 0.72 1ozhA1 SER 556 H -0.01 0.15 -0.61 -0.55 8.46 7.44 1ozhA1 SER 556 HA -0.02 0.01 0.31 -0.75 4.49 4.04 1ozhA1 SER 556 HB2 0.01 0.13 0.04 -0.04 3.95 4.09 1ozhA1 SER 556 HB3 -0.00 -0.03 0.02 -0.04 3.93 3.87 1ozhA1 GLN 557 H 0.05 0.36 -0.18 -0.55 8.47 8.16 1ozhA1 GLN 557 HA 0.02 0.06 0.59 -0.75 4.36 4.27 1ozhA1 GLN 557 HB2 0.08 0.08 0.12 -0.04 2.15 2.39 1ozhA1 GLN 557 HB3 0.04 -0.05 0.03 -0.04 2.02 2.00 1ozhA1 GLN 557 HG2 0.07 -0.02 0.03 -0.04 2.40 2.44 1ozhA1 GLN 557 HG3 0.04 -0.01 0.01 -0.04 2.39 2.39 1ozhA1 GLN 557 HE21 0.02 0.09 -0.03 -0.04 6.97 7.02 1ozhA1 GLN 557 HE22 0.03 -0.01 -0.10 -0.04 7.69 7.57 1ozhA1 ILE 558 H 0.03 0.35 -0.25 -0.55 8.25 7.82 1ozhA1 ILE 558 HA -0.00 0.11 0.42 -0.75 4.18 3.95 1ozhA1 ILE 558 HB 0.00 -0.07 0.05 -0.04 1.89 1.83 1ozhA1 ILE 558 HG12 -0.00 0.03 -0.15 -0.04 1.49 1.32 1ozhA1 ILE 558 HG13 0.04 0.20 -0.26 -0.04 1.21 1.15 1ozhA1 ILE 558 HG23 -0.01 -0.01 0.00 -0.04 0.93 0.87 1ozhA1 ILE 558 HD13 0.02 -0.04 -0.14 -0.04 0.88 0.68